A0A077ZJ82_TRITR Loading...

Glutathione-binding protein GsiB

Part of the ABC transporter complex GsiABCD involved in glutathione import. Binds glutathione.

AlphaFold DB , UniProt , Accession A0A077ZJ82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.6	Very low	66.7	Low	244 Å²	244	102.7 Å²	102.7	100%	1.202	64%	0.64	S	S	*	*				0	105.3	0	-77	-170.2	-95.9	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 2.8Å
2	A	38.4	Very low	69.4	Low	105 Å²	105	96.8 Å²	96.8	87%	0.868	60%	0.602	S	S	*	*			trans	-69.7	111	169.1	0	0	0	0	0	106.7	C4	A2-C4 PolarHBondContact O-N 3.01Å
3	S	40.1	Very low	71.6	Confident	108 Å²	108	89.3 Å²	89.3	76%	0.755	56%	0.556	S	S	*	*			trans	-64.2	119.1	170.1	61.1	0	0	0	0	107.1	M1 A5	M1-S3 PolarHBondContact O-N 2.8Å; S3-A5 PolarHBondContact O-N 3.29Å
4	C	42.2	Very low	73.5	Confident	112 Å²	112	82.9 Å²	82.9	76%	0.757	52%	0.516	S	S	*	.			trans	-55.5	107.3	160.4	-77.6	0	0	0	0	106.6	A2 F6	A2-C4 PolarHBondContact O-N 3.01Å; C4-F6 PolarHBondContact O-N 3.4Å
5	A	47	Very low	74.9	Confident	92 Å²	92	77.5 Å²	77.5	76%	0.76	48%	0.482	S	S	*	.			trans	-61.6	106.6	165.7	0	0	0	0	0	105.7	S3 A7	S3-A5 PolarHBondContact O-N 3.29Å; A5-A7 PolarHBondContact O-N 3.32Å; A5-A7 VanDerWaalsContact O-N 3.13Å
6	F	63.2	Low	75.8	Confident	190 Å²	190	74.3 Å²	74.3	83%	0.833	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-58.2	118.8	169	-89	-91.2	0	0	0	106.7	C4 A8	C4-F6 PolarHBondContact O-N 3.4Å; F6-A8 PolarHBondContact O-N 2.9Å
7	A	79.1	Confident	76.5	Confident	80 Å²	80	73.5 Å²	73.5	66%	0.661	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-61.3	132.4	175.6	0	0	0	0	0	108.6	A5 K9	A5-A7 PolarHBondContact O-N 3.32Å; A5-A7 VanDerWaalsContact O-N 3.13Å; A7-K9 PolarHBondContact O-N 3.38Å
8	A	90.8	Very high	77.3	Confident	66 Å²	66	73.9 Å²	73.9	55%	0.545	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-59.4	130.9	177.6	0	0	0	0	0	110.1	F6 D197	F6-A8 PolarHBondContact O-N 2.9Å; A8-D197 WeakPolarHBondContact CA-OD2 3.42Å
9	K	96.9	Very high	78	Confident	53 Å²	53	70.8 Å²	70.8	23%	0.23	44%	0.444	C	S	.	.			trans	-102.4	73.3	-178.5	-65.9	-174	175.6	-172.3	0	110	A7 K195 L196 D197 D491 L492	A7-K9 PolarHBondContact O-N 3.38Å; K9-K195 WeakPolarHBondContact CD-O 3.44Å; K9-L196 HydrophobicContact CB-CD2 4.07Å; K9-L196 WeakPolarHBondContact O-CA 3.36Å; K9-D197 PolarHBondContact N-OD2 3.39Å; K9-D197 PolarHBondContact O-N 2.91Å; K9-D491 IonicContact NZ-OD1 2.65Å; K9-D491 PolarHBondContact NZ-OD1 3.22Å; K9-D491 IonicContact NZ-OD2 3.93Å; K9-L492 HydrophobicContact CB-CB 4.19Å; K9-L492 HydrophobicContact CD-CB 4.34Å; K9-L492 WeakPolarHBondContact CE-O 3.36Å; K9-L492 HydrophobicContact CG-CB 4.16Å; K9-L492 PolarHBondContact NZ-O 2.69Å
10	D	97.9	Very high	78.7	Confident	80 Å²	80	71.2 Å²	71.2	43%	0.428	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	178.6	-61	-56.2	0	0	0	110.8	S198	D10-S198 VanDerWaalsContact OD1-CB 3.29Å; D10-S198 WeakPolarHBondContact OD1-CB 3.38Å; D10-S198 PolarHBondContact OD1-OG 3.2Å
11	V	98.4	Very high	79.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.9	-178.8	167.7	0	0	0	0	110.6	V13 L196 S198 I199 T200 Q220 L474 L492	V11-V13 HydrophobicContact CG1-CG2 3.97Å; V11-L196 HydrophobicContact CB-CD1 4.09Å; V11-L196 HydrophobicContact CG2-CD1 3.78Å; V11-L196 HydrophobicContact CG2-CD2 3.87Å; V11-L196 HydrophobicContact CG2-CG 4.42Å; V11-S198 PolarHBondContact N-O 2.86Å; V11-S198 VanDerWaalsContact N-O 3.07Å; V11-I199 CarbonylContact O-C 3.42Å; V11-I199 WeakPolarHBondContact O-CA 3.24Å; V11-T200 PolarHBondContact O-N 3.2Å; V11-Q220 HydrophobicContact CG1-CB 4.22Å; V11-L474 HydrophobicContact CG1-CD1 4.37Å; V11-L474 HydrophobicContact CG1-CD2 4.11Å; V11-L474 HydrophobicContact CG2-CD1 3.84Å; V11-L492 HydrophobicContact CG2-CD1 3.99Å
12	V	98.7	Very high	82.3	Confident	31 Å²	31	56.8 Å²	56.8	19%	0.188	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	169.8	-179.7	0	0	0	0	109.3	T200 R202 M213 E218 A219 Q220 F221	V12-T200 WeakPolarHBondContact CA-O 3.37Å; V12-R202 HydrophobicContact CG1-CB 4.44Å; V12-M213 HydrophobicContact CG1-CE 4.45Å; V12-E218 WeakPolarHBondContact CB-O 3.37Å; V12-A219 HydrophobicContact CB-CB 4.35Å; V12-A219 HydrophobicContact CG1-CB 4.12Å; V12-A219 WeakPolarHBondContact O-CB 3.33Å; V12-Q220 PolarHBondContact O-N 2.98Å; V12-F221 PolarHBondContact O-N 2.65Å
13	V	98.7	Very high	85.2	Confident	0 Å²	0	52 Å²	52	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.5	178.9	-175	0	0	0	0	109.2	V11 V15 I199 T200 W201 R202 F221 F477	V11-V13 HydrophobicContact CG1-CG2 3.97Å; V13-V15 HydrophobicContact CG1-CG1 4Å; V13-I199 HydrophobicContact CG2-CG2 3.79Å; V13-T200 PolarHBondContact N-O 3.24Å; V13-W201 HydrophobicContact CB-CD2 4.43Å; V13-W201 HydrophobicContact CB-CE3 3.71Å; V13-W201 HydrophobicContact CB-CZ3 4.05Å; V13-W201 HydrophobicContact CG1-CE3 3.68Å; V13-W201 HydrophobicContact CG1-CZ3 3.7Å; V13-W201 HydrophobicContact CG2-CE3 4.12Å; V13-W201 HydrophobicContact CG2-CZ3 4.14Å; V13-R202 PolarHBondContact O-N 3.01Å; V13-F221 CarbonylContact C-O 3.55Å; V13-F221 WeakPolarHBondContact CA-O 3.43Å; V13-F221 HydrophobicContact CG1-CB 4.17Å; V13-F221 HydrophobicContact CG1-CD1 3.9Å; V13-F221 HydrophobicContact CG1-CG 4.41Å; V13-F221 HydrophobicContact CG2-CB 4.27Å; V13-F477 HydrophobicContact CG1-CZ 4.41Å; V13-F477 HydrophobicContact CG2-CE2 4.05Å; V13-F477 HydrophobicContact CG2-CZ 3.76Å
14	A	98.1	Very high	87.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.2	179	0	0	0	0	0	111	R202 V204 R210 M213 A219 F221 A222 F223	A14-R202 WeakPolarHBondContact CA-O 3.22Å; A14-V204 HydrophobicContact CB-CG2 4.13Å; A14-R210 HydrophobicContact CB-CG 3.79Å; A14-M213 HydrophobicContact CB-CE 3.71Å; A14-M213 HydrophobicContact CB-SD 4.08Å; A14-A219 HydrophobicContact CB-CB 4.08Å; A14-F221 PolarHBondContact N-O 2.81Å; A14-A222 HydrophobicContact CB-CB 4.01Å; A14-A222 WeakPolarHBondContact O-CA 3.31Å; A14-F223 PolarHBondContact O-N 3.48Å
15	V	95.2	Very high	90.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	157.6	-175.4	-59.5	0	0	0	0	111.8	V13 S17 F19 L31 W201 R202 P203 V204 F223 F485	V13-V15 HydrophobicContact CG1-CG1 4Å; V15-S17 PolarHBondContact O-N 2.78Å; V15-F19 HydrophobicContact CG2-CE1 3.91Å; V15-F19 HydrophobicContact CG2-CZ 3.8Å; V15-L31 HydrophobicContact CB-CD1 3.86Å; V15-L31 HydrophobicContact CB-CD2 4.21Å; V15-L31 HydrophobicContact CG1-CD1 3.91Å; V15-L31 HydrophobicContact CG2-CD1 4.19Å; V15-L31 HydrophobicContact CG2-CD2 4.08Å; V15-W201 HydrophobicContact CG1-CE3 4.28Å; V15-R202 PolarHBondContact N-O 2.88Å; V15-P203 HydrophobicContact CG2-CG 4.38Å; V15-P203 CarbonylContact O-C 3.56Å; V15-V204 PolarHBondContact O-N 2.85Å; V15-F223 WeakPolarHBondContact CA-O 3.46Å; V15-F485 HydrophobicContact CG1-CE2 4.36Å; V15-F485 HydrophobicContact CG1-CZ 3.91Å
16	G	88.6	Confident	92.9	Very high	26 Å²	26	39.1 Å²	39.1	27%	0.268	23%	0.233	S	C	.	.	S	Bend	trans	-76.9	-12.9	-169.3	0	0	0	0	0	116.9	F223	G16-F223 PolarHBondContact N-O 3.15Å
17	S	87.6	Confident	94.3	Very high	61 Å²	61	30.1 Å²	30.1	43%	0.427	19%	0.193	S	C	.	.	S	Bend	trans	-154.2	161.3	-169.3	42.5	0	0	0	0	112.3	V15 L31 P203	V15-S17 PolarHBondContact O-N 2.78Å; S17-L31 VanDerWaalsContact O-CD2 3.26Å; S17-L31 WeakPolarHBondContact O-CD2 3.32Å; S17-L31 WeakPolarHBondContact OG-CD2 3.39Å; S17-P203 WeakPolarHBondContact O-CB 3.48Å
18	N	90.2	Very high	94.6	Very high	82 Å²	82	30.6 Å²	30.6	44%	0.439	19%	0.185	S	C	.	.			trans	-67.6	160.4	172	-77	-24.1	0	0	0	112.1	T177 P203	N18-T177 PolarHBondContact OD1-O 3.18Å; N18-P203 WeakPolarHBondContact OD1-CB 3.43Å; N18-P203 WeakPolarHBondContact OD1-CG 3.41Å
19	F	92.1	Very high	94.3	Very high	15 Å²	15	29.5 Å²	29.5	7%	0.066	17%	0.17	C	C	.	.			trans	-89	142.6	176.5	-44.8	-65.3	0	0	0	110.5	V15 L31 S32 V35 W174 V180 W201 P203	V15-F19 HydrophobicContact CG2-CE1 3.91Å; V15-F19 HydrophobicContact CG2-CZ 3.8Å; F19-L31 HydrophobicContact CD1-CD2 4.38Å; F19-L31 HydrophobicContact CD1-CG 4.12Å; F19-L31 HydrophobicContact CE1-CD1 4.2Å; F19-L31 HydrophobicContact CE1-CD2 4.18Å; F19-L31 HydrophobicContact CE1-CG 3.97Å; F19-S32 WeakPolarHBondContact CA-OG 3.45Å; F19-V35 HydrophobicContact CD1-CB 4.38Å; F19-V35 HydrophobicContact CD1-CG2 4.03Å; F19-V35 HydrophobicContact CE1-CB 4.21Å; F19-V35 HydrophobicContact CE1-CG1 4.44Å; F19-V35 HydrophobicContact CE1-CG2 3.43Å; F19-V35 VanDerWaalsContact CE1-CG2 3.43Å; F19-V35 HydrophobicContact CZ-CG2 4.08Å; F19-W174 HydrophobicContact CB-CZ2 4.02Å; F19-V180 HydrophobicContact CD2-CB 4.39Å; F19-V180 HydrophobicContact CD2-CG2 3.38Å; F19-V180 HydrophobicContact CE2-CB 4.05Å; F19-V180 HydrophobicContact CE2-CG2 3.51Å; F19-V180 HydrophobicContact CG-CG2 4.2Å; F19-V180 HydrophobicContact CZ-CG2 4.45Å; F19-W201 HydrophobicContact CE1-CB 4.48Å; F19-W201 HydrophobicContact CE2-CB 4.29Å; F19-W201 HydrophobicContact CZ-CB 3.67Å; F19-P203 HydrophobicContact CD2-CG 4.17Å; F19-P203 HydrophobicContact CE2-CG 3.59Å; F19-P203 HydrophobicContact CZ-CG 3.87Å
20	T	91.7	Very high	93.9	Very high	77 Å²	77	28.3 Å²	28.3	47%	0.472	17%	0.167	S	C	.	.			trans	-89.6	-44.7	-179.2	58.5	0	0	0	0	112	D29 S32	T20-D29 WeakPolarHBondContact CB-OD1 3.29Å; T20-D29 WeakPolarHBondContact CG2-OD1 3.37Å; T20-D29 PolarHBondContact OG1-OD1 3.26Å; T20-S32 PolarHBondContact N-OG 3.09Å; T20-S32 PolarHBondContact OG1-OG 3.23Å
21	T	95.9	Very high	93.5	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.08	15%	0.152	C	C	.	.			trans	-162.9	152.6	178.6	178	0	0	0	0	108.5	D23 D26 A27 S32 G160	T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 WeakPolarHBondContact CG2-O 3.42Å; T21-D23 PolarHBondContact OG1-N 2.99Å; T21-D23 VanDerWaalsContact OG1-N 3.08Å; T21-D26 HydrophobicContact CG2-CB 4.26Å; T21-A27 HydrophobicContact CG2-CB 3.76Å; T21-S32 WeakPolarHBondContact O-CB 3.48Å; T21-G160 WeakPolarHBondContact OG1-CA 3.35Å
22	L	97.9	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-90.9	2.3	169.9	-57	178.8	0	0	0	112.3	P24 V35 F39 Y40 G160 P163 L171 W174 V180	L22-P24 VanDerWaalsContact O-CD 3.28Å; L22-P24 WeakPolarHBondContact O-CD 3.41Å; L22-V35 HydrophobicContact CD2-CG1 4.32Å; L22-F39 HydrophobicContact CB-CE2 3.9Å; L22-F39 HydrophobicContact CB-CZ 4.25Å; L22-F39 HydrophobicContact CD1-CE2 4.25Å; L22-F39 HydrophobicContact CD1-CZ 3.79Å; L22-F39 HydrophobicContact CD2-CE2 4.21Å; L22-F39 HydrophobicContact CD2-CZ 3.87Å; L22-F39 HydrophobicContact CG-CE2 4.34Å; L22-F39 HydrophobicContact CG-CZ 4.18Å; L22-Y40 VanDerWaalsContact O-CE2 3.29Å; L22-Y40 WeakPolarHBondContact O-CE2 3.38Å; L22-G160 WeakPolarHBondContact CA-O 3.27Å; L22-G160 WeakPolarHBondContact CB-O 3.3Å; L22-G160 PolarHBondContact N-O 2.89Å; L22-P163 HydrophobicContact CB-CB 4.31Å; L22-P163 HydrophobicContact CB-CG 4.06Å; L22-P163 HydrophobicContact CD1-CG 3.88Å; L22-L171 HydrophobicContact CD1-CD1 4.37Å; L22-W174 HydrophobicContact CD1-CD2 4.03Å; L22-W174 HydrophobicContact CD1-CE3 3.54Å; L22-W174 HydrophobicContact CD1-CZ3 4Å; L22-W174 HydrophobicContact CG-CD2 4.37Å; L22-W174 HydrophobicContact CG-CE3 3.79Å; L22-W174 HydrophobicContact CG-CH2 4.23Å; L22-W174 HydrophobicContact CG-CZ3 3.72Å; L22-V180 HydrophobicContact CD1-CG1 4.43Å; L22-V180 HydrophobicContact CD2-CG2 4.31Å
23	D	98.3	Very high	93.2	Very high	5 Å²	5	24 Å²	24	3%	0.027	14%	0.143	C	C	.	.			trans	-86.1	108.8	168.4	176.6	9.5	0	0	0	110.5	T21 Y25 D26 A27 R96 I159	T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 WeakPolarHBondContact CG2-O 3.42Å; T21-D23 PolarHBondContact OG1-N 2.99Å; T21-D23 VanDerWaalsContact OG1-N 3.08Å; D23-Y25 PolarHBondContact O-N 2.82Å; D23-Y25 WeakPolarHBondContact OD1-CD2 3.27Å; D23-Y25 PolarHBondContact OD1-N 3.42Å; D23-Y25 VanDerWaalsContact OD1-N 3.11Å; D23-D26 HydrophobicContact CB-CB 4.43Å; D23-D26 PolarHBondContact O-N 3.3Å; D23-A27 PolarHBondContact O-N 3.38Å; D23-R96 IonicContact OD1-NH1 3.24Å; D23-R96 PolarHBondContact OD1-NH1 2.96Å; D23-R96 IonicContact OD2-CZ 2.83Å; D23-R96 IonicContact OD2-NH1 2.67Å; D23-R96 PolarHBondContact OD2-NH1 3.25Å; D23-R96 IonicContact OD2-NH2 3.36Å; D23-R96 PolarHBondContact OD2-NH2 2.87Å; D23-I159 HydrophobicContact CB-CG2 4.37Å
24	P	97.8	Very high	93	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25.6	-174.5	-24.4	38.6	0	0	0	114	L22 D26 A36 Y40 P142 A143 A145	L22-P24 VanDerWaalsContact O-CD 3.28Å; L22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-D26 PolarHBondContact O-N 2.73Å; P24-A36 HydrophobicContact CG-CB 3.78Å; P24-Y40 HydrophobicContact CG-CD2 3.66Å; P24-Y40 HydrophobicContact CG-CE2 4.09Å; P24-Y40 HydrophobicContact CG-CG 4.5Å; P24-P142 WeakPolarHBondContact CB-O 3.5Å; P24-A143 WeakPolarHBondContact O-CB 3.35Å; P24-A145 HydrophobicContact CB-CB 4.13Å; P24-A145 HydrophobicContact CG-CB 3.7Å
25	Y	97.8	Very high	92.9	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-70.7	-21.3	176.4	-65	-83.9	0	0	0	112.6	D23 A97 R106 Y110 A143 A145 I147	D23-Y25 PolarHBondContact O-N 2.82Å; D23-Y25 WeakPolarHBondContact OD1-CD2 3.27Å; D23-Y25 PolarHBondContact OD1-N 3.42Å; D23-Y25 VanDerWaalsContact OD1-N 3.11Å; Y25-A97 HydrophobicContact CD1-CB 3.53Å; Y25-A97 HydrophobicContact CE1-CB 3.44Å; Y25-A97 VanDerWaalsContact CE1-CB 3.44Å; Y25-A97 HydrophobicContact CG-CB 4.48Å; Y25-R106 VanDerWaalsContact O-CB 3.29Å; Y25-R106 WeakPolarHBondContact O-CB 3.48Å; Y25-R106 WeakPolarHBondContact O-CG 3.41Å; Y25-R106 PolarHBondContact O-N 3.35Å; Y25-R106 VanDerWaalsContact O-N 3.09Å; Y25-Y110 HydrophobicContact CD1-CD2 4.37Å; Y25-Y110 AromaticContact CD1-CE2 3.58Å; Y25-Y110 HydrophobicContact CD1-CE2 3.58Å; Y25-Y110 AromaticContact CD1-CZ 3.71Å; Y25-Y110 HydrophobicContact CE1-CE1 4.05Å; Y25-Y110 AromaticContact CE1-CE2 3.88Å; Y25-Y110 HydrophobicContact CE1-CE2 3.88Å; Y25-Y110 AromaticContact CE1-CZ 3.55Å; Y25-A143 WeakPolarHBondContact CD1-O 3.4Å; Y25-A143 WeakPolarHBondContact CE1-O 3.4Å; Y25-A145 HydrophobicContact CE2-CB 4.37Å; Y25-A145 WeakPolarHBondContact CE2-O 3.21Å; Y25-A145 VanDerWaalsContact CZ-O 3.29Å; Y25-A145 PolarHBondContact OH-N 2.99Å; Y25-A145 PolarHBondContact OH-O 3.1Å; Y25-I147 HydrophobicContact CD2-CD1 3.87Å; Y25-I147 HydrophobicContact CE2-CD1 3.93Å; Y25-I147 HydrophobicContact CE2-CG1 4.25Å
26	D	96.9	Very high	93	Very high	40 Å²	40	24.1 Å²	24.1	21%	0.214	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-110.4	5.7	-179.9	-159.2	52.2	0	0	0	114.2	T21 D23 P24 L104 K105	T21-D26 HydrophobicContact CG2-CB 4.26Å; D23-D26 HydrophobicContact CB-CB 4.43Å; D23-D26 PolarHBondContact O-N 3.3Å; P24-D26 PolarHBondContact O-N 2.73Å; D26-L104 HydrophobicContact CB-CD2 3.99Å; D26-K105 VanDerWaalsContact O-CD 3.27Å; D26-K105 WeakPolarHBondContact O-CD 3.31Å; D26-K105 PolarHBondContact O-NZ 2.95Å; D26-K105 WeakPolarHBondContact OD1-CG 3.45Å; D26-K105 PolarHBondContact OD1-N 3.44Å; D26-K105 IonicContact OD1-NZ 3.47Å; D26-K105 IonicContact OD2-NZ 3.91Å; D26-K105 PolarHBondContact OD2-NZ 3.26Å
27	A	91.2	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.			trans	-94.9	129.1	176.4	0	0	0	0	0	111.3	T21 D23 Q33 R106	T21-A27 HydrophobicContact CG2-CB 3.76Å; D23-A27 PolarHBondContact O-N 3.38Å; A27-Q33 HydrophobicContact CB-CG 3.72Å; A27-Q33 PolarHBondContact O-NE2 3.09Å; A27-R106 VanDerWaalsContact O-CZ 3.24Å; A27-R106 PolarHBondContact O-NE 3.48Å; A27-R106 PolarHBondContact O-NH2 3.26Å
28	N	86.3	Confident	93.9	Very high	91 Å²	91	22.9 Å²	22.9	49%	0.487	12%	0.123	S	C	.	.			trans	-92.9	-19.6	174.7	-91.5	-13.6	0	0	0	114.3	K105 R106	N28-K105 HydrophobicContact CB-CD 4.43Å; N28-R106 PolarHBondContact O-NH2 3.3Å; N28-R106 PolarHBondContact OD1-NE 3.41Å; N28-R106 PolarHBondContact OD1-NH1 3.12Å
29	D	84.5	Confident	94.2	Very high	42 Å²	42	19 Å²	19	23%	0.225	10%	0.102	C	C	.	.	S	Bend	trans	-97.4	141.3	179.9	62	-71	0	0	0	111.6	T20 L31 S32 Q33	T20-D29 WeakPolarHBondContact CB-OD1 3.29Å; T20-D29 WeakPolarHBondContact CG2-OD1 3.37Å; T20-D29 PolarHBondContact OG1-OD1 3.26Å; D29-L31 VanDerWaalsContact C-N 3.26Å; D29-L31 PolarHBondContact O-N 2.97Å; D29-S32 VanDerWaalsContact CG-OG 3.27Å; D29-S32 PolarHBondContact OD1-OG 2.86Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-N 2.94Å; D29-S32 PolarHBondContact OD2-OG 2.94Å; D29-Q33 WeakPolarHBondContact O-CG 3.3Å
30	T	87.8	Confident	94.5	Very high	28 Å²	28	18.6 Å²	18.6	17%	0.172	10%	0.101	C	C	.	.	H	α-helix	trans	-65.5	-31.1	178.8	-51	0	0	0	0	112	Q33 A34 D482	T30-Q33 PolarHBondContact O-N 3.46Å; T30-A34 VanDerWaalsContact O-CB 3.23Å; T30-A34 WeakPolarHBondContact O-CB 3.45Å; T30-A34 PolarHBondContact O-N 3.29Å; T30-D482 WeakPolarHBondContact CG2-O 3.48Å
31	L	90.7	Very high	94.9	Very high	21 Å²	21	15.9 Å²	15.9	11%	0.11	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-51.7	-177.5	174.9	60.1	0	0	0	111.7	V15 S17 F19 D29 Q33 A34 V35 F485	V15-L31 HydrophobicContact CB-CD1 3.86Å; V15-L31 HydrophobicContact CB-CD2 4.21Å; V15-L31 HydrophobicContact CG1-CD1 3.91Å; V15-L31 HydrophobicContact CG2-CD1 4.19Å; V15-L31 HydrophobicContact CG2-CD2 4.08Å; S17-L31 VanDerWaalsContact O-CD2 3.26Å; S17-L31 WeakPolarHBondContact O-CD2 3.32Å; S17-L31 WeakPolarHBondContact OG-CD2 3.39Å; F19-L31 HydrophobicContact CD1-CD2 4.38Å; F19-L31 HydrophobicContact CD1-CG 4.12Å; F19-L31 HydrophobicContact CE1-CD1 4.2Å; F19-L31 HydrophobicContact CE1-CD2 4.18Å; F19-L31 HydrophobicContact CE1-CG 3.97Å; D29-L31 VanDerWaalsContact C-N 3.26Å; D29-L31 PolarHBondContact O-N 2.97Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.42Å; L31-A34 PolarHBondContact O-N 2.92Å; L31-A34 VanDerWaalsContact O-N 3.16Å; L31-V35 HydrophobicContact CD1-CG2 4.27Å; L31-V35 PolarHBondContact O-N 3.35Å; L31-F485 HydrophobicContact CD1-CE2 3.91Å; L31-F485 HydrophobicContact CD1-CZ 4.27Å
32	S	94.1	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-40.9	179	-57.3	0	0	0	0	111.3	F19 T20 T21 D29 A34 V35 A36	F19-S32 WeakPolarHBondContact CA-OG 3.45Å; T20-S32 PolarHBondContact N-OG 3.09Å; T20-S32 PolarHBondContact OG1-OG 3.23Å; T21-S32 WeakPolarHBondContact O-CB 3.48Å; D29-S32 VanDerWaalsContact CG-OG 3.27Å; D29-S32 PolarHBondContact OD1-OG 2.86Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-N 2.94Å; D29-S32 PolarHBondContact OD2-OG 2.94Å; S32-A34 VanDerWaalsContact C-N 3.34Å; S32-A34 PolarHBondContact O-N 2.91Å; S32-V35 PolarHBondContact O-N 3.39Å; S32-A36 VanDerWaalsContact O-CB 3.26Å; S32-A36 WeakPolarHBondContact O-CB 3.42Å; S32-A36 PolarHBondContact O-N 2.98Å
33	Q	95.3	Very high	95	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-40.4	174.7	-63	-179.7	8.3	0	0	111.9	A27 D29 T30 L31 A36 K37 R106 H141 P142	A27-Q33 HydrophobicContact CB-CG 3.72Å; A27-Q33 PolarHBondContact O-NE2 3.09Å; D29-Q33 WeakPolarHBondContact O-CG 3.3Å; T30-Q33 PolarHBondContact O-N 3.46Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.42Å; Q33-A36 PolarHBondContact O-N 2.94Å; Q33-K37 PolarHBondContact O-N 3Å; Q33-K37 VanDerWaalsContact O-N 3.17Å; Q33-R106 VanDerWaalsContact NE2-NH2 3.15Å; Q33-H141 PolarHBondContact OE1-CE1 3.5Å; Q33-P142 HydrophobicContact CB-CB 4.2Å; Q33-P142 HydrophobicContact CB-CG 4.48Å
34	A	94.1	Very high	95	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-70.4	-38.9	-178.9	0	0	0	0	0	112.6	T30 L31 S32 A36 K37 F485	T30-A34 VanDerWaalsContact O-CB 3.23Å; T30-A34 WeakPolarHBondContact O-CB 3.45Å; T30-A34 PolarHBondContact O-N 3.29Å; L31-A34 PolarHBondContact O-N 2.92Å; L31-A34 VanDerWaalsContact O-N 3.16Å; S32-A34 VanDerWaalsContact C-N 3.34Å; S32-A34 PolarHBondContact O-N 2.91Å; A34-A36 VanDerWaalsContact C-N 3.29Å; A34-K37 WeakPolarHBondContact O-CB 3.4Å; A34-K37 PolarHBondContact O-N 2.94Å; A34-F485 HydrophobicContact CB-CD2 3.73Å; A34-F485 HydrophobicContact CB-CE2 4.16Å
35	V	96.6	Very high	94.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-38.1	169.5	170.9	0	0	0	0	110.4	F19 L22 L31 S32 K37 S38 V180 W201	F19-V35 HydrophobicContact CD1-CB 4.38Å; F19-V35 HydrophobicContact CD1-CG2 4.03Å; F19-V35 HydrophobicContact CE1-CB 4.21Å; F19-V35 HydrophobicContact CE1-CG1 4.44Å; F19-V35 HydrophobicContact CE1-CG2 3.43Å; F19-V35 VanDerWaalsContact CE1-CG2 3.43Å; F19-V35 HydrophobicContact CZ-CG2 4.08Å; L22-V35 HydrophobicContact CD2-CG1 4.32Å; L31-V35 HydrophobicContact CD1-CG2 4.27Å; L31-V35 PolarHBondContact O-N 3.35Å; S32-V35 PolarHBondContact O-N 3.39Å; V35-K37 PolarHBondContact O-N 2.72Å; V35-S38 VanDerWaalsContact O-CB 3.25Å; V35-S38 WeakPolarHBondContact O-CB 3.13Å; V35-S38 PolarHBondContact O-N 2.92Å; V35-S38 PolarHBondContact O-OG 3.36Å; V35-V180 HydrophobicContact CG1-CB 4.27Å; V35-V180 HydrophobicContact CG1-CG1 4.07Å; V35-W201 HydrophobicContact CB-CD2 4.37Å; V35-W201 HydrophobicContact CB-CG 4.42Å; V35-W201 HydrophobicContact CG1-CB 4.3Å; V35-W201 HydrophobicContact CG1-CD2 4.19Å; V35-W201 HydrophobicContact CG1-CG 3.8Å; V35-W201 HydrophobicContact CG2-CB 4.14Å; V35-W201 HydrophobicContact CG2-CD2 3.63Å; V35-W201 HydrophobicContact CG2-CE3 3.73Å; V35-W201 HydrophobicContact CG2-CG 3.83Å; V35-W201 HydrophobicContact CG2-CZ3 4.3Å
36	A	97.5	Very high	94.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-18.3	178.6	0	0	0	0	0	114.5	P24 S32 Q33 A34 S38 F39 Y40	P24-A36 HydrophobicContact CG-CB 3.78Å; S32-A36 VanDerWaalsContact O-CB 3.26Å; S32-A36 WeakPolarHBondContact O-CB 3.42Å; S32-A36 PolarHBondContact O-N 2.98Å; Q33-A36 PolarHBondContact O-N 2.94Å; A34-A36 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 3.4Å; A36-S38 VanDerWaalsContact O-N 3.16Å; A36-F39 HydrophobicContact CB-CD2 4.29Å; A36-F39 HydrophobicContact CB-CE2 3.72Å; A36-F39 WeakPolarHBondContact O-CD2 3.39Å; A36-F39 PolarHBondContact O-N 3.44Å; A36-F39 VanDerWaalsContact O-N 3.16Å; A36-Y40 HydrophobicContact CB-CD2 4.09Å; A36-Y40 WeakPolarHBondContact O-CD2 3.34Å; A36-Y40 PolarHBondContact O-N 2.95Å
37	K	96.5	Very high	93.9	Very high	60 Å²	60	17 Å²	17	26%	0.261	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.5	169.4	-64.8	173.1	97	-178.4	0	113.3	Q33 A34 V35 F39 P142 F487	Q33-K37 PolarHBondContact O-N 3Å; Q33-K37 VanDerWaalsContact O-N 3.17Å; A34-K37 WeakPolarHBondContact O-CB 3.4Å; A34-K37 PolarHBondContact O-N 2.94Å; V35-K37 PolarHBondContact O-N 2.72Å; K37-F39 VanDerWaalsContact C-N 3.26Å; K37-F39 PolarHBondContact O-N 3.08Å; K37-P142 HydrophobicContact CD-CB 4.31Å; K37-F487 HydrophobicContact CB-CZ 4.37Å
38	S	98	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-40.5	169.8	-71.9	0	0	0	0	111.4	V35 A36 P168 Y169 W201	V35-S38 VanDerWaalsContact O-CB 3.25Å; V35-S38 WeakPolarHBondContact O-CB 3.13Å; V35-S38 PolarHBondContact O-N 2.92Å; V35-S38 PolarHBondContact O-OG 3.36Å; A36-S38 PolarHBondContact O-N 3.4Å; A36-S38 VanDerWaalsContact O-N 3.16Å; S38-P168 WeakPolarHBondContact O-CD 3.4Å; S38-Y169 PolarHBondContact O-N 3.06Å; S38-W201 PolarHBondContact OG-NE1 3Å
39	F	98.1	Very high	93.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-24.9	-175.7	8	-85	0	0	0	113	L22 A36 K37 P163 G165 T166 G167 Y169 V182	L22-F39 HydrophobicContact CB-CE2 3.9Å; L22-F39 HydrophobicContact CB-CZ 4.25Å; L22-F39 HydrophobicContact CD1-CE2 4.25Å; L22-F39 HydrophobicContact CD1-CZ 3.79Å; L22-F39 HydrophobicContact CD2-CE2 4.21Å; L22-F39 HydrophobicContact CD2-CZ 3.87Å; L22-F39 HydrophobicContact CG-CE2 4.34Å; L22-F39 HydrophobicContact CG-CZ 4.18Å; A36-F39 HydrophobicContact CB-CD2 4.29Å; A36-F39 HydrophobicContact CB-CE2 3.72Å; A36-F39 WeakPolarHBondContact O-CD2 3.39Å; A36-F39 PolarHBondContact O-N 3.44Å; A36-F39 VanDerWaalsContact O-N 3.16Å; K37-F39 VanDerWaalsContact C-N 3.26Å; K37-F39 PolarHBondContact O-N 3.08Å; F39-P163 HydrophobicContact CB-CB 4.49Å; F39-P163 HydrophobicContact CD1-CG 4.2Å; F39-P163 HydrophobicContact CD2-CB 3.36Å; F39-P163 HydrophobicContact CD2-CG 3.58Å; F39-P163 HydrophobicContact CE1-CG 4.15Å; F39-P163 HydrophobicContact CE2-CB 3.61Å; F39-P163 HydrophobicContact CE2-CG 3.49Å; F39-P163 VanDerWaalsContact CE2-CG 3.49Å; F39-P163 HydrophobicContact CG-CB 3.96Å; F39-P163 HydrophobicContact CG-CG 3.93Å; F39-P163 HydrophobicContact CZ-CB 4.45Å; F39-P163 HydrophobicContact CZ-CG 3.84Å; F39-G165 CarbonylContact O-C 3.6Å; F39-G165 WeakPolarHBondContact O-CA 3.37Å; F39-T166 PolarHBondContact O-N 2.9Å; F39-G167 VanDerWaalsContact O-CA 3.28Å; F39-G167 WeakPolarHBondContact O-CA 3.37Å; F39-G167 PolarHBondContact O-N 3.27Å; F39-Y169 VanDerWaalsContact CA-O 3.3Å; F39-Y169 WeakPolarHBondContact CA-O 3.38Å; F39-Y169 WeakPolarHBondContact CB-O 3.19Å; F39-V182 HydrophobicContact CD1-CG1 3.95Å; F39-V182 HydrophobicContact CE1-CG1 3.5Å; F39-V182 VanDerWaalsContact CE1-CG1 3.5Å
40	Y	98.6	Very high	93.1	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.027	11%	0.105	C	C	.	.			trans	-108.8	147.9	-175.4	-64.1	-56.4	0	0	0	114.2	L22 P24 A36 A145 I147 P163 V164	L22-Y40 VanDerWaalsContact O-CE2 3.29Å; L22-Y40 WeakPolarHBondContact O-CE2 3.38Å; P24-Y40 HydrophobicContact CG-CD2 3.66Å; P24-Y40 HydrophobicContact CG-CE2 4.09Å; P24-Y40 HydrophobicContact CG-CG 4.5Å; A36-Y40 HydrophobicContact CB-CD2 4.09Å; A36-Y40 WeakPolarHBondContact O-CD2 3.34Å; A36-Y40 PolarHBondContact O-N 2.95Å; Y40-A145 HydrophobicContact CD1-CB 4.15Å; Y40-A145 HydrophobicContact CD2-CB 4.11Å; Y40-A145 HydrophobicContact CG-CB 3.69Å; Y40-I147 HydrophobicContact CD1-CG1 4.2Å; Y40-I147 HydrophobicContact CE1-CB 4.01Å; Y40-I147 HydrophobicContact CE1-CG1 3.64Å; Y40-I147 HydrophobicContact CE1-CG2 3.98Å; Y40-P163 HydrophobicContact CE2-CB 3.64Å; Y40-P163 WeakPolarHBondContact OH-CA 3.49Å; Y40-P163 WeakPolarHBondContact OH-CB 3.22Å; Y40-V164 WeakPolarHBondContact CE1-O 3.33Å; Y40-V164 PolarHBondContact OH-N 3.11Å
41	Q	98.5	Very high	92.9	Very high	20 Å²	20	25.8 Å²	25.8	9%	0.093	13%	0.125	C	C	.	.			trans	-128	150.1	166.6	-64.4	177.3	-75.2	0	0	109.3	V55 L56 M146 T166 Y188	Q41-V55 HydrophobicContact CB-CG1 3.91Å; Q41-V55 HydrophobicContact CG-CG1 4.25Å; Q41-L56 HydrophobicContact CB-CD1 3.91Å; Q41-L56 HydrophobicContact CB-CD2 4.29Å; Q41-L56 HydrophobicContact CB-CG 3.91Å; Q41-M146 PolarHBondContact O-N 2.82Å; Q41-T166 PolarHBondContact OE1-O 3.01Å; Q41-T166 PolarHBondContact OE1-OG1 2.73Å; Q41-T166 VanDerWaalsContact OE1-OG1 3.05Å; Q41-Y188 PolarHBondContact NE2-OH 3.03Å
42	G	98.4	Very high	92.9	Very high	13 Å²	13	28 Å²	28	13%	0.134	14%	0.136	C	C	.	.			trans	-92.5	177.4	171	0	0	0	0	0	112	F44 V55 L56 T144	G42-F44 VanDerWaalsContact C-N 3.28Å; G42-V55 WeakPolarHBondContact O-CB 3.47Å; G42-L56 WeakPolarHBondContact O-CB 3.49Å; G42-L56 VanDerWaalsContact O-CG 3.31Å; G42-L56 WeakPolarHBondContact O-CG 3.3Å; G42-L56 PolarHBondContact O-N 2.9Å; G42-T144 VanDerWaalsContact CA-O 3.28Å; G42-T144 WeakPolarHBondContact CA-O 3.48Å
43	L	98.7	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-62.7	-42.8	167.7	-62.6	-179.1	0	0	0	110.4	V55 L56 A57 V71 L73 F85 V90 L139 M146	L43-V55 PolarHBondContact O-N 3.39Å; L43-L56 PolarHBondContact O-N 2.81Å; L43-A57 HydrophobicContact CB-CB 4.23Å; L43-A57 WeakPolarHBondContact O-CB 3.05Å; L43-A57 PolarHBondContact O-N 2.53Å; L43-V71 HydrophobicContact CD1-CG1 4.46Å; L43-L73 HydrophobicContact CD2-CD2 3.8Å; L43-F85 HydrophobicContact CD2-CZ 3.96Å; L43-V90 HydrophobicContact CD1-CG1 3.96Å; L43-V90 HydrophobicContact CD2-CG1 4.28Å; L43-V90 HydrophobicContact CD2-CG2 3.85Å; L43-L139 HydrophobicContact CD1-CD1 4.47Å; L43-M146 HydrophobicContact CD2-CG 4.37Å; L43-M146 HydrophobicContact CD2-SD 4.12Å; L43-M146 HydrophobicContact CG-CE 4.39Å; L43-M146 HydrophobicContact CG-SD 4.37Å
44	F	98	Very high	93	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	174.6	175.7	-55.1	-85.2	0	0	0	109.1	G42 L52 K53 N54 A57 Y60 V71 I136 L139 A140	G42-F44 VanDerWaalsContact C-N 3.28Å; F44-L52 HydrophobicContact CB-CD1 3.91Å; F44-L52 HydrophobicContact CG-CD1 4.37Å; F44-K53 CarbonylContact C-O 3.35Å; F44-K53 VanDerWaalsContact CA-O 3.22Å; F44-K53 WeakPolarHBondContact CA-O 3.36Å; F44-K53 WeakPolarHBondContact CB-O 3.35Å; F44-N54 HydrophobicContact CD1-CB 4.49Å; F44-N54 VanDerWaalsContact CD1-OD1 3.32Å; F44-N54 WeakPolarHBondContact CD1-OD1 3.31Å; F44-N54 VanDerWaalsContact CE1-OD1 3.28Å; F44-N54 WeakPolarHBondContact CE1-OD1 3.38Å; F44-A57 HydrophobicContact CD1-CB 4.46Å; F44-A57 HydrophobicContact CE1-CB 3.82Å; F44-A57 HydrophobicContact CE2-CB 4.11Å; F44-A57 HydrophobicContact CZ-CB 3.61Å; F44-Y60 AromaticContact CE1-CD1 3.61Å; F44-Y60 HydrophobicContact CE1-CD1 3.61Å; F44-Y60 HydrophobicContact CE1-CE1 4.16Å; F44-Y60 HydrophobicContact CE1-CG 4.47Å; F44-Y60 AromaticContact CZ-CD1 3.55Å; F44-Y60 HydrophobicContact CZ-CD1 3.55Å; F44-Y60 HydrophobicContact CZ-CE1 4.37Å; F44-Y60 AromaticContact CZ-CG 3.97Å; F44-Y60 HydrophobicContact CZ-CG 3.97Å; F44-V71 HydrophobicContact CE2-CG1 4.34Å; F44-V71 HydrophobicContact CZ-CG1 4.18Å; F44-I136 HydrophobicContact CD1-CD1 4.17Å; F44-I136 HydrophobicContact CD2-CD1 3.65Å; F44-I136 HydrophobicContact CE1-CD1 4.07Å; F44-I136 HydrophobicContact CE2-CD1 3.54Å; F44-I136 HydrophobicContact CG-CD1 3.99Å; F44-I136 HydrophobicContact CZ-CD1 3.78Å; F44-L139 HydrophobicContact CD2-CB 3.74Å; F44-L139 HydrophobicContact CD2-CD1 4.31Å; F44-L139 HydrophobicContact CE2-CB 4.35Å; F44-L139 HydrophobicContact CE2-CD1 4.08Å; F44-A140 HydrophobicContact CB-CB 3.84Å
45	G	94.2	Very high	93.2	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	179.5	171.1	0	0	0	0	0	110.5	K53	G45-K53 PolarHBondContact N-O 3.16Å; G45-K53 PolarHBondContact O-N 3.04Å
46	L	89.6	Confident	93.3	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.7	169.7	-57.8	178.9	0	0	0	109.6	M50 K51 A140 M480	L46-M50 HydrophobicContact CD1-CE 3.55Å; L46-M50 HydrophobicContact CD1-SD 4.35Å; L46-K51 CarbonylContact C-O 3.5Å; L46-K51 VanDerWaalsContact CA-O 3.29Å; L46-K51 WeakPolarHBondContact CA-O 3.36Å; L46-A140 HydrophobicContact CD2-CB 4.03Å; L46-A140 HydrophobicContact CG-CB 4.2Å; L46-M480 HydrophobicContact CB-CE 4.38Å; L46-M480 WeakPolarHBondContact O-CE 3.46Å
47	D	85.9	Confident	93.4	Very high	46 Å²	46	35.1 Å²	35.1	25%	0.246	17%	0.171	C	C	.	.			trans	-81	-178.6	170.7	71	13.6	0	0	0	112	E49 M50 K51 M480	D47-E49 PolarHBondContact O-N 3.07Å; D47-E49 VanDerWaalsContact OD1-C 3.31Å; D47-E49 VanDerWaalsContact OD1-CA 3.31Å; D47-E49 WeakPolarHBondContact OD1-CA 3.17Å; D47-E49 WeakPolarHBondContact OD1-CB 3.42Å; D47-E49 PolarHBondContact OD1-N 3.28Å; D47-M50 PolarHBondContact O-N 3.21Å; D47-M50 PolarHBondContact OD1-N 2.91Å; D47-M50 VanDerWaalsContact OD1-N 3.11Å; D47-K51 PolarHBondContact N-O 2.97Å; D47-K51 PolarHBondContact OD1-N 2.89Å; D47-M480 WeakPolarHBondContact O-CE 3.4Å
48	K	80.7	Confident	93.5	Very high	96 Å²	96	37.9 Å²	37.9	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.4	-179.2	69.7	-173.6	174.7	73.8	0	113.5	P481	K48-P481 VanDerWaalsContact O-CD 3.31Å; K48-P481 WeakPolarHBondContact O-CD 3.29Å; K48-P481 WeakPolarHBondContact O-CG 3.46Å
49	E	80.7	Confident	93.5	Very high	99 Å²	99	40.2 Å²	40.2	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	7.3	171.2	-73.9	71.9	-148.3	0	0	112.7	D47 K51	D47-E49 PolarHBondContact O-N 3.07Å; D47-E49 VanDerWaalsContact OD1-C 3.31Å; D47-E49 VanDerWaalsContact OD1-CA 3.31Å; D47-E49 WeakPolarHBondContact OD1-CA 3.17Å; D47-E49 WeakPolarHBondContact OD1-CB 3.42Å; D47-E49 PolarHBondContact OD1-N 3.28Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 HydrophobicContact CB-CD 4.33Å; E49-K51 HydrophobicContact CB-CG 4.16Å; E49-K51 PolarHBondContact O-N 2.92Å
50	M	82.7	Confident	93.5	Very high	17 Å²	17	44 Å²	44	8%	0.084	22%	0.216	C	C	.	.	S	Bend	trans	62.9	26.3	-175	-59.5	-65.1	-68.1	0	0	114	L46 D47 I247 G395 P481	L46-M50 HydrophobicContact CD1-CE 3.55Å; L46-M50 HydrophobicContact CD1-SD 4.35Å; D47-M50 PolarHBondContact O-N 3.21Å; D47-M50 PolarHBondContact OD1-N 2.91Å; D47-M50 VanDerWaalsContact OD1-N 3.11Å; M50-I247 HydrophobicContact CE-CD1 4.08Å; M50-G395 VanDerWaalsContact CE-CA 3.41Å; M50-P481 HydrophobicContact CG-CB 4.11Å; M50-P481 HydrophobicContact CG-CG 3.97Å; M50-P481 HydrophobicContact SD-CB 4.23Å; M50-P481 HydrophobicContact SD-CG 4.31Å
51	K	85	Confident	93.4	Very high	134 Å²	134	48 Å²	48	58%	0.583	24%	0.242	S	C	*	.			trans	-92.2	144.4	175.6	-58.5	177.7	179.3	174.5	0	111.3	L46 D47 E49 K53	L46-K51 CarbonylContact C-O 3.5Å; L46-K51 VanDerWaalsContact CA-O 3.29Å; L46-K51 WeakPolarHBondContact CA-O 3.36Å; D47-K51 PolarHBondContact N-O 2.97Å; D47-K51 PolarHBondContact OD1-N 2.89Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 HydrophobicContact CB-CD 4.33Å; E49-K51 HydrophobicContact CB-CG 4.16Å; E49-K51 PolarHBondContact O-N 2.92Å; K51-K53 PolarHBondContact O-N 3.42Å
52	L	90.2	Very high	93.3	Very high	67 Å²	67	49.4 Å²	49.4	35%	0.351	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	131	176.8	-172.6	72.7	0	0	0	111.3	F44 Y60 I136 A140	F44-L52 HydrophobicContact CB-CD1 3.91Å; F44-L52 HydrophobicContact CG-CD1 4.37Å; L52-Y60 HydrophobicContact CD2-CE1 4.35Å; L52-I136 HydrophobicContact CD1-CG1 4.01Å; L52-I136 HydrophobicContact CD2-CD1 4.33Å; L52-I136 HydrophobicContact CD2-CG1 3.55Å; L52-I136 HydrophobicContact CG-CG1 4.45Å; L52-A140 HydrophobicContact CD1-CB 3.57Å
53	K	93.8	Very high	93.2	Very high	69 Å²	69	50.6 Å²	50.6	30%	0.3	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.2	171.7	76.2	-179.8	-147.9	167.6	0	111.5	F44 G45 K51 V55 E488	F44-K53 CarbonylContact C-O 3.35Å; F44-K53 VanDerWaalsContact CA-O 3.22Å; F44-K53 WeakPolarHBondContact CA-O 3.36Å; F44-K53 WeakPolarHBondContact CB-O 3.35Å; G45-K53 PolarHBondContact N-O 3.16Å; G45-K53 PolarHBondContact O-N 3.04Å; K51-K53 PolarHBondContact O-N 3.42Å; K53-V55 HydrophobicContact CD-CG2 4.46Å; K53-V55 HydrophobicContact CG-CG2 3.94Å; K53-E488 IonicContact NZ-OE2 2.61Å; K53-E488 PolarHBondContact NZ-OE2 2.79Å
54	N	97.8	Very high	92.8	Very high	69 Å²	69	59.1 Å²	59.1	37%	0.369	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.2	171.3	-63.7	-0.8	0	0	0	108.7	F44 A57 E58	F44-N54 HydrophobicContact CD1-CB 4.49Å; F44-N54 VanDerWaalsContact CD1-OD1 3.32Å; F44-N54 WeakPolarHBondContact CD1-OD1 3.31Å; F44-N54 VanDerWaalsContact CE1-OD1 3.28Å; F44-N54 WeakPolarHBondContact CE1-OD1 3.38Å; N54-A57 WeakPolarHBondContact CB-O 3.21Å; N54-E58 PolarHBondContact ND2-O 2.88Å
55	V	98.1	Very high	92.6	Very high	16 Å²	16	63.2 Å²	63.2	10%	0.097	33%	0.325	C	S	.	.	S	Bend	trans	-114.6	-90.8	-178	-175.2	0	0	0	0	109.4	Q41 G42 L43 K53 R74	Q41-V55 HydrophobicContact CB-CG1 3.91Å; Q41-V55 HydrophobicContact CG-CG1 4.25Å; G42-V55 WeakPolarHBondContact O-CB 3.47Å; L43-V55 PolarHBondContact O-N 3.39Å; K53-V55 HydrophobicContact CD-CG2 4.46Å; K53-V55 HydrophobicContact CG-CG2 3.94Å; V55-R74 VanDerWaalsContact O-CD 3.32Å; V55-R74 WeakPolarHBondContact O-CD 3.49Å; V55-R74 PolarHBondContact O-NE 3.26Å
56	L	98.7	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-79.5	-23	174.8	-64.1	177.1	0	0	0	112.4	Q41 G42 L43 R74 I77 F85 M146 T166	Q41-L56 HydrophobicContact CB-CD1 3.91Å; Q41-L56 HydrophobicContact CB-CD2 4.29Å; Q41-L56 HydrophobicContact CB-CG 3.91Å; G42-L56 WeakPolarHBondContact O-CB 3.49Å; G42-L56 VanDerWaalsContact O-CG 3.31Å; G42-L56 WeakPolarHBondContact O-CG 3.3Å; G42-L56 PolarHBondContact O-N 2.9Å; L43-L56 PolarHBondContact O-N 2.81Å; L56-R74 PolarHBondContact O-N 3.26Å; L56-I77 HydrophobicContact CD2-CD1 3.56Å; L56-I77 HydrophobicContact CD2-CG2 4.13Å; L56-F85 HydrophobicContact CB-CD1 4.48Å; L56-F85 HydrophobicContact CB-CE1 3.66Å; L56-F85 HydrophobicContact CB-CE2 4.41Å; L56-F85 HydrophobicContact CB-CZ 3.62Å; L56-F85 HydrophobicContact CD1-CD2 4.24Å; L56-F85 HydrophobicContact CD1-CE1 4.35Å; L56-F85 HydrophobicContact CD1-CE2 3.88Å; L56-F85 HydrophobicContact CD1-CZ 3.94Å; L56-F85 HydrophobicContact CD2-CD1 4.5Å; L56-F85 HydrophobicContact CD2-CE1 4.46Å; L56-F85 HydrophobicContact CG-CE1 4.39Å; L56-F85 HydrophobicContact CG-CZ 4.33Å; L56-M146 HydrophobicContact CD1-CB 3.78Å; L56-M146 HydrophobicContact CD1-CG 3.61Å; L56-T166 HydrophobicContact CD1-CG2 4.41Å
57	A	98.8	Very high	92.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.5	166.6	0	0	0	0	0	110.4	L43 F44 N54 V71 K72	L43-A57 HydrophobicContact CB-CB 4.23Å; L43-A57 WeakPolarHBondContact O-CB 3.05Å; L43-A57 PolarHBondContact O-N 2.53Å; F44-A57 HydrophobicContact CD1-CB 4.46Å; F44-A57 HydrophobicContact CE1-CB 3.82Å; F44-A57 HydrophobicContact CE2-CB 4.11Å; F44-A57 HydrophobicContact CZ-CB 3.61Å; N54-A57 WeakPolarHBondContact CB-O 3.21Å; A57-V71 HydrophobicContact CB-CG1 3.55Å; A57-K72 CarbonylContact C-O 3.54Å; A57-K72 WeakPolarHBondContact CA-O 3.35Å
58	E	98.4	Very high	93.5	Very high	117 Å²	117	64 Å²	64	55%	0.547	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-45.4	166.9	-174.6	179.8	152.2	0	0	110.6	N54 K72 R74	N54-E58 PolarHBondContact ND2-O 2.88Å; E58-K72 PolarHBondContact N-O 2.55Å; E58-R74 HydrophobicContact CB-CG 4.26Å
59	S	98.3	Very high	94.3	Very high	50 Å²	50	59.7 Å²	59.7	35%	0.35	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	172.8	179.7	62.5	0	0	0	0	111.4	K72	S59-K72 PolarHBondContact N-O 3.04Å; S59-K72 PolarHBondContact O-N 3.21Å
60	Y	98.1	Very high	95.2	Very high	78 Å²	78	56.9 Å²	56.9	31%	0.306	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.3	168.5	74.5	-76	0	0	0	111.8	F44 L52 Y69 T70 I136	F44-Y60 AromaticContact CE1-CD1 3.61Å; F44-Y60 HydrophobicContact CE1-CD1 3.61Å; F44-Y60 HydrophobicContact CE1-CE1 4.16Å; F44-Y60 HydrophobicContact CE1-CG 4.47Å; F44-Y60 AromaticContact CZ-CD1 3.55Å; F44-Y60 HydrophobicContact CZ-CD1 3.55Å; F44-Y60 HydrophobicContact CZ-CE1 4.37Å; F44-Y60 AromaticContact CZ-CG 3.97Å; F44-Y60 HydrophobicContact CZ-CG 3.97Å; L52-Y60 HydrophobicContact CD2-CE1 4.35Å; Y60-Y69 HydrophobicContact CD2-CD1 4.11Å; Y60-Y69 HydrophobicContact CE2-CD1 4.34Å; Y60-Y69 HydrophobicContact CE2-CE1 4.36Å; Y60-T70 CarbonylContact C-O 3.57Å; Y60-T70 WeakPolarHBondContact CA-O 3.13Å; Y60-T70 WeakPolarHBondContact CB-O 3.09Å; Y60-I136 HydrophobicContact CD1-CD1 3.91Å; Y60-I136 HydrophobicContact CD2-CD1 4.24Å; Y60-I136 HydrophobicContact CE1-CD1 3.61Å; Y60-I136 HydrophobicContact CE1-CG1 3.97Å; Y60-I136 HydrophobicContact CE2-CD1 3.96Å; Y60-I136 HydrophobicContact CE2-CG1 4.27Å; Y60-I136 HydrophobicContact CG-CD1 4.22Å
61	T	97.1	Very high	96	Very high	92 Å²	92	56.1 Å²	56.1	56%	0.564	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.8	166.5	61.9	0	0	0	0	109.9	Y69 T70	T61-Y69 WeakPolarHBondContact O-CA 3.28Å; T61-T70 PolarHBondContact N-O 3.1Å; T61-T70 PolarHBondContact O-N 3.15Å
62	V	96	Very high	96.6	Very high	50 Å²	50	54 Å²	54	30%	0.303	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.8	174.9	62.6	0	0	0	0	108.7	T68 Y69	V62-T68 WeakPolarHBondContact CA-O 3.32Å; V62-Y69 HydrophobicContact CB-CD1 4.17Å; V62-Y69 HydrophobicContact CB-CE1 4.04Å; V62-Y69 HydrophobicContact CG2-CD1 4.16Å; V62-Y69 HydrophobicContact CG2-CD2 4.17Å; V62-Y69 HydrophobicContact CG2-CE1 3.82Å; V62-Y69 HydrophobicContact CG2-CE2 3.81Å; V62-Y69 HydrophobicContact CG2-CG 4.32Å
63	S	95.9	Very high	97	Very high	37 Å²	37	51 Å²	51	26%	0.259	27%	0.272	S	S	.	.			trans	-68.1	156.2	173.9	51.1	0	0	0	0	111.8	D65 G66 T68	S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 3.08Å; S63-D65 PolarHBondContact OG-OD1 3.01Å; S63-G66 WeakPolarHBondContact O-CA 3.3Å; S63-G66 PolarHBondContact O-N 3.46Å; S63-T68 PolarHBondContact N-O 2.97Å; S63-T68 WeakPolarHBondContact OG-CB 3.46Å; S63-T68 PolarHBondContact OG-N 3.47Å; S63-T68 PolarHBondContact OG-O 2.98Å
64	D	90.8	Very high	97.3	Very high	179 Å²	179	52 Å²	52	96%	0.957	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	-178	-64	-22.9	0	0	0	113.3	G66	D64-G66 PolarHBondContact O-N 2.96Å
65	D	93.1	Very high	97.3	Very high	89 Å²	89	55.9 Å²	55.9	48%	0.476	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.2	175.3	66.6	4.2	0	0	0	114	S63 L67 P131	S63-D65 WeakPolarHBondContact CB-OD1 3.36Å; S63-D65 PolarHBondContact O-N 3.08Å; S63-D65 PolarHBondContact OG-OD1 3.01Å; D65-L67 HydrophobicContact CB-CD1 4.49Å; D65-L67 HydrophobicContact CB-CG 4.45Å; D65-L67 PolarHBondContact O-N 3.17Å; D65-L67 WeakPolarHBondContact OD1-CB 3.43Å; D65-L67 PolarHBondContact OD1-N 3.21Å; D65-P131 WeakPolarHBondContact O-CG 3.28Å
66	G	93.5	Very high	97.3	Very high	4 Å²	4	58.5 Å²	58.5	4%	0.041	32%	0.32	C	S	.	.	S	Bend	trans	68.7	12	-178.9	0	0	0	0	0	114.8	S63 D64	S63-G66 WeakPolarHBondContact O-CA 3.3Å; S63-G66 PolarHBondContact O-N 3.46Å; D64-G66 PolarHBondContact O-N 2.96Å
67	L	97.1	Very high	97.3	Very high	46 Å²	46	58.7 Å²	58.7	24%	0.241	32%	0.321	C	S	.	.			trans	-96.2	-30.2	-175.4	-68	176.6	0	0	0	113.7	D65 T127 L128 Q130 P131	D65-L67 HydrophobicContact CB-CD1 4.49Å; D65-L67 HydrophobicContact CB-CG 4.45Å; D65-L67 PolarHBondContact O-N 3.17Å; D65-L67 WeakPolarHBondContact OD1-CB 3.43Å; D65-L67 PolarHBondContact OD1-N 3.21Å; L67-T127 CarbonylContact O-C 3.57Å; L67-T127 WeakPolarHBondContact O-CA 3.43Å; L67-L128 HydrophobicContact CD2-CB 4.44Å; L67-L128 PolarHBondContact O-N 3.21Å; L67-Q130 VanDerWaalsContact CD2-C 3.47Å; L67-P131 HydrophobicContact CD2-CG 3.84Å; L67-P131 HydrophobicContact CG-CG 4.28Å
68	T	98.2	Very high	97.3	Very high	36 Å²	36	62.8 Å²	62.8	22%	0.221	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.1	-173.3	-57.6	0	0	0	0	110.7	V62 S63 K125 I126	V62-T68 WeakPolarHBondContact CA-O 3.32Å; S63-T68 PolarHBondContact N-O 2.97Å; S63-T68 WeakPolarHBondContact OG-CB 3.46Å; S63-T68 PolarHBondContact OG-N 3.47Å; S63-T68 PolarHBondContact OG-O 2.98Å; T68-K125 HydrophobicContact CG2-CD 3.88Å; T68-K125 HydrophobicContact CG2-CG 3.59Å; T68-I126 WeakPolarHBondContact CA-O 3.27Å
69	Y	98.6	Very high	97.3	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.1	173.3	-71.4	-104.2	0	0	0	109	Y60 T61 V62 K125 I126 L128 F132 F135	Y60-Y69 HydrophobicContact CD2-CD1 4.11Å; Y60-Y69 HydrophobicContact CE2-CD1 4.34Å; Y60-Y69 HydrophobicContact CE2-CE1 4.36Å; T61-Y69 WeakPolarHBondContact O-CA 3.28Å; V62-Y69 HydrophobicContact CB-CD1 4.17Å; V62-Y69 HydrophobicContact CB-CE1 4.04Å; V62-Y69 HydrophobicContact CG2-CD1 4.16Å; V62-Y69 HydrophobicContact CG2-CD2 4.17Å; V62-Y69 HydrophobicContact CG2-CE1 3.82Å; V62-Y69 HydrophobicContact CG2-CE2 3.81Å; V62-Y69 HydrophobicContact CG2-CG 4.32Å; Y69-K125 CarbonylContact O-C 3.53Å; Y69-K125 WeakPolarHBondContact O-CA 3.29Å; Y69-I126 PolarHBondContact N-O 3.3Å; Y69-I126 PolarHBondContact O-N 3.04Å; Y69-L128 HydrophobicContact CD2-CD1 4.18Å; Y69-L128 HydrophobicContact CD2-CG 4.32Å; Y69-L128 HydrophobicContact CE2-CD1 3.65Å; Y69-L128 HydrophobicContact CE2-CG 4.27Å; Y69-F132 PolarHBondContact OH-O 3.03Å; Y69-F135 HydrophobicContact CD1-CD1 4.05Å; Y69-F135 AromaticContact CD2-CD1 3.67Å; Y69-F135 HydrophobicContact CD2-CD1 3.67Å; Y69-F135 HydrophobicContact CD2-CE1 4.16Å; Y69-F135 HydrophobicContact CE1-CD1 4.1Å; Y69-F135 HydrophobicContact CE2-CB 4.22Å; Y69-F135 AromaticContact CE2-CD1 3.73Å; Y69-F135 HydrophobicContact CE2-CD1 3.73Å; Y69-F135 HydrophobicContact CE2-CG 4.35Å; Y69-F135 AromaticContact CG-CD1 3.85Å; Y69-F135 HydrophobicContact CG-CD1 3.85Å; Y69-F135 HydrophobicContact CG-CE1 4.18Å; Y69-F135 AromaticContact CZ-CD1 3.94Å
70	T	98.7	Very high	97.3	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.5	173.9	-55.2	0	0	0	0	108.8	Y60 T61 T123 V124	Y60-T70 CarbonylContact C-O 3.57Å; Y60-T70 WeakPolarHBondContact CA-O 3.13Å; Y60-T70 WeakPolarHBondContact CB-O 3.09Å; T61-T70 PolarHBondContact N-O 3.1Å; T61-T70 PolarHBondContact O-N 3.15Å; T70-T123 HydrophobicContact CG2-CG2 3.78Å; T70-V124 CarbonylContact C-O 3.5Å; T70-V124 WeakPolarHBondContact CA-O 3.44Å
71	V	98.9	Very high	97.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.2	-176.9	-173.5	0	0	0	0	109.1	L43 F44 A57 L73 V124 I126	L43-V71 HydrophobicContact CD1-CG1 4.46Å; F44-V71 HydrophobicContact CE2-CG1 4.34Å; F44-V71 HydrophobicContact CZ-CG1 4.18Å; A57-V71 HydrophobicContact CB-CG1 3.55Å; V71-L73 HydrophobicContact CG1-CD2 4.02Å; V71-V124 PolarHBondContact N-O 3.41Å; V71-V124 PolarHBondContact O-N 3.46Å; V71-I126 HydrophobicContact CG2-CD1 4.38Å
72	K	98.9	Very high	97.4	Very high	90 Å²	90	53.2 Å²	53.2	39%	0.391	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	169.2	-70.1	-66.1	-174.3	178.2	0	109.3	A57 E58 S59 T122 T123	A57-K72 CarbonylContact C-O 3.54Å; A57-K72 WeakPolarHBondContact CA-O 3.35Å; E58-K72 PolarHBondContact N-O 2.55Å; S59-K72 PolarHBondContact N-O 3.04Å; S59-K72 PolarHBondContact O-N 3.21Å; K72-T122 CarbonylContact C-O 3.49Å; K72-T122 WeakPolarHBondContact CA-O 3.23Å; K72-T123 HydrophobicContact CD-CG2 4.37Å; K72-T123 PolarHBondContact NZ-OG1 2.92Å
73	L	98.9	Very high	97.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.4	-176.9	-53	-176.8	0	0	0	110.7	L43 V71 F85 A87 V90 T122 V124	L43-L73 HydrophobicContact CD2-CD2 3.8Å; V71-L73 HydrophobicContact CG1-CD2 4.02Å; L73-F85 HydrophobicContact CB-CE1 4.12Å; L73-F85 HydrophobicContact CD1-CE1 4.18Å; L73-F85 HydrophobicContact CD1-CZ 4.1Å; L73-F85 HydrophobicContact CD2-CE1 4.33Å; L73-F85 HydrophobicContact CD2-CZ 4.05Å; L73-F85 HydrophobicContact CG-CE1 4.45Å; L73-F85 HydrophobicContact CG-CZ 4.5Å; L73-A87 HydrophobicContact CD1-CB 4.12Å; L73-A87 VanDerWaalsContact CD1-N 3.35Å; L73-V90 HydrophobicContact CD1-CG2 3.82Å; L73-V90 HydrophobicContact CD2-CG2 4.15Å; L73-T122 PolarHBondContact N-O 2.89Å; L73-V124 HydrophobicContact CD1-CG2 3.81Å; L73-V124 HydrophobicContact CD2-CG2 4.24Å; L73-V124 HydrophobicContact CG-CG2 4.19Å
74	R	98.7	Very high	97.6	Very high	88 Å²	88	55.3 Å²	55.3	33%	0.332	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.1	140	167.5	-64.6	179.7	-178.6	-77.9	-1.2	110.2	V55 L56 E58 I77	V55-R74 VanDerWaalsContact O-CD 3.32Å; V55-R74 WeakPolarHBondContact O-CD 3.49Å; V55-R74 PolarHBondContact O-NE 3.26Å; L56-R74 PolarHBondContact O-N 3.26Å; E58-R74 HydrophobicContact CB-CG 4.26Å; R74-I77 HydrophobicContact CB-CD1 3.69Å; R74-I77 HydrophobicContact CB-CG1 4.34Å
75	E	98.1	Very high	98	Very high	152 Å²	152	47.2 Å²	47.2	71%	0.71	26%	0.264	S	S	*	.	S	Bend	trans	-87.2	161.4	176.9	-73.1	-177.9	-158.2	0	0	113	I77 T122	E75-I77 PolarHBondContact O-N 3.09Å; E75-T122 HydrophobicContact CG-CG2 3.31Å; E75-T122 WeakPolarHBondContact OE1-CG2 3.48Å
76	G	97.7	Very high	98.3	Very high	71 Å²	71	45.3 Å²	45.3	73%	0.732	25%	0.254	S	S	*	.	S	Bend	trans	75.9	4.1	171.5	0	0	0	0	0	115.6
77	I	98.7	Very high	98.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	25%	0.252	C	S	.	.			trans	-78.6	134.4	178.6	-58.3	-174.3	0	0	0	110.2	L56 R74 E75 F85 T166 W189	L56-I77 HydrophobicContact CD2-CD1 3.56Å; L56-I77 HydrophobicContact CD2-CG2 4.13Å; R74-I77 HydrophobicContact CB-CD1 3.69Å; R74-I77 HydrophobicContact CB-CG1 4.34Å; E75-I77 PolarHBondContact O-N 3.09Å; I77-F85 HydrophobicContact CB-CB 3.96Å; I77-F85 HydrophobicContact CB-CD1 4.06Å; I77-F85 HydrophobicContact CB-CG 4.42Å; I77-F85 HydrophobicContact CD1-CD1 4.32Å; I77-F85 HydrophobicContact CG2-CB 3.83Å; I77-F85 HydrophobicContact CG2-CD1 4.29Å; I77-F85 HydrophobicContact CG2-CG 4.31Å; I77-F85 PolarHBondContact O-N 3.25Å; I77-T166 HydrophobicContact CG2-CG2 3.91Å; I77-W189 HydrophobicContact CB-CB 4.35Å; I77-W189 HydrophobicContact CB-CG 4.48Å; I77-W189 HydrophobicContact CD1-CD2 3.82Å; I77-W189 HydrophobicContact CD1-CE3 4.16Å; I77-W189 HydrophobicContact CD1-CG 4.01Å; I77-W189 HydrophobicContact CG1-CB 3.94Å; I77-W189 HydrophobicContact CG1-CD2 4.1Å; I77-W189 HydrophobicContact CG1-CE3 4.41Å; I77-W189 HydrophobicContact CG1-CG 3.89Å; I77-W189 HydrophobicContact CG2-CB 4.2Å; I77-W189 HydrophobicContact CG2-CG 4.07Å
78	K	98.7	Very high	98.6	Very high	86 Å²	86	45.6 Å²	45.6	37%	0.374	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-109.2	145.3	176.5	-63.7	-64.5	-168.1	166.5	0	111.4	T83 D84	K78-T83 CarbonylContact C-O 3.58Å; K78-T83 WeakPolarHBondContact CA-O 3.49Å; K78-D84 WeakPolarHBondContact CD-OD1 3.27Å; K78-D84 WeakPolarHBondContact CE-OD1 3.2Å; K78-D84 IonicContact NZ-OD1 3.49Å; K78-D84 PolarHBondContact NZ-OD1 3.29Å; K78-D84 IonicContact NZ-OD2 3.94Å
79	F	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.			trans	-72.6	161.4	158.9	-72.6	-78.3	0	0	0	110.4	D81 G82 T83 D84 F85 A89 M146 I147 S148 G165 T166	F79-D81 WeakPolarHBondContact CB-OD1 3.39Å; F79-D81 PolarHBondContact O-N 3.05Å; F79-G82 PolarHBondContact O-N 3.4Å; F79-T83 WeakPolarHBondContact CD2-OG1 3.26Å; F79-T83 PolarHBondContact N-O 3.29Å; F79-D84 WeakPolarHBondContact CE2-O 3.4Å; F79-F85 HydrophobicContact CD2-CB 4.48Å; F79-F85 HydrophobicContact CE2-CB 4.07Å; F79-F85 HydrophobicContact CE2-CD2 4.39Å; F79-F85 HydrophobicContact CZ-CB 4.45Å; F79-F85 HydrophobicContact CZ-CD2 4.09Å; F79-A89 HydrophobicContact CE2-CB 3.81Å; F79-A89 HydrophobicContact CZ-CB 4.02Å; F79-M146 WeakPolarHBondContact CE1-O 3.49Å; F79-I147 VanDerWaalsContact CE1-C 3.46Å; F79-S148 VanDerWaalsContact CE1-N 3.29Å; F79-G165 CarbonylContact C-O 3.44Å; F79-G165 WeakPolarHBondContact CA-O 3.4Å; F79-T166 HydrophobicContact CD1-CG2 3.67Å; F79-T166 HydrophobicContact CE1-CG2 3.66Å; F79-T166 HydrophobicContact CG-CG2 4.2Å; F79-T166 HydrophobicContact CZ-CG2 4.22Å
80	Q	98.8	Very high	98.7	Very high	22 Å²	22	43.8 Å²	43.8	10%	0.103	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.9	179.3	-70.1	158.7	-14.6	0	0	113.6	G82 V164 G165 G167 Y169 E170 F185	Q80-G82 VanDerWaalsContact C-N 3.3Å; Q80-V164 HydrophobicContact CB-CG1 4.13Å; Q80-G165 VanDerWaalsContact CG-O 3.23Å; Q80-G165 WeakPolarHBondContact CG-O 3.24Å; Q80-G165 PolarHBondContact N-O 3.5Å; Q80-G167 PolarHBondContact NE2-O 3.46Å; Q80-G167 VanDerWaalsContact NE2-O 3.15Å; Q80-Y169 PolarHBondContact NE2-O 2.94Å; Q80-E170 HydrophobicContact CB-CG 4.09Å; Q80-E170 HydrophobicContact CG-CG 3.79Å; Q80-F185 HydrophobicContact CB-CE2 4.35Å; Q80-F185 HydrophobicContact CB-CZ 4.45Å; Q80-F185 HydrophobicContact CG-CD1 3.88Å; Q80-F185 HydrophobicContact CG-CD2 4.07Å; Q80-F185 HydrophobicContact CG-CE1 3.98Å; Q80-F185 HydrophobicContact CG-CE2 4.18Å; Q80-F185 HydrophobicContact CG-CG 3.95Å; Q80-F185 HydrophobicContact CG-CZ 4.15Å
81	D	98.6	Very high	98.7	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.6	173.3	62.6	15.4	0	0	0	114.2	F79 T83 S148 V164	F79-D81 WeakPolarHBondContact CB-OD1 3.39Å; F79-D81 PolarHBondContact O-N 3.05Å; D81-T83 VanDerWaalsContact C-N 3.35Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.43Å; D81-T83 PolarHBondContact OD1-N 3.07Å; D81-T83 PolarHBondContact OD1-OG1 3.01Å; D81-S148 VanDerWaalsContact OD2-CB 3.28Å; D81-S148 WeakPolarHBondContact OD2-CB 3.3Å; D81-S148 PolarHBondContact OD2-OG 3.3Å; D81-V164 HydrophobicContact CB-CG1 3.94Å
82	G	98.3	Very high	98.7	Very high	47 Å²	47	46.7 Å²	46.7	49%	0.485	27%	0.268	S	S	.	.	S	Bend	trans	86.8	-6.2	179.2	0	0	0	0	0	115.3	F79 Q80	F79-G82 PolarHBondContact O-N 3.4Å; Q80-G82 VanDerWaalsContact C-N 3.3Å
83	T	98.7	Very high	98.7	Very high	50 Å²	50	42.4 Å²	42.4	31%	0.307	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-72.9	160.8	174.8	64.5	0	0	0	0	112.1	K78 F79 D81 A150	K78-T83 CarbonylContact C-O 3.58Å; K78-T83 WeakPolarHBondContact CA-O 3.49Å; F79-T83 WeakPolarHBondContact CD2-OG1 3.26Å; F79-T83 PolarHBondContact N-O 3.29Å; D81-T83 VanDerWaalsContact C-N 3.35Å; D81-T83 WeakPolarHBondContact OD1-CB 3.49Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.43Å; D81-T83 PolarHBondContact OD1-N 3.07Å; D81-T83 PolarHBondContact OD1-OG1 3.01Å; T83-A150 HydrophobicContact CG2-CB 4.1Å
84	D	98.6	Very high	98.7	Very high	80 Å²	80	42.2 Å²	42.2	43%	0.428	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-82.7	137.5	-177.5	-71.9	-36.5	0	0	0	112.8	K78 F79	K78-D84 WeakPolarHBondContact CD-OD1 3.27Å; K78-D84 WeakPolarHBondContact CE-OD1 3.2Å; K78-D84 IonicContact NZ-OD1 3.49Å; K78-D84 PolarHBondContact NZ-OD1 3.29Å; K78-D84 IonicContact NZ-OD2 3.94Å; F79-D84 WeakPolarHBondContact CE2-O 3.4Å
85	F	98.9	Very high	98.7	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.039	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-78.9	119.3	160	171.9	-105.8	0	0	0	109.6	L43 L56 L73 I77 F79 V90 M146 T166	L43-F85 HydrophobicContact CD2-CZ 3.96Å; L56-F85 HydrophobicContact CB-CD1 4.48Å; L56-F85 HydrophobicContact CB-CE1 3.66Å; L56-F85 HydrophobicContact CB-CE2 4.41Å; L56-F85 HydrophobicContact CB-CZ 3.62Å; L56-F85 HydrophobicContact CD1-CD2 4.24Å; L56-F85 HydrophobicContact CD1-CE1 4.35Å; L56-F85 HydrophobicContact CD1-CE2 3.88Å; L56-F85 HydrophobicContact CD1-CZ 3.94Å; L56-F85 HydrophobicContact CD2-CD1 4.5Å; L56-F85 HydrophobicContact CD2-CE1 4.46Å; L56-F85 HydrophobicContact CG-CE1 4.39Å; L56-F85 HydrophobicContact CG-CZ 4.33Å; L73-F85 HydrophobicContact CB-CE1 4.12Å; L73-F85 HydrophobicContact CD1-CE1 4.18Å; L73-F85 HydrophobicContact CD1-CZ 4.1Å; L73-F85 HydrophobicContact CD2-CE1 4.33Å; L73-F85 HydrophobicContact CD2-CZ 4.05Å; L73-F85 HydrophobicContact CG-CE1 4.45Å; L73-F85 HydrophobicContact CG-CZ 4.5Å; I77-F85 HydrophobicContact CB-CB 3.96Å; I77-F85 HydrophobicContact CB-CD1 4.06Å; I77-F85 HydrophobicContact CB-CG 4.42Å; I77-F85 HydrophobicContact CD1-CD1 4.32Å; I77-F85 HydrophobicContact CG2-CB 3.83Å; I77-F85 HydrophobicContact CG2-CD1 4.29Å; I77-F85 HydrophobicContact CG2-CG 4.31Å; I77-F85 PolarHBondContact O-N 3.25Å; F79-F85 HydrophobicContact CD2-CB 4.48Å; F79-F85 HydrophobicContact CE2-CB 4.07Å; F79-F85 HydrophobicContact CE2-CD2 4.39Å; F79-F85 HydrophobicContact CZ-CB 4.45Å; F79-F85 HydrophobicContact CZ-CD2 4.09Å; F85-V90 HydrophobicContact CE2-CG2 3.6Å; F85-V90 HydrophobicContact CZ-CG2 3.78Å; F85-M146 HydrophobicContact CD2-CB 4.39Å; F85-M146 HydrophobicContact CE2-CB 4.09Å; F85-M146 HydrophobicContact CE2-CG 3.73Å; F85-M146 HydrophobicContact CE2-SD 4.15Å; F85-M146 HydrophobicContact CZ-CG 4.46Å; F85-T166 HydrophobicContact CB-CG2 4.09Å; F85-T166 HydrophobicContact CD2-CG2 4.48Å; F85-T166 HydrophobicContact CG-CG2 4.4Å
86	N	98.8	Very high	98.7	Very high	49 Å²	49	35.4 Å²	35.4	26%	0.262	22%	0.221	S	C	.	.			trans	-152.9	179.4	-178.3	62.6	35.3	0	0	0	111.2	A88 A89 V90 P121	N86-A88 VanDerWaalsContact C-N 3.26Å; N86-A88 PolarHBondContact O-N 3.02Å; N86-A88 WeakPolarHBondContact OD1-CA 3.15Å; N86-A88 WeakPolarHBondContact OD1-CB 3.46Å; N86-A88 PolarHBondContact OD1-N 3.47Å; N86-A89 WeakPolarHBondContact O-CB 3.4Å; N86-A89 PolarHBondContact O-N 3.13Å; N86-A89 PolarHBondContact OD1-N 3Å; N86-V90 PolarHBondContact O-N 3.38Å; N86-V90 VanDerWaalsContact O-N 3.13Å; N86-P121 WeakPolarHBondContact CA-O 3.39Å; N86-P121 WeakPolarHBondContact CB-O 3.42Å
87	A	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-32.3	-178.9	0	0	0	0	0	113.9	L73 V90 K91 A118 D120 P121 V124	L73-A87 HydrophobicContact CD1-CB 4.12Å; L73-A87 VanDerWaalsContact CD1-N 3.35Å; A87-V90 PolarHBondContact O-N 3.25Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.47Å; A87-A118 HydrophobicContact CB-CB 3.72Å; A87-D120 WeakPolarHBondContact CB-O 3.37Å; A87-P121 PolarHBondContact N-O 3.15Å; A87-V124 HydrophobicContact CB-CG2 3.54Å
88	A	98.8	Very high	98.7	Very high	56 Å²	56	33 Å²	33	46%	0.463	19%	0.193	S	C	.	.	H	α-helix	trans	-68.5	-37.2	175.7	0	0	0	0	0	111.6	N86 K91 A92	N86-A88 VanDerWaalsContact C-N 3.26Å; N86-A88 PolarHBondContact O-N 3.02Å; N86-A88 WeakPolarHBondContact OD1-CA 3.15Å; N86-A88 WeakPolarHBondContact OD1-CB 3.46Å; N86-A88 PolarHBondContact OD1-N 3.47Å; A88-K91 WeakPolarHBondContact O-CB 3.48Å; A88-K91 PolarHBondContact O-N 3.23Å; A88-A92 PolarHBondContact O-N 3.26Å
89	A	98.9	Very high	98.7	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-41.4	173.9	0	0	0	0	0	112.2	F79 N86 K91 A92 N93 P149	F79-A89 HydrophobicContact CE2-CB 3.81Å; F79-A89 HydrophobicContact CZ-CB 4.02Å; N86-A89 WeakPolarHBondContact O-CB 3.4Å; N86-A89 PolarHBondContact O-N 3.13Å; N86-A89 PolarHBondContact OD1-N 3Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 3.41Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-N93 PolarHBondContact O-N 3.27Å; A89-N93 VanDerWaalsContact O-N 3.15Å; A89-N93 PolarHBondContact O-ND2 3.49Å; A89-P149 HydrophobicContact CB-CG 3.64Å
90	V	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-45.9	173.6	-179.2	0	0	0	0	110.8	L43 L73 F85 N86 A87 A92 N93 L94 V124 M146	L43-V90 HydrophobicContact CD1-CG1 3.96Å; L43-V90 HydrophobicContact CD2-CG1 4.28Å; L43-V90 HydrophobicContact CD2-CG2 3.85Å; L73-V90 HydrophobicContact CD1-CG2 3.82Å; L73-V90 HydrophobicContact CD2-CG2 4.15Å; F85-V90 HydrophobicContact CE2-CG2 3.6Å; F85-V90 HydrophobicContact CZ-CG2 3.78Å; N86-V90 PolarHBondContact O-N 3.38Å; N86-V90 VanDerWaalsContact O-N 3.13Å; A87-V90 PolarHBondContact O-N 3.25Å; V90-A92 PolarHBondContact O-N 2.84Å; V90-N93 PolarHBondContact O-N 2.72Å; V90-L94 HydrophobicContact CG1-CD1 4.09Å; V90-L94 HydrophobicContact CG1-CG 4.42Å; V90-L94 PolarHBondContact O-N 3.34Å; V90-V124 HydrophobicContact CB-CG1 4.48Å; V90-V124 HydrophobicContact CB-CG2 3.76Å; V90-V124 HydrophobicContact CG1-CB 4.44Å; V90-V124 HydrophobicContact CG1-CG1 3.95Å; V90-V124 HydrophobicContact CG1-CG2 3.93Å; V90-V124 HydrophobicContact CG2-CG2 4.01Å; V90-M146 HydrophobicContact CB-SD 4.18Å; V90-M146 HydrophobicContact CG1-SD 4.15Å; V90-M146 HydrophobicContact CG2-SD 3.84Å
91	K	98.9	Very high	98.6	Very high	69 Å²	69	37.8 Å²	37.8	30%	0.3	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-50.1	176.4	-172.3	-169.2	-173.1	-28.5	0	111.5	A87 A88 A89 N93 L94 D95 T116	A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.47Å; A88-K91 WeakPolarHBondContact O-CB 3.48Å; A88-K91 PolarHBondContact O-N 3.23Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 3.41Å; K91-N93 VanDerWaalsContact C-N 3.29Å; K91-N93 PolarHBondContact O-N 3.3Å; K91-L94 PolarHBondContact O-N 3.33Å; K91-D95 VanDerWaalsContact NZ-CG 3.27Å; K91-D95 IonicContact NZ-OD1 2.72Å; K91-D95 PolarHBondContact NZ-OD1 3.39Å; K91-D95 IonicContact NZ-OD2 2.75Å; K91-D95 PolarHBondContact NZ-OD2 3.11Å; K91-D95 VanDerWaalsContact O-CB 3.29Å; K91-D95 WeakPolarHBondContact O-CB 3.32Å; K91-D95 PolarHBondContact O-N 3.2Å; K91-T116 HydrophobicContact CB-CG2 4Å; K91-T116 WeakPolarHBondContact CE-O 3.48Å; K91-T116 HydrophobicContact CG-CG2 4.03Å; K91-T116 WeakPolarHBondContact CG-O 3.25Å; K91-T116 PolarHBondContact NZ-O 2.94Å; K91-T116 VanDerWaalsContact NZ-O 3.11Å
92	A	98.8	Very high	98.5	Very high	35 Å²	35	38 Å²	38	29%	0.289	24%	0.237	S	C	.	.	H	α-helix	trans	-57.6	-41.2	-180	0	0	0	0	0	112.5	A88 A89 V90 R96 P149	A88-A92 PolarHBondContact O-N 3.26Å; A89-A92 PolarHBondContact O-N 3.49Å; V90-A92 PolarHBondContact O-N 2.84Å; A92-R96 VanDerWaalsContact O-CB 3.31Å; A92-R96 WeakPolarHBondContact O-CB 3.39Å; A92-R96 PolarHBondContact O-N 2.9Å; A92-R96 VanDerWaalsContact O-N 3.09Å; A92-P149 HydrophobicContact CB-CB 4.35Å; A92-P149 HydrophobicContact CB-CG 4.19Å
93	N	98.9	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-48	177.4	-81.2	-89.5	0	0	0	112.5	A89 V90 K91 R96 A97 A145 M146 I147	A89-N93 PolarHBondContact O-N 3.27Å; A89-N93 VanDerWaalsContact O-N 3.15Å; A89-N93 PolarHBondContact O-ND2 3.49Å; V90-N93 PolarHBondContact O-N 2.72Å; K91-N93 VanDerWaalsContact C-N 3.29Å; K91-N93 PolarHBondContact O-N 3.3Å; N93-R96 PolarHBondContact O-N 2.66Å; N93-A97 WeakPolarHBondContact O-CB 3.37Å; N93-A97 PolarHBondContact O-N 3.23Å; N93-A145 PolarHBondContact OD1-O 2.79Å; N93-M146 HydrophobicContact CB-CE 4.13Å; N93-M146 HydrophobicContact CB-SD 4.4Å; N93-I147 PolarHBondContact ND2-N 2.83Å; N93-I147 PolarHBondContact ND2-O 2.91Å; N93-I147 VanDerWaalsContact OD1-CB 3.28Å; N93-I147 WeakPolarHBondContact OD1-CB 3.3Å; N93-I147 WeakPolarHBondContact OD1-CG1 3.4Å; N93-I147 PolarHBondContact OD1-N 3Å
94	L	98.9	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-35.2	-178.5	-69	-176.1	0	0	0	112.7	V90 K91 A97 S98 Y110 I113 T116 I126 L139 T144	V90-L94 HydrophobicContact CG1-CD1 4.09Å; V90-L94 HydrophobicContact CG1-CG 4.42Å; V90-L94 PolarHBondContact O-N 3.34Å; K91-L94 PolarHBondContact O-N 3.33Å; L94-A97 PolarHBondContact O-N 3.36Å; L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.27Å; L94-S98 PolarHBondContact O-N 2.88Å; L94-S98 PolarHBondContact O-OG 2.84Å; L94-Y110 HydrophobicContact CD2-CD1 4.4Å; L94-I113 HydrophobicContact CB-CD1 4.4Å; L94-I113 HydrophobicContact CD1-CD1 4.47Å; L94-I113 HydrophobicContact CD2-CD1 4.11Å; L94-T116 HydrophobicContact CB-CG2 4.45Å; L94-T116 WeakPolarHBondContact CB-OG1 3.15Å; L94-T116 HydrophobicContact CD1-CG2 4.13Å; L94-I126 HydrophobicContact CD1-CD1 3.56Å; L94-I126 HydrophobicContact CD1-CG1 3.98Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; L94-T144 HydrophobicContact CD2-CG2 4.26Å
95	D	98.8	Very high	97.8	Very high	57 Å²	57	42.6 Å²	42.6	31%	0.305	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-49.6	172.4	-71.4	-8.7	0	0	0	110.1	K91 A97 S98 D99	K91-D95 VanDerWaalsContact NZ-CG 3.27Å; K91-D95 IonicContact NZ-OD1 2.72Å; K91-D95 PolarHBondContact NZ-OD1 3.39Å; K91-D95 IonicContact NZ-OD2 2.75Å; K91-D95 PolarHBondContact NZ-OD2 3.11Å; K91-D95 VanDerWaalsContact O-CB 3.29Å; K91-D95 WeakPolarHBondContact O-CB 3.32Å; K91-D95 PolarHBondContact O-N 3.2Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.47Å; D95-S98 PolarHBondContact O-N 3.34Å; D95-S98 PolarHBondContact O-OG 2.82Å; D95-D99 WeakPolarHBondContact O-CB 3.11Å; D95-D99 PolarHBondContact O-N 2.8Å
96	R	98.6	Very high	97.5	Very high	40 Å²	40	44.2 Å²	44.2	15%	0.151	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-46.9	175.8	175.5	-176.9	176.9	-101.6	0.8	111.8	D23 A92 N93 S98 D99 N102 L104	D23-R96 IonicContact OD1-NH1 3.24Å; D23-R96 PolarHBondContact OD1-NH1 2.96Å; D23-R96 IonicContact OD2-CZ 2.83Å; D23-R96 IonicContact OD2-NH1 2.67Å; D23-R96 PolarHBondContact OD2-NH1 3.25Å; D23-R96 IonicContact OD2-NH2 3.36Å; D23-R96 PolarHBondContact OD2-NH2 2.87Å; A92-R96 VanDerWaalsContact O-CB 3.31Å; A92-R96 WeakPolarHBondContact O-CB 3.39Å; A92-R96 PolarHBondContact O-N 2.9Å; A92-R96 VanDerWaalsContact O-N 3.09Å; N93-R96 PolarHBondContact O-N 2.66Å; R96-S98 VanDerWaalsContact C-N 3.33Å; R96-S98 PolarHBondContact O-N 2.76Å; R96-D99 PolarHBondContact O-N 3.45Å; R96-N102 PolarHBondContact O-ND2 2.82Å; R96-L104 HydrophobicContact CG-CD1 4.13Å
97	A	98.5	Very high	97.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-30.2	-176.1	0	0	0	0	0	113.5	Y25 N93 L94 D95 Y110	Y25-A97 HydrophobicContact CD1-CB 3.53Å; Y25-A97 HydrophobicContact CE1-CB 3.44Å; Y25-A97 VanDerWaalsContact CE1-CB 3.44Å; Y25-A97 HydrophobicContact CG-CB 4.48Å; N93-A97 WeakPolarHBondContact O-CB 3.37Å; N93-A97 PolarHBondContact O-N 3.23Å; L94-A97 PolarHBondContact O-N 3.36Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.47Å; A97-Y110 HydrophobicContact CB-CD1 4.13Å; A97-Y110 HydrophobicContact CB-CD2 3.65Å; A97-Y110 HydrophobicContact CB-CE2 4.07Å; A97-Y110 HydrophobicContact CB-CG 3.68Å
98	S	98.4	Very high	96.8	Very high	23 Å²	23	48.6 Å²	48.6	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-95.1	-2.6	-179.1	61.7	0	0	0	0	114.2	L94 D95 R96 P100 Y107 Y110	L94-S98 VanDerWaalsContact O-CB 3.31Å; L94-S98 WeakPolarHBondContact O-CB 3.27Å; L94-S98 PolarHBondContact O-N 2.88Å; L94-S98 PolarHBondContact O-OG 2.84Å; D95-S98 PolarHBondContact O-N 3.34Å; D95-S98 PolarHBondContact O-OG 2.82Å; R96-S98 VanDerWaalsContact C-N 3.33Å; R96-S98 PolarHBondContact O-N 2.76Å; S98-P100 WeakPolarHBondContact O-CD 3.4Å; S98-Y107 WeakPolarHBondContact O-CE2 3.48Å; S98-Y110 WeakPolarHBondContact CB-O 3.36Å
99	D	98.3	Very high	96.4	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.374	25%	0.245	S	C	.	.			trans	-85.1	114.3	173.8	-174.7	-11.2	0	0	0	111.1	D95 R96 A101 N102	D95-D99 WeakPolarHBondContact O-CB 3.11Å; D95-D99 PolarHBondContact O-N 2.8Å; R96-D99 PolarHBondContact O-N 3.45Å; D99-A101 PolarHBondContact O-N 3.03Å; D99-A101 VanDerWaalsContact OD1-CB 3.24Å; D99-A101 WeakPolarHBondContact OD1-CB 3.44Å; D99-A101 PolarHBondContact OD1-N 3.06Å; D99-N102 PolarHBondContact O-N 3.27Å
100	P	96.9	Very high	96.3	Very high	72 Å²	72	46.6 Å²	46.6	47%	0.468	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.7	-21.7	179	26.2	-34.3	0	0	0	113.8	S98 N102 H103 Y107	S98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-N102 PolarHBondContact O-N 3.47Å; P100-H103 PolarHBondContact O-N 3.05Å; P100-Y107 HydrophobicContact CB-CE1 4.43Å; P100-Y107 HydrophobicContact CB-CE2 3.85Å; P100-Y107 HydrophobicContact CG-CE2 4.43Å
101	A	97.7	Very high	96.2	Very high	66 Å²	66	51.3 Å²	51.3	55%	0.545	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-67.7	-20.1	179.4	0	0	0	0	0	113	D99 H103	D99-A101 PolarHBondContact O-N 3.03Å; D99-A101 VanDerWaalsContact OD1-CB 3.24Å; D99-A101 WeakPolarHBondContact OD1-CB 3.44Å; D99-A101 PolarHBondContact OD1-N 3.06Å; A101-H103 VanDerWaalsContact C-N 3.31Å; A101-H103 PolarHBondContact O-CD2 2.76Å
102	N	97.2	Very high	96	Very high	73 Å²	73	49.7 Å²	49.7	39%	0.39	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-78.8	-14.2	177.4	-70.2	-42.9	0	0	0	113.3	R96 D99 P100 L104	R96-N102 PolarHBondContact O-ND2 2.82Å; D99-N102 PolarHBondContact O-N 3.27Å; P100-N102 PolarHBondContact O-N 3.47Å; N102-L104 HydrophobicContact CB-CD1 4.17Å; N102-L104 HydrophobicContact CB-CG 3.99Å; N102-L104 PolarHBondContact O-N 3.24Å
103	H	94	Very high	96	Very high	160 Å²	160	48.2 Å²	48.2	74%	0.741	25%	0.247	S	C	*	.			trans	50.9	29.3	178.9	-58.8	-68.7	0	0	0	115.1	P100 A101 K105	P100-H103 PolarHBondContact O-N 3.05Å; A101-H103 VanDerWaalsContact C-N 3.31Å; A101-H103 PolarHBondContact O-CD2 2.76Å; H103-K105 PolarHBondContact O-N 3.39Å
104	L	96.1	Very high	96	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.084	27%	0.268	C	S	.	.			trans	-65	134	179.1	-63.2	169	0	0	0	110.3	D26 R96 N102 R106 Y107	D26-L104 HydrophobicContact CB-CD2 3.99Å; R96-L104 HydrophobicContact CG-CD1 4.13Å; N102-L104 HydrophobicContact CB-CD1 4.17Å; N102-L104 HydrophobicContact CB-CG 3.99Å; N102-L104 PolarHBondContact O-N 3.24Å; L104-R106 PolarHBondContact O-N 2.97Å; L104-Y107 VanDerWaalsContact O-CB 3.28Å; L104-Y107 WeakPolarHBondContact O-CB 3.41Å; L104-Y107 PolarHBondContact O-N 3.12Å
105	K	91	Very high	96	Very high	98 Å²	98	55.8 Å²	55.8	43%	0.426	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	-176.7	-70.3	-177.6	-155.1	109.4	0	113.8	D26 N28 H103	D26-K105 VanDerWaalsContact O-CD 3.27Å; D26-K105 WeakPolarHBondContact O-CD 3.31Å; D26-K105 PolarHBondContact O-NZ 2.95Å; D26-K105 WeakPolarHBondContact OD1-CG 3.45Å; D26-K105 PolarHBondContact OD1-N 3.44Å; D26-K105 IonicContact OD1-NZ 3.47Å; D26-K105 IonicContact OD2-NZ 3.91Å; D26-K105 PolarHBondContact OD2-NZ 3.26Å; N28-K105 HydrophobicContact CB-CD 4.43Å; H103-K105 PolarHBondContact O-N 3.39Å
106	R	92.1	Very high	96	Very high	43 Å²	43	53.1 Å²	53.1	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	11.9	178.4	-56	-52.8	-164.6	-176.7	18.2	115.5	Y25 A27 N28 Q33 L104 N108 L109 Y110 A143	Y25-R106 VanDerWaalsContact O-CB 3.29Å; Y25-R106 WeakPolarHBondContact O-CB 3.48Å; Y25-R106 WeakPolarHBondContact O-CG 3.41Å; Y25-R106 PolarHBondContact O-N 3.35Å; Y25-R106 VanDerWaalsContact O-N 3.09Å; A27-R106 VanDerWaalsContact O-CZ 3.24Å; A27-R106 PolarHBondContact O-NE 3.48Å; A27-R106 PolarHBondContact O-NH2 3.26Å; N28-R106 PolarHBondContact O-NH2 3.3Å; N28-R106 PolarHBondContact OD1-NE 3.41Å; N28-R106 PolarHBondContact OD1-NH1 3.12Å; Q33-R106 VanDerWaalsContact NE2-NH2 3.15Å; L104-R106 PolarHBondContact O-N 2.97Å; R106-N108 PolarHBondContact O-N 3.16Å; R106-L109 HydrophobicContact CB-CD1 4.18Å; R106-L109 WeakPolarHBondContact O-CB 3.32Å; R106-L109 PolarHBondContact O-N 2.77Å; R106-Y110 HydrophobicContact CB-CE2 4.13Å; R106-Y110 WeakPolarHBondContact O-CD2 3.45Å; R106-Y110 WeakPolarHBondContact O-CE2 3.37Å; R106-A143 HydrophobicContact CB-CB 4.48Å; R106-A143 HydrophobicContact CG-CB 4.11Å
107	Y	94.3	Very high	96	Very high	64 Å²	64	53.7 Å²	53.7	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-45.8	-37.8	178.1	168.1	-105.7	0	0	0	113.9	S98 P100 L104 L109 Y110 K111	S98-Y107 WeakPolarHBondContact O-CE2 3.48Å; P100-Y107 HydrophobicContact CB-CE1 4.43Å; P100-Y107 HydrophobicContact CB-CE2 3.85Å; P100-Y107 HydrophobicContact CG-CE2 4.43Å; L104-Y107 VanDerWaalsContact O-CB 3.28Å; L104-Y107 WeakPolarHBondContact O-CB 3.41Å; L104-Y107 PolarHBondContact O-N 3.12Å; Y107-L109 PolarHBondContact O-N 3.32Å; Y107-L109 VanDerWaalsContact O-N 3.1Å; Y107-Y110 PolarHBondContact O-N 3.09Å; Y107-K111 HydrophobicContact CD1-CB 4.32Å; Y107-K111 HydrophobicContact CE1-CB 3.7Å; Y107-K111 HydrophobicContact CE1-CD 4.31Å; Y107-K111 HydrophobicContact CE2-CB 3.94Å; Y107-K111 VanDerWaalsContact CZ-CB 3.47Å; Y107-K111 PolarHBondContact O-N 3.14Å
108	N	88.7	Confident	96	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-24.1	179.9	-81.1	-47	0	0	0	114.5	R106 Y110 K111	R106-N108 PolarHBondContact O-N 3.16Å; N108-Y110 VanDerWaalsContact C-N 3.32Å; N108-K111 PolarHBondContact OD1-NZ 3.07Å
109	L	91	Very high	96.1	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-73.4	-25.5	174.8	-60.8	-177.4	0	0	0	112.3	R106 Y107 I138 A143 W399	R106-L109 HydrophobicContact CB-CD1 4.18Å; R106-L109 WeakPolarHBondContact O-CB 3.32Å; R106-L109 PolarHBondContact O-N 2.77Å; Y107-L109 PolarHBondContact O-N 3.32Å; Y107-L109 VanDerWaalsContact O-N 3.1Å; L109-I138 HydrophobicContact CB-CD1 4.32Å; L109-I138 HydrophobicContact CB-CG2 3.97Å; L109-I138 HydrophobicContact CD2-CD1 4.35Å; L109-I138 VanDerWaalsContact O-CD1 3.27Å; L109-I138 WeakPolarHBondContact O-CD1 3.35Å; L109-A143 HydrophobicContact CD1-CB 4.31Å; L109-W399 HydrophobicContact CD2-CH2 4.19Å; L109-W399 HydrophobicContact CD2-CZ2 4.45Å; L109-W399 HydrophobicContact CD2-CZ3 4.33Å
110	Y	97.2	Very high	96.1	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-115	-11.7	-169.8	-48.5	-76.2	0	0	0	113.6	Y25 L94 A97 S98 R106 Y107 N108 N112 I113 I138 T144	Y25-Y110 HydrophobicContact CD1-CD2 4.37Å; Y25-Y110 AromaticContact CD1-CE2 3.58Å; Y25-Y110 HydrophobicContact CD1-CE2 3.58Å; Y25-Y110 AromaticContact CD1-CZ 3.71Å; Y25-Y110 HydrophobicContact CE1-CE1 4.05Å; Y25-Y110 AromaticContact CE1-CE2 3.88Å; Y25-Y110 HydrophobicContact CE1-CE2 3.88Å; Y25-Y110 AromaticContact CE1-CZ 3.55Å; L94-Y110 HydrophobicContact CD2-CD1 4.4Å; A97-Y110 HydrophobicContact CB-CD1 4.13Å; A97-Y110 HydrophobicContact CB-CD2 3.65Å; A97-Y110 HydrophobicContact CB-CE2 4.07Å; A97-Y110 HydrophobicContact CB-CG 3.68Å; S98-Y110 WeakPolarHBondContact CB-O 3.36Å; R106-Y110 HydrophobicContact CB-CE2 4.13Å; R106-Y110 WeakPolarHBondContact O-CD2 3.45Å; R106-Y110 WeakPolarHBondContact O-CE2 3.37Å; Y107-Y110 PolarHBondContact O-N 3.09Å; N108-Y110 VanDerWaalsContact C-N 3.32Å; Y110-N112 PolarHBondContact O-N 3.3Å; Y110-I113 HydrophobicContact CD1-CD1 4.24Å; Y110-I113 WeakPolarHBondContact O-CB 3.38Å; Y110-I113 WeakPolarHBondContact O-CG1 3.39Å; Y110-I113 PolarHBondContact O-N 3.16Å; Y110-I138 HydrophobicContact CD1-CG2 4.28Å; Y110-I138 HydrophobicContact CE1-CG2 3.91Å; Y110-T144 HydrophobicContact CE1-CG2 4.03Å; Y110-T144 VanDerWaalsContact CE1-OG1 3.31Å; Y110-T144 WeakPolarHBondContact CE1-OG1 3.3Å; Y110-T144 WeakPolarHBondContact OH-CA 3.36Å; Y110-T144 PolarHBondContact OH-N 2.87Å; Y110-T144 PolarHBondContact OH-OG1 3.1Å
111	K	95.5	Very high	96.2	Very high	100 Å²	100	59.7 Å²	59.7	44%	0.435	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.7	-178.3	71.7	179.8	175.8	-171.9	0	115.1	Y107 N108 I113 K129	Y107-K111 HydrophobicContact CD1-CB 4.32Å; Y107-K111 HydrophobicContact CE1-CB 3.7Å; Y107-K111 HydrophobicContact CE1-CD 4.31Å; Y107-K111 HydrophobicContact CE2-CB 3.94Å; Y107-K111 VanDerWaalsContact CZ-CB 3.47Å; Y107-K111 PolarHBondContact O-N 3.14Å; N108-K111 PolarHBondContact OD1-NZ 3.07Å; K111-I113 VanDerWaalsContact C-N 3.32Å; K111-K129 WeakPolarHBondContact O-CE 3.14Å; K111-K129 PolarHBondContact O-NZ 3.42Å
112	N	96.2	Very high	96.2	Very high	35 Å²	35	58 Å²	58	19%	0.187	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.4	176.5	-166.3	34.6	0	0	0	113	Y110 A114 L128 K129 Q130 F132	Y110-N112 PolarHBondContact O-N 3.3Å; N112-A114 PolarHBondContact O-N 3.3Å; N112-L128 CarbonylContact O-C 3.55Å; N112-L128 VanDerWaalsContact O-CA 3.29Å; N112-L128 WeakPolarHBondContact O-CA 3.37Å; N112-K129 PolarHBondContact O-N 3.03Å; N112-K129 WeakPolarHBondContact OD1-CB 3.25Å; N112-Q130 PolarHBondContact ND2-O 3.4Å; N112-Q130 PolarHBondContact OD1-N 2.8Å; N112-F132 WeakPolarHBondContact ND2-CB 3.48Å
113	I	98.7	Very high	96.3	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.2	171.3	-61.2	174.7	0	0	0	107.9	L94 Y110 K111 I126 L128 K129 F135	L94-I113 HydrophobicContact CB-CD1 4.4Å; L94-I113 HydrophobicContact CD1-CD1 4.47Å; L94-I113 HydrophobicContact CD2-CD1 4.11Å; Y110-I113 HydrophobicContact CD1-CD1 4.24Å; Y110-I113 WeakPolarHBondContact O-CB 3.38Å; Y110-I113 WeakPolarHBondContact O-CG1 3.39Å; Y110-I113 PolarHBondContact O-N 3.16Å; K111-I113 VanDerWaalsContact C-N 3.32Å; I113-I126 HydrophobicContact CG1-CG2 4.32Å; I113-I126 HydrophobicContact CG2-CG2 4.04Å; I113-L128 HydrophobicContact CG1-CD2 4.16Å; I113-K129 VanDerWaalsContact O-CE 3.29Å; I113-K129 WeakPolarHBondContact O-CE 3.44Å; I113-F135 HydrophobicContact CD1-CE2 4.01Å; I113-F135 HydrophobicContact CD1-CZ 4.04Å; I113-F135 HydrophobicContact CG1-CE2 3.88Å; I113-F135 HydrophobicContact CG1-CZ 4.05Å
114	A	98.6	Very high	96.5	Very high	54 Å²	54	47.2 Å²	47.2	45%	0.446	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-44.2	174	0	0	0	0	0	110.8	N112 T127 K129	N112-A114 PolarHBondContact O-N 3.3Å; A114-T127 WeakPolarHBondContact CA-O 3.41Å; A114-T127 WeakPolarHBondContact CB-O 3.26Å; A114-T127 PolarHBondContact N-O 2.87Å; A114-K129 HydrophobicContact CB-CG 3.69Å
115	K	98.7	Very high	96.6	Very high	104 Å²	104	49 Å²	49	45%	0.452	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	155.8	176.5	54.4	174.5	175.2	161.4	0	111.4	E117 T127	K115-E117 HydrophobicContact CD-CG 4.31Å; K115-E117 WeakPolarHBondContact CD-OE1 3.47Å; K115-E117 WeakPolarHBondContact CE-OE1 3.25Å; K115-E117 IonicContact NZ-OE1 2.66Å; K115-E117 PolarHBondContact NZ-OE1 3.5Å; K115-T127 PolarHBondContact N-O 2.87Å; K115-T127 PolarHBondContact O-N 3.48Å
116	T	98.9	Very high	97	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130	168.1	-52	0	0	0	0	109	K91 L94 V124 I126	K91-T116 HydrophobicContact CB-CG2 4Å; K91-T116 WeakPolarHBondContact CE-O 3.48Å; K91-T116 HydrophobicContact CG-CG2 4.03Å; K91-T116 WeakPolarHBondContact CG-O 3.25Å; K91-T116 PolarHBondContact NZ-O 2.94Å; K91-T116 VanDerWaalsContact NZ-O 3.11Å; L94-T116 HydrophobicContact CB-CG2 4.45Å; L94-T116 WeakPolarHBondContact CB-OG1 3.15Å; L94-T116 HydrophobicContact CD1-CG2 4.13Å; T116-V124 HydrophobicContact CG2-CG1 3.58Å; T116-I126 HydrophobicContact CG2-CG1 4.28Å
117	E	98.9	Very high	97.3	Very high	52 Å²	52	43.7 Å²	43.7	24%	0.243	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	179.5	-66.1	171.2	-119.5	0	0	109.6	K115 I119 V124 K125	K115-E117 HydrophobicContact CD-CG 4.31Å; K115-E117 WeakPolarHBondContact CD-OE1 3.47Å; K115-E117 WeakPolarHBondContact CE-OE1 3.25Å; K115-E117 IonicContact NZ-OE1 2.66Å; K115-E117 PolarHBondContact NZ-OE1 3.5Å; E117-I119 HydrophobicContact CB-CD1 3.97Å; E117-I119 PolarHBondContact O-N 2.77Å; E117-V124 WeakPolarHBondContact O-CA 3.35Å; E117-K125 HydrophobicContact CB-CB 4.34Å; E117-K125 PolarHBondContact N-O 2.96Å; E117-K125 PolarHBondContact O-N 3.33Å; E117-K125 WeakPolarHBondContact OE1-CE 3.38Å; E117-K125 IonicContact OE1-NZ 3.8Å; E117-K125 PolarHBondContact OE1-NZ 2.94Å; E117-K125 VanDerWaalsContact OE1-NZ 3.16Å; E117-K125 VanDerWaalsContact OE2-CE 3.25Å; E117-K125 WeakPolarHBondContact OE2-CE 3.47Å; E117-K125 IonicContact OE2-NZ 3.75Å; E117-K125 PolarHBondContact OE2-NZ 3.33Å
118	A	98.7	Very high	97.6	Very high	45 Å²	45	40.9 Å²	40.9	37%	0.372	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	102.2	167	0	0	0	0	0	107.9	A87	A87-A118 HydrophobicContact CB-CB 3.72Å
119	I	98.7	Very high	98	Very high	87 Å²	87	42.5 Å²	42.5	45%	0.446	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-42.7	-175.6	-55.8	-57.5	0	0	0	110.3	E117 T123 K125	E117-I119 HydrophobicContact CB-CD1 3.97Å; E117-I119 PolarHBondContact O-N 2.77Å; I119-T123 HydrophobicContact CB-CG2 4.08Å; I119-T123 HydrophobicContact CG1-CG2 4.25Å; I119-T123 PolarHBondContact N-O 2.87Å; I119-K125 HydrophobicContact CD1-CB 3.86Å; I119-K125 HydrophobicContact CD1-CD 4.29Å; I119-K125 HydrophobicContact CG1-CB 3.81Å
120	D	98.7	Very high	98.2	Very high	63 Å²	63	47.5 Å²	47.5	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	175.1	173.6	58.6	54	0	0	0	107.4	A87 T122 T123	A87-D120 WeakPolarHBondContact CB-O 3.37Å; D120-T122 PolarHBondContact O-N 3.39Å; D120-T122 PolarHBondContact OD1-N 2.8Å; D120-T122 PolarHBondContact OD1-OG1 3.35Å; D120-T123 PolarHBondContact O-N 3.33Å; D120-T123 WeakPolarHBondContact OD1-CB 3.44Å; D120-T123 PolarHBondContact OD1-N 2.99Å; D120-T123 PolarHBondContact OD1-OG1 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.47Å; D120-T123 PolarHBondContact OD2-OG1 3.21Å
121	P	98.6	Very high	98.2	Very high	95 Å²	95	49.1 Å²	49.1	62%	0.617	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.7	-175.5	-29.1	37.3	0	0	0	115.5	N86 A87	N86-P121 WeakPolarHBondContact CA-O 3.39Å; N86-P121 WeakPolarHBondContact CB-O 3.42Å; A87-P121 PolarHBondContact N-O 3.15Å
122	T	98.7	Very high	98.2	Very high	32 Å²	32	45.9 Å²	45.9	20%	0.196	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	6.9	-173.8	60.3	0	0	0	0	113.5	K72 L73 E75 D120	K72-T122 CarbonylContact C-O 3.49Å; K72-T122 WeakPolarHBondContact CA-O 3.23Å; L73-T122 PolarHBondContact N-O 2.89Å; E75-T122 HydrophobicContact CG-CG2 3.31Å; E75-T122 WeakPolarHBondContact OE1-CG2 3.48Å; D120-T122 PolarHBondContact O-N 3.39Å; D120-T122 PolarHBondContact OD1-N 2.8Å; D120-T122 PolarHBondContact OD1-OG1 3.35Å
123	T	98.9	Very high	98	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.9	-177.6	-50.2	0	0	0	0	110.8	T70 K72 I119 D120	T70-T123 HydrophobicContact CG2-CG2 3.78Å; K72-T123 HydrophobicContact CD-CG2 4.37Å; K72-T123 PolarHBondContact NZ-OG1 2.92Å; I119-T123 HydrophobicContact CB-CG2 4.08Å; I119-T123 HydrophobicContact CG1-CG2 4.25Å; I119-T123 PolarHBondContact N-O 2.87Å; D120-T123 PolarHBondContact O-N 3.33Å; D120-T123 WeakPolarHBondContact OD1-CB 3.44Å; D120-T123 PolarHBondContact OD1-N 2.99Å; D120-T123 PolarHBondContact OD1-OG1 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.47Å; D120-T123 PolarHBondContact OD2-OG1 3.21Å
124	V	98.9	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.9	174.9	-176.6	0	0	0	0	108.7	T70 V71 L73 A87 V90 T116 E117 I126	T70-V124 CarbonylContact C-O 3.5Å; T70-V124 WeakPolarHBondContact CA-O 3.44Å; V71-V124 PolarHBondContact N-O 3.41Å; V71-V124 PolarHBondContact O-N 3.46Å; L73-V124 HydrophobicContact CD1-CG2 3.81Å; L73-V124 HydrophobicContact CD2-CG2 4.24Å; L73-V124 HydrophobicContact CG-CG2 4.19Å; A87-V124 HydrophobicContact CB-CG2 3.54Å; V90-V124 HydrophobicContact CB-CG1 4.48Å; V90-V124 HydrophobicContact CB-CG2 3.76Å; V90-V124 HydrophobicContact CG1-CB 4.44Å; V90-V124 HydrophobicContact CG1-CG1 3.95Å; V90-V124 HydrophobicContact CG1-CG2 3.93Å; V90-V124 HydrophobicContact CG2-CG2 4.01Å; T116-V124 HydrophobicContact CG2-CG1 3.58Å; E117-V124 WeakPolarHBondContact O-CA 3.35Å; V124-I126 HydrophobicContact CG1-CG1 3.91Å
125	K	98.9	Very high	97.6	Very high	54 Å²	54	42.1 Å²	42.1	24%	0.235	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.1	170.1	-173.8	-176.5	71.2	-166.4	0	109.1	T68 Y69 E117 I119	T68-K125 HydrophobicContact CG2-CD 3.88Å; T68-K125 HydrophobicContact CG2-CG 3.59Å; Y69-K125 CarbonylContact O-C 3.53Å; Y69-K125 WeakPolarHBondContact O-CA 3.29Å; E117-K125 HydrophobicContact CB-CB 4.34Å; E117-K125 PolarHBondContact N-O 2.96Å; E117-K125 PolarHBondContact O-N 3.33Å; E117-K125 WeakPolarHBondContact OE1-CE 3.38Å; E117-K125 IonicContact OE1-NZ 3.8Å; E117-K125 PolarHBondContact OE1-NZ 2.94Å; E117-K125 VanDerWaalsContact OE1-NZ 3.16Å; E117-K125 VanDerWaalsContact OE2-CE 3.25Å; E117-K125 WeakPolarHBondContact OE2-CE 3.47Å; E117-K125 IonicContact OE2-NZ 3.75Å; E117-K125 PolarHBondContact OE2-NZ 3.33Å; I119-K125 HydrophobicContact CD1-CB 3.86Å; I119-K125 HydrophobicContact CD1-CD 4.29Å; I119-K125 HydrophobicContact CG1-CB 3.81Å
126	I	98.9	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.9	177.7	-49.5	167.3	0	0	0	107.6	T68 Y69 V71 L94 I113 T116 V124 L128 F135 L139	T68-I126 WeakPolarHBondContact CA-O 3.27Å; Y69-I126 PolarHBondContact N-O 3.3Å; Y69-I126 PolarHBondContact O-N 3.04Å; V71-I126 HydrophobicContact CG2-CD1 4.38Å; L94-I126 HydrophobicContact CD1-CD1 3.56Å; L94-I126 HydrophobicContact CD1-CG1 3.98Å; I113-I126 HydrophobicContact CG1-CG2 4.32Å; I113-I126 HydrophobicContact CG2-CG2 4.04Å; T116-I126 HydrophobicContact CG2-CG1 4.28Å; V124-I126 HydrophobicContact CG1-CG1 3.91Å; I126-L128 HydrophobicContact CG2-CD2 4.38Å; I126-F135 HydrophobicContact CB-CE1 4.35Å; I126-F135 HydrophobicContact CD1-CE1 4.06Å; I126-F135 HydrophobicContact CD1-CZ 4.23Å; I126-F135 HydrophobicContact CG2-CE1 3.95Å; I126-F135 HydrophobicContact CG2-CZ 3.8Å; I126-L139 HydrophobicContact CD1-CD1 4.08Å; I126-L139 HydrophobicContact CD1-CD2 4.45Å
127	T	98.8	Very high	97.1	Very high	28 Å²	28	39 Å²	39	17%	0.172	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.5	175.3	-57.7	0	0	0	0	109.4	L67 A114 K115	L67-T127 CarbonylContact O-C 3.57Å; L67-T127 WeakPolarHBondContact O-CA 3.43Å; A114-T127 WeakPolarHBondContact CA-O 3.41Å; A114-T127 WeakPolarHBondContact CB-O 3.26Å; A114-T127 PolarHBondContact N-O 2.87Å; K115-T127 PolarHBondContact N-O 2.87Å; K115-T127 PolarHBondContact O-N 3.48Å
128	L	98.6	Very high	96.9	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	156	176.7	-54	-174.6	0	0	0	111.4	L67 Y69 N112 I113 I126 Q130 F132 F135	L67-L128 HydrophobicContact CD2-CB 4.44Å; L67-L128 PolarHBondContact O-N 3.21Å; Y69-L128 HydrophobicContact CD2-CD1 4.18Å; Y69-L128 HydrophobicContact CD2-CG 4.32Å; Y69-L128 HydrophobicContact CE2-CD1 3.65Å; Y69-L128 HydrophobicContact CE2-CG 4.27Å; N112-L128 CarbonylContact O-C 3.55Å; N112-L128 VanDerWaalsContact O-CA 3.29Å; N112-L128 WeakPolarHBondContact O-CA 3.37Å; I113-L128 HydrophobicContact CG1-CD2 4.16Å; I126-L128 HydrophobicContact CG2-CD2 4.38Å; L128-Q130 WeakPolarHBondContact CB-O 3.48Å; L128-F132 HydrophobicContact CD1-CB 4.17Å; L128-F135 HydrophobicContact CD1-CB 3.96Å; L128-F135 HydrophobicContact CD1-CD1 4.15Å; L128-F135 HydrophobicContact CD1-CD2 4.35Å; L128-F135 HydrophobicContact CD1-CG 3.89Å; L128-F135 HydrophobicContact CD2-CD1 4.04Å; L128-F135 HydrophobicContact CD2-CD2 3.87Å; L128-F135 HydrophobicContact CD2-CE1 3.94Å; L128-F135 HydrophobicContact CD2-CE2 3.79Å; L128-F135 HydrophobicContact CD2-CG 4.01Å; L128-F135 HydrophobicContact CD2-CZ 3.84Å
129	K	97.9	Very high	96.8	Very high	111 Å²	111	35 Å²	35	48%	0.483	18%	0.183	S	C	.	.	S	Bend	trans	-76	-33.3	174	-62.7	173.6	-177.6	162.3	0	111.3	K111 N112 I113 A114	K111-K129 WeakPolarHBondContact O-CE 3.14Å; K111-K129 PolarHBondContact O-NZ 3.42Å; N112-K129 PolarHBondContact O-N 3.03Å; N112-K129 WeakPolarHBondContact OD1-CB 3.25Å; I113-K129 VanDerWaalsContact O-CE 3.29Å; I113-K129 WeakPolarHBondContact O-CE 3.44Å; A114-K129 HydrophobicContact CB-CG 3.69Å
130	Q	95.8	Very high	96.7	Very high	120 Å²	120	31 Å²	31	56%	0.561	16%	0.164	S	C	*	.	S	Bend	trans	-142	151.3	177.5	-65.7	-65.4	-60.2	0	0	109.6	L67 N112 L128 F132	L67-Q130 VanDerWaalsContact CD2-C 3.47Å; N112-Q130 PolarHBondContact ND2-O 3.4Å; N112-Q130 PolarHBondContact OD1-N 2.8Å; L128-Q130 WeakPolarHBondContact CB-O 3.48Å; Q130-F132 PolarHBondContact O-N 2.94Å
131	P	95.8	Very high	96.5	Very high	34 Å²	34	28.3 Å²	28.3	22%	0.221	15%	0.149	C	C	.	.			trans	-58.7	135.6	175.5	-22.8	35.2	0	0	0	110.5	D65 L67 L433 K434	D65-P131 WeakPolarHBondContact O-CG 3.28Å; L67-P131 HydrophobicContact CD2-CG 3.84Å; L67-P131 HydrophobicContact CG-CG 4.28Å; P131-L433 CarbonylContact C-O 3.48Å; P131-K434 HydrophobicContact CB-CG 4.5Å
132	F	95.6	Very high	96.2	Very high	33 Å²	33	24.8 Å²	24.8	15%	0.145	13%	0.126	C	C	.	.			trans	-148.3	90.4	-179.7	-173.3	-105.8	0	0	0	109.6	Y69 N112 L128 Q130 A134 F135 I138 L433	Y69-F132 PolarHBondContact OH-O 3.03Å; N112-F132 WeakPolarHBondContact ND2-CB 3.48Å; L128-F132 HydrophobicContact CD1-CB 4.17Å; Q130-F132 PolarHBondContact O-N 2.94Å; F132-A134 HydrophobicContact CD1-CB 4.23Å; F132-A134 HydrophobicContact CE1-CB 3.56Å; F132-A134 HydrophobicContact CE2-CB 4.42Å; F132-A134 HydrophobicContact CZ-CB 3.69Å; F132-A134 PolarHBondContact O-N 3.37Å; F132-F135 HydrophobicContact CD1-CB 3.88Å; F132-F135 VanDerWaalsContact CD1-N 3.26Å; F132-F135 WeakPolarHBondContact O-CB 3.31Å; F132-F135 PolarHBondContact O-N 3.38Å; F132-I138 HydrophobicContact CD1-CD1 4.16Å; F132-I138 HydrophobicContact CE1-CD1 3.4Å; F132-I138 VanDerWaalsContact CE1-CD1 3.4Å; F132-I138 HydrophobicContact CE1-CG1 4.05Å; F132-I138 HydrophobicContact CZ-CD1 4.14Å; F132-L433 CarbonylContact C-O 3.56Å; F132-L433 VanDerWaalsContact CA-O 3.24Å; F132-L433 WeakPolarHBondContact CA-O 3.45Å; F132-L433 HydrophobicContact CD2-CB 4.13Å; F132-L433 HydrophobicContact CD2-CD1 3.75Å; F132-L433 HydrophobicContact CD2-CD2 3.47Å; F132-L433 VanDerWaalsContact CD2-CD2 3.47Å; F132-L433 HydrophobicContact CD2-CG 3.96Å; F132-L433 HydrophobicContact CE2-CD1 3.55Å; F132-L433 HydrophobicContact CE2-CD2 3.23Å; F132-L433 HydrophobicContact CE2-CG 3.92Å; F132-L433 HydrophobicContact CG-CD2 4.37Å; F132-L433 HydrophobicContact CZ-CD2 3.97Å; F132-L433 PolarHBondContact N-O 3.03Å
133	S	92	Very high	96.1	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.063	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.7	-173.8	69.5	0	0	0	0	113.8	F135 A432 L433 T435 N436 K441	S133-F135 VanDerWaalsContact C-N 3.33Å; S133-A432 PolarHBondContact OG-O 3Å; S133-L433 PolarHBondContact N-O 2.72Å; S133-T435 WeakPolarHBondContact CB-O 3.35Å; S133-T435 PolarHBondContact OG-O 3.24Å; S133-N436 VanDerWaalsContact CB-OD1 3.26Å; S133-N436 WeakPolarHBondContact CB-OD1 3.34Å; S133-K441 VanDerWaalsContact OG-CE 3.3Å; S133-K441 WeakPolarHBondContact OG-CE 3.49Å; S133-K441 PolarHBondContact OG-NZ 2.79Å
134	A	93.4	Very high	96.1	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.8	172.8	0	0	0	0	0	113.8	F132 I136 N137 I138 E396 L433	F132-A134 HydrophobicContact CD1-CB 4.23Å; F132-A134 HydrophobicContact CE1-CB 3.56Å; F132-A134 HydrophobicContact CE2-CB 4.42Å; F132-A134 HydrophobicContact CZ-CB 3.69Å; F132-A134 PolarHBondContact O-N 3.37Å; A134-I136 VanDerWaalsContact C-N 3.28Å; A134-I136 PolarHBondContact O-N 2.99Å; A134-N137 WeakPolarHBondContact O-CA 3.13Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 3.49Å; A134-I138 PolarHBondContact O-N 2.83Å; A134-E396 HydrophobicContact CB-CG 4.13Å; A134-L433 HydrophobicContact CB-CD2 4.16Å
135	F	95.9	Very high	96	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-37.6	-176.9	-175.9	-117.6	0	0	0	112.9	Y69 I113 I126 L128 F132 S133 N137 I138 L139	Y69-F135 HydrophobicContact CD1-CD1 4.05Å; Y69-F135 AromaticContact CD2-CD1 3.67Å; Y69-F135 HydrophobicContact CD2-CD1 3.67Å; Y69-F135 HydrophobicContact CD2-CE1 4.16Å; Y69-F135 HydrophobicContact CE1-CD1 4.1Å; Y69-F135 HydrophobicContact CE2-CB 4.22Å; Y69-F135 AromaticContact CE2-CD1 3.73Å; Y69-F135 HydrophobicContact CE2-CD1 3.73Å; Y69-F135 HydrophobicContact CE2-CG 4.35Å; Y69-F135 AromaticContact CG-CD1 3.85Å; Y69-F135 HydrophobicContact CG-CD1 3.85Å; Y69-F135 HydrophobicContact CG-CE1 4.18Å; Y69-F135 AromaticContact CZ-CD1 3.94Å; I113-F135 HydrophobicContact CD1-CE2 4.01Å; I113-F135 HydrophobicContact CD1-CZ 4.04Å; I113-F135 HydrophobicContact CG1-CE2 3.88Å; I113-F135 HydrophobicContact CG1-CZ 4.05Å; I126-F135 HydrophobicContact CB-CE1 4.35Å; I126-F135 HydrophobicContact CD1-CE1 4.06Å; I126-F135 HydrophobicContact CD1-CZ 4.23Å; I126-F135 HydrophobicContact CG2-CE1 3.95Å; I126-F135 HydrophobicContact CG2-CZ 3.8Å; L128-F135 HydrophobicContact CD1-CB 3.96Å; L128-F135 HydrophobicContact CD1-CD1 4.15Å; L128-F135 HydrophobicContact CD1-CD2 4.35Å; L128-F135 HydrophobicContact CD1-CG 3.89Å; L128-F135 HydrophobicContact CD2-CD1 4.04Å; L128-F135 HydrophobicContact CD2-CD2 3.87Å; L128-F135 HydrophobicContact CD2-CE1 3.94Å; L128-F135 HydrophobicContact CD2-CE2 3.79Å; L128-F135 HydrophobicContact CD2-CG 4.01Å; L128-F135 HydrophobicContact CD2-CZ 3.84Å; F132-F135 HydrophobicContact CD1-CB 3.88Å; F132-F135 VanDerWaalsContact CD1-N 3.26Å; F132-F135 WeakPolarHBondContact O-CB 3.31Å; F132-F135 PolarHBondContact O-N 3.38Å; S133-F135 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 3.48Å; F135-I138 HydrophobicContact CD2-CB 4.49Å; F135-I138 WeakPolarHBondContact O-CA 3.48Å; F135-I138 WeakPolarHBondContact O-CB 3.47Å; F135-I138 PolarHBondContact O-N 2.66Å; F135-L139 HydrophobicContact CD1-CD1 4.19Å; F135-L139 HydrophobicContact CD1-CG 4.38Å; F135-L139 HydrophobicContact CE1-CD1 3.7Å; F135-L139 HydrophobicContact CE1-CD2 4.17Å; F135-L139 HydrophobicContact CE1-CG 3.96Å; F135-L139 HydrophobicContact CE2-CD2 4.26Å; F135-L139 HydrophobicContact CE2-CG 4.47Å; F135-L139 HydrophobicContact CZ-CD1 4.16Å; F135-L139 HydrophobicContact CZ-CD2 3.75Å; F135-L139 HydrophobicContact CZ-CG 3.99Å; F135-L139 PolarHBondContact O-N 2.7Å
136	I	94.5	Very high	96	Very high	15 Å²	15	20.6 Å²	20.6	8%	0.077	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-34.6	175.4	-170	62.4	0	0	0	112.2	F44 L52 Y60 A134 L139 A140	F44-I136 HydrophobicContact CD1-CD1 4.17Å; F44-I136 HydrophobicContact CD2-CD1 3.65Å; F44-I136 HydrophobicContact CE1-CD1 4.07Å; F44-I136 HydrophobicContact CE2-CD1 3.54Å; F44-I136 HydrophobicContact CG-CD1 3.99Å; F44-I136 HydrophobicContact CZ-CD1 3.78Å; L52-I136 HydrophobicContact CD1-CG1 4.01Å; L52-I136 HydrophobicContact CD2-CD1 4.33Å; L52-I136 HydrophobicContact CD2-CG1 3.55Å; L52-I136 HydrophobicContact CG-CG1 4.45Å; Y60-I136 HydrophobicContact CD1-CD1 3.91Å; Y60-I136 HydrophobicContact CD2-CD1 4.24Å; Y60-I136 HydrophobicContact CE1-CD1 3.61Å; Y60-I136 HydrophobicContact CE1-CG1 3.97Å; Y60-I136 HydrophobicContact CE2-CD1 3.96Å; Y60-I136 HydrophobicContact CE2-CG1 4.27Å; Y60-I136 HydrophobicContact CG-CD1 4.22Å; A134-I136 VanDerWaalsContact C-N 3.28Å; A134-I136 PolarHBondContact O-N 2.99Å; I136-L139 PolarHBondContact O-N 2.77Å; I136-A140 PolarHBondContact O-N 2.94Å; I136-A140 VanDerWaalsContact O-N 3.07Å
137	N	92.7	Very high	96	Very high	26 Å²	26	20.6 Å²	20.6	14%	0.139	11%	0.105	C	C	.	.	H	α-helix	trans	-72.4	-30	175.7	-58.3	-73.7	0	0	0	111.8	A134 F135 A140 H141 E396	A134-N137 WeakPolarHBondContact O-CA 3.13Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 3.49Å; F135-N137 PolarHBondContact O-N 3.48Å; N137-A140 CarbonylContact O-C 3.42Å; N137-A140 PolarHBondContact O-N 2.91Å; N137-H141 PolarHBondContact O-N 3.02Å; N137-E396 HydrophobicContact CB-CG 4.16Å
138	I	95.3	Very high	96	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.056	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-42.2	169.8	-66.1	-174.5	0	0	0	110.5	L109 Y110 F132 A134 F135 A140 H141 T144	L109-I138 HydrophobicContact CB-CD1 4.32Å; L109-I138 HydrophobicContact CB-CG2 3.97Å; L109-I138 HydrophobicContact CD2-CD1 4.35Å; L109-I138 VanDerWaalsContact O-CD1 3.27Å; L109-I138 WeakPolarHBondContact O-CD1 3.35Å; Y110-I138 HydrophobicContact CD1-CG2 4.28Å; Y110-I138 HydrophobicContact CE1-CG2 3.91Å; F132-I138 HydrophobicContact CD1-CD1 4.16Å; F132-I138 HydrophobicContact CE1-CD1 3.4Å; F132-I138 VanDerWaalsContact CE1-CD1 3.4Å; F132-I138 HydrophobicContact CE1-CG1 4.05Å; F132-I138 HydrophobicContact CZ-CD1 4.14Å; A134-I138 PolarHBondContact O-N 2.83Å; F135-I138 HydrophobicContact CD2-CB 4.49Å; F135-I138 WeakPolarHBondContact O-CA 3.48Å; F135-I138 WeakPolarHBondContact O-CB 3.47Å; F135-I138 PolarHBondContact O-N 2.66Å; I138-A140 PolarHBondContact O-N 2.67Å; I138-H141 WeakPolarHBondContact O-CB 3.38Å; I138-H141 PolarHBondContact O-N 3.24Å; I138-H141 VanDerWaalsContact O-N 3.09Å; I138-T144 PolarHBondContact O-OG1 3.03Å
139	L	97.4	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.9	-21.4	176.1	-61.2	-177.6	0	0	0	113.2	L43 F44 L94 I126 F135 I136 T144	L43-L139 HydrophobicContact CD1-CD1 4.47Å; F44-L139 HydrophobicContact CD2-CB 3.74Å; F44-L139 HydrophobicContact CD2-CD1 4.31Å; F44-L139 HydrophobicContact CE2-CB 4.35Å; F44-L139 HydrophobicContact CE2-CD1 4.08Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; I126-L139 HydrophobicContact CD1-CD1 4.08Å; I126-L139 HydrophobicContact CD1-CD2 4.45Å; F135-L139 HydrophobicContact CD1-CD1 4.19Å; F135-L139 HydrophobicContact CD1-CG 4.38Å; F135-L139 HydrophobicContact CE1-CD1 3.7Å; F135-L139 HydrophobicContact CE1-CD2 4.17Å; F135-L139 HydrophobicContact CE1-CG 3.96Å; F135-L139 HydrophobicContact CE2-CD2 4.26Å; F135-L139 HydrophobicContact CE2-CG 4.47Å; F135-L139 HydrophobicContact CZ-CD1 4.16Å; F135-L139 HydrophobicContact CZ-CD2 3.75Å; F135-L139 HydrophobicContact CZ-CG 3.99Å; F135-L139 PolarHBondContact O-N 2.7Å; I136-L139 PolarHBondContact O-N 2.77Å; L139-T144 HydrophobicContact CD2-CG2 4.17Å
140	A	95.7	Very high	96.1	Very high	5 Å²	5	17.7 Å²	17.7	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-88.5	-12.1	172.5	0	0	0	0	0	113.9	F44 L46 L52 I136 N137 I138	F44-A140 HydrophobicContact CB-CB 3.84Å; L46-A140 HydrophobicContact CD2-CB 4.03Å; L46-A140 HydrophobicContact CG-CB 4.2Å; L52-A140 HydrophobicContact CD1-CB 3.57Å; I136-A140 PolarHBondContact O-N 2.94Å; I136-A140 VanDerWaalsContact O-N 3.07Å; N137-A140 CarbonylContact O-C 3.42Å; N137-A140 PolarHBondContact O-N 2.91Å; I138-A140 PolarHBondContact O-N 2.67Å
141	H	94	Very high	96.2	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.023	8%	0.076	C	C	.	.	S	Bend	trans	-67.6	139.7	-178.2	-170.9	-86.8	0	0	0	110.4	Q33 N137 I138 A143 T144 S393	Q33-H141 PolarHBondContact OE1-CE1 3.5Å; N137-H141 PolarHBondContact O-N 3.02Å; I138-H141 WeakPolarHBondContact O-CB 3.38Å; I138-H141 PolarHBondContact O-N 3.24Å; I138-H141 VanDerWaalsContact O-N 3.09Å; H141-A143 WeakPolarHBondContact ND1-CB 3.29Å; H141-A143 PolarHBondContact ND1-N 3.24Å; H141-A143 PolarHBondContact O-N 2.82Å; H141-T144 PolarHBondContact O-N 2.94Å; H141-S393 PolarHBondContact CD2-OG 3.46Å; H141-S393 WeakPolarHBondContact NE2-CB 3.41Å; H141-S393 PolarHBondContact NE2-OG 3.29Å
142	P	93	Very high	96.4	Very high	21 Å²	21	11.7 Å²	11.7	14%	0.136	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.2	-176.8	23.5	-34.1	0	0	0	114.8	P24 Q33 K37 T144	P24-P142 WeakPolarHBondContact CB-O 3.5Å; Q33-P142 HydrophobicContact CB-CB 4.2Å; Q33-P142 HydrophobicContact CB-CG 4.48Å; K37-P142 HydrophobicContact CD-CB 4.31Å; P142-T144 VanDerWaalsContact C-N 3.33Å
143	A	96	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.5	169.7	0	0	0	0	0	113.5	P24 Y25 R106 L109 H141 A145	P24-A143 WeakPolarHBondContact O-CB 3.35Å; Y25-A143 WeakPolarHBondContact CD1-O 3.4Å; Y25-A143 WeakPolarHBondContact CE1-O 3.4Å; R106-A143 HydrophobicContact CB-CB 4.48Å; R106-A143 HydrophobicContact CG-CB 4.11Å; L109-A143 HydrophobicContact CD1-CB 4.31Å; H141-A143 WeakPolarHBondContact ND1-CB 3.29Å; H141-A143 PolarHBondContact ND1-N 3.24Å; H141-A143 PolarHBondContact O-N 2.82Å; A143-A145 PolarHBondContact O-N 3.49Å
144	T	98.1	Very high	96.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.132	C	C	.	.			trans	-85.8	66.7	-177.2	-48.1	0	0	0	0	110.5	G42 L94 Y110 I138 L139 H141 P142 M146	G42-T144 VanDerWaalsContact CA-O 3.28Å; G42-T144 WeakPolarHBondContact CA-O 3.48Å; L94-T144 HydrophobicContact CD2-CG2 4.26Å; Y110-T144 HydrophobicContact CE1-CG2 4.03Å; Y110-T144 VanDerWaalsContact CE1-OG1 3.31Å; Y110-T144 WeakPolarHBondContact CE1-OG1 3.3Å; Y110-T144 WeakPolarHBondContact OH-CA 3.36Å; Y110-T144 PolarHBondContact OH-N 2.87Å; Y110-T144 PolarHBondContact OH-OG1 3.1Å; I138-T144 PolarHBondContact O-OG1 3.03Å; L139-T144 HydrophobicContact CD2-CG2 4.17Å; H141-T144 PolarHBondContact O-N 2.94Å; P142-T144 VanDerWaalsContact C-N 3.33Å; T144-M146 HydrophobicContact CG2-CE 4.22Å
145	A	98.4	Very high	97	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	14%	0.143	C	C	.	.			trans	-84.4	140.9	178.5	0	0	0	0	0	112	P24 Y25 Y40 N93 A143 I147	P24-A145 HydrophobicContact CB-CB 4.13Å; P24-A145 HydrophobicContact CG-CB 3.7Å; Y25-A145 HydrophobicContact CE2-CB 4.37Å; Y25-A145 WeakPolarHBondContact CE2-O 3.21Å; Y25-A145 VanDerWaalsContact CZ-O 3.29Å; Y25-A145 PolarHBondContact OH-N 2.99Å; Y25-A145 PolarHBondContact OH-O 3.1Å; Y40-A145 HydrophobicContact CD1-CB 4.15Å; Y40-A145 HydrophobicContact CD2-CB 4.11Å; Y40-A145 HydrophobicContact CG-CB 3.69Å; N93-A145 PolarHBondContact OD1-O 2.79Å; A143-A145 PolarHBondContact O-N 3.49Å; A145-I147 HydrophobicContact CB-CG1 4.44Å; A145-I147 PolarHBondContact O-N 3.32Å
146	M	98.8	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.			trans	-85.1	106.2	168.1	-62.4	-62.7	103.1	0	0	108.9	Q41 L43 L56 F79 F85 V90 N93 T144	Q41-M146 PolarHBondContact O-N 2.82Å; L43-M146 HydrophobicContact CD2-CG 4.37Å; L43-M146 HydrophobicContact CD2-SD 4.12Å; L43-M146 HydrophobicContact CG-CE 4.39Å; L43-M146 HydrophobicContact CG-SD 4.37Å; L56-M146 HydrophobicContact CD1-CB 3.78Å; L56-M146 HydrophobicContact CD1-CG 3.61Å; F79-M146 WeakPolarHBondContact CE1-O 3.49Å; F85-M146 HydrophobicContact CD2-CB 4.39Å; F85-M146 HydrophobicContact CE2-CB 4.09Å; F85-M146 HydrophobicContact CE2-CG 3.73Å; F85-M146 HydrophobicContact CE2-SD 4.15Å; F85-M146 HydrophobicContact CZ-CG 4.46Å; V90-M146 HydrophobicContact CB-SD 4.18Å; V90-M146 HydrophobicContact CG1-SD 4.15Å; V90-M146 HydrophobicContact CG2-SD 3.84Å; N93-M146 HydrophobicContact CB-CE 4.13Å; N93-M146 HydrophobicContact CB-SD 4.4Å; T144-M146 HydrophobicContact CG2-CE 4.22Å
147	I	98.9	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.			trans	-96.3	142.5	178	-49.1	179.8	0	0	0	109	Y25 Y40 F79 N93 A145 P149 L152 I159	Y25-I147 HydrophobicContact CD2-CD1 3.87Å; Y25-I147 HydrophobicContact CE2-CD1 3.93Å; Y25-I147 HydrophobicContact CE2-CG1 4.25Å; Y40-I147 HydrophobicContact CD1-CG1 4.2Å; Y40-I147 HydrophobicContact CE1-CB 4.01Å; Y40-I147 HydrophobicContact CE1-CG1 3.64Å; Y40-I147 HydrophobicContact CE1-CG2 3.98Å; F79-I147 VanDerWaalsContact CE1-C 3.46Å; N93-I147 PolarHBondContact ND2-N 2.83Å; N93-I147 PolarHBondContact ND2-O 2.91Å; N93-I147 VanDerWaalsContact OD1-CB 3.28Å; N93-I147 WeakPolarHBondContact OD1-CB 3.3Å; N93-I147 WeakPolarHBondContact OD1-CG1 3.4Å; N93-I147 PolarHBondContact OD1-N 3Å; A145-I147 HydrophobicContact CB-CG1 4.44Å; A145-I147 PolarHBondContact O-N 3.32Å; I147-P149 WeakPolarHBondContact O-CD 3.38Å; I147-L152 HydrophobicContact CB-CD1 4.21Å; I147-L152 HydrophobicContact CB-CD2 4.48Å; I147-L152 HydrophobicContact CB-CG 4.23Å; I147-L152 HydrophobicContact CD1-CD2 4.39Å; I147-L152 HydrophobicContact CG2-CD1 4.33Å; I147-L152 HydrophobicContact CG2-CD2 4.03Å; I147-L152 HydrophobicContact CG2-CG 3.81Å; I147-I159 HydrophobicContact CG2-CD1 3.82Å; I147-I159 HydrophobicContact CG2-CG1 3.91Å
148	S	98.9	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.			trans	-56.7	125.4	174.6	164.4	0	0	0	0	110.7	F79 D81 A150 A151 L152 V164	F79-S148 VanDerWaalsContact CE1-N 3.29Å; D81-S148 VanDerWaalsContact OD2-CB 3.28Å; D81-S148 WeakPolarHBondContact OD2-CB 3.3Å; D81-S148 PolarHBondContact OD2-OG 3.3Å; S148-A150 PolarHBondContact O-N 2.94Å; S148-A150 PolarHBondContact OG-N 3.47Å; S148-A151 PolarHBondContact O-N 2.87Å; S148-A151 PolarHBondContact OG-N 3.4Å; S148-A151 VanDerWaalsContact OG-N 3.16Å; S148-L152 PolarHBondContact O-N 3.24Å; S148-V164 PolarHBondContact N-O 3.36Å
149	P	98.8	Very high	97.5	Very high	43 Å²	43	43.2 Å²	43.2	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-36.8	172.3	-25.9	35.8	0	0	0	113	A89 A92 I147 A151 L152 E153	A89-P149 HydrophobicContact CB-CG 3.64Å; A92-P149 HydrophobicContact CB-CB 4.35Å; A92-P149 HydrophobicContact CB-CG 4.19Å; I147-P149 WeakPolarHBondContact O-CD 3.38Å; P149-A151 VanDerWaalsContact C-N 3.34Å; P149-L152 PolarHBondContact O-N 2.89Å; P149-E153 PolarHBondContact O-N 3.49Å
150	A	98.8	Very high	97.4	Very high	41 Å²	41	43.4 Å²	43.4	34%	0.339	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-37	177.5	0	0	0	0	0	111.6	T83 S148 E153 K154	T83-A150 HydrophobicContact CG2-CB 4.1Å; S148-A150 PolarHBondContact O-N 2.94Å; S148-A150 PolarHBondContact OG-N 3.47Å; A150-E153 PolarHBondContact O-N 2.84Å; A150-K154 VanDerWaalsContact O-CB 3.27Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 3.32Å
151	A	98.8	Very high	97.5	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-70.5	-38.5	174.3	0	0	0	0	0	112.4	S148 P149 E153 K154 Y155 I159 V164	S148-A151 PolarHBondContact O-N 2.87Å; S148-A151 PolarHBondContact OG-N 3.4Å; S148-A151 VanDerWaalsContact OG-N 3.16Å; P149-A151 VanDerWaalsContact C-N 3.34Å; A151-E153 VanDerWaalsContact C-N 3.29Å; A151-E153 PolarHBondContact O-N 2.94Å; A151-K154 PolarHBondContact O-N 2.75Å; A151-Y155 HydrophobicContact CB-CD2 4.07Å; A151-Y155 HydrophobicContact CB-CE2 4.21Å; A151-Y155 VanDerWaalsContact O-CD2 3.3Å; A151-Y155 WeakPolarHBondContact O-CD2 3.29Å; A151-Y155 PolarHBondContact O-N 3.06Å; A151-I159 HydrophobicContact CB-CD1 3.97Å; A151-V164 HydrophobicContact CB-CB 3.5Å; A151-V164 HydrophobicContact CB-CG1 4.12Å; A151-V164 HydrophobicContact CB-CG2 3.59Å
152	L	98.7	Very high	97.7	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-41.7	173.3	-76.4	170.6	0	0	0	111.5	I147 S148 P149 G156 I159	I147-L152 HydrophobicContact CB-CD1 4.21Å; I147-L152 HydrophobicContact CB-CD2 4.48Å; I147-L152 HydrophobicContact CB-CG 4.23Å; I147-L152 HydrophobicContact CD1-CD2 4.39Å; I147-L152 HydrophobicContact CG2-CD1 4.33Å; I147-L152 HydrophobicContact CG2-CD2 4.03Å; I147-L152 HydrophobicContact CG2-CG 3.81Å; S148-L152 PolarHBondContact O-N 3.24Å; P149-L152 PolarHBondContact O-N 2.89Å; L152-G156 VanDerWaalsContact O-CA 3.25Å; L152-G156 WeakPolarHBondContact O-CA 3.35Å; L152-G156 PolarHBondContact O-N 3Å; L152-I159 HydrophobicContact CD2-CB 4.36Å; L152-I159 HydrophobicContact CD2-CG1 3.93Å; L152-I159 HydrophobicContact CD2-CG2 4.28Å
153	E	98.4	Very high	98	Very high	174 Å²	174	49.5 Å²	49.5	81%	0.813	25%	0.246	S	C	*	.	H	α-helix	trans	-67.3	-47	174.8	-176	176.1	-170.2	0	0	111.8	P149 A150 A151	P149-E153 PolarHBondContact O-N 3.49Å; A150-E153 PolarHBondContact O-N 2.84Å; A151-E153 VanDerWaalsContact C-N 3.29Å; A151-E153 PolarHBondContact O-N 2.94Å
154	K	98.6	Very high	98.1	Very high	151 Å²	151	50.3 Å²	50.3	66%	0.657	25%	0.251	S	S	*	.	H	α-helix	trans	-65.2	-45.8	-176.6	-179.3	-179.6	178	-169.8	0	113.6	A150 A151	A150-K154 VanDerWaalsContact O-CB 3.27Å; A150-K154 WeakPolarHBondContact O-CB 3.47Å; A150-K154 PolarHBondContact O-N 3.32Å; A151-K154 PolarHBondContact O-N 2.75Å
155	Y	98.4	Very high	98.1	Very high	65 Å²	65	50.3 Å²	50.3	26%	0.255	25%	0.251	S	S	.	.	H	α-helix	trans	-100.3	-18.7	-173.1	-58	-64.5	0	0	0	113.1	A151 K157 E158 I159 H162 V164	A151-Y155 HydrophobicContact CB-CD2 4.07Å; A151-Y155 HydrophobicContact CB-CE2 4.21Å; A151-Y155 VanDerWaalsContact O-CD2 3.3Å; A151-Y155 WeakPolarHBondContact O-CD2 3.29Å; A151-Y155 PolarHBondContact O-N 3.06Å; Y155-K157 PolarHBondContact O-N 3.01Å; Y155-K157 VanDerWaalsContact O-N 3.11Å; Y155-E158 PolarHBondContact O-N 2.98Å; Y155-I159 HydrophobicContact CD2-CD1 4.18Å; Y155-H162 HydrophobicContact CD1-CB 3.75Å; Y155-H162 AromaticContact CD1-CD2 3.63Å; Y155-H162 AromaticContact CD1-CG 3.8Å; Y155-H162 HydrophobicContact CD2-CB 3.69Å; Y155-H162 HydrophobicContact CE1-CB 3.76Å; Y155-H162 AromaticContact CE1-CD2 3.96Å; Y155-H162 AromaticContact CE1-CG 3.77Å; Y155-H162 HydrophobicContact CE2-CB 3.69Å; Y155-H162 HydrophobicContact CG-CB 3.73Å; Y155-V164 HydrophobicContact CE2-CG2 4.18Å
156	G	96.9	Very high	98.2	Very high	36 Å²	36	50.1 Å²	50.1	37%	0.371	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	52.6	-118.3	178.1	0	0	0	0	0	112.5	L152 E158 I159	L152-G156 VanDerWaalsContact O-CA 3.25Å; L152-G156 WeakPolarHBondContact O-CA 3.35Å; L152-G156 PolarHBondContact O-N 3Å; G156-E158 PolarHBondContact O-N 3.25Å; G156-I159 WeakPolarHBondContact O-CB 3.28Å; G156-I159 WeakPolarHBondContact O-CG2 3.49Å; G156-I159 PolarHBondContact O-N 2.54Å
157	K	94.8	Very high	98.1	Very high	213 Å²	213	50.1 Å²	50.1	93%	0.926	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-70.7	-17.2	179.5	-65.2	-174.6	178.8	-177.8	0	113.7	Y155 I159	Y155-K157 PolarHBondContact O-N 3.01Å; Y155-K157 VanDerWaalsContact O-N 3.11Å; K157-I159 VanDerWaalsContact C-N 3.33Å
158	E	97.4	Very high	98.1	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.561	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-90.3	6.8	177.6	-60	-165.2	128.3	0	0	113.1	Y155 G156 G160 F161 H162	Y155-E158 PolarHBondContact O-N 2.98Å; G156-E158 PolarHBondContact O-N 3.25Å; E158-G160 PolarHBondContact O-N 3.07Å; E158-F161 HydrophobicContact CB-CD2 4.47Å; E158-F161 PolarHBondContact O-N 2.86Å; E158-H162 PolarHBondContact O-N 3.4Å
159	I	98.4	Very high	98.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53.2	-28.9	175.9	-172.6	63.4	0	0	0	112.8	D23 I147 A151 L152 Y155 G156 K157 F161 H162	D23-I159 HydrophobicContact CB-CG2 4.37Å; I147-I159 HydrophobicContact CG2-CD1 3.82Å; I147-I159 HydrophobicContact CG2-CG1 3.91Å; A151-I159 HydrophobicContact CB-CD1 3.97Å; L152-I159 HydrophobicContact CD2-CB 4.36Å; L152-I159 HydrophobicContact CD2-CG1 3.93Å; L152-I159 HydrophobicContact CD2-CG2 4.28Å; Y155-I159 HydrophobicContact CD2-CD1 4.18Å; G156-I159 WeakPolarHBondContact O-CB 3.28Å; G156-I159 WeakPolarHBondContact O-CG2 3.49Å; G156-I159 PolarHBondContact O-N 2.54Å; K157-I159 VanDerWaalsContact C-N 3.33Å; I159-F161 PolarHBondContact O-N 3.22Å; I159-H162 CarbonylContact O-C 3.6Å; I159-H162 PolarHBondContact O-N 2.76Å
160	G	96.7	Very high	98.1	Very high	5 Å²	5	51 Å²	51	5%	0.052	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65	-13.8	175.3	0	0	0	0	0	115.3	T21 L22 E158 W174	T21-G160 WeakPolarHBondContact OG1-CA 3.35Å; L22-G160 WeakPolarHBondContact CA-O 3.27Å; L22-G160 WeakPolarHBondContact CB-O 3.3Å; L22-G160 PolarHBondContact N-O 2.89Å; E158-G160 PolarHBondContact O-N 3.07Å; G160-W174 VanDerWaalsContact O-CZ3 3.31Å; G160-W174 WeakPolarHBondContact O-CZ3 3.48Å
161	F	97.4	Very high	98.1	Very high	74 Å²	74	50.9 Å²	50.9	33%	0.325	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-14.6	175	-61.6	-78.6	0	0	0	113.1	E158 I159 L171 W174 Q176	E158-F161 HydrophobicContact CB-CD2 4.47Å; E158-F161 PolarHBondContact O-N 2.86Å; I159-F161 PolarHBondContact O-N 3.22Å; F161-L171 WeakPolarHBondContact O-CD2 3.38Å; F161-W174 HydrophobicContact CB-CZ3 4.48Å; F161-W174 AromaticContact CD1-CE3 3.73Å; F161-W174 HydrophobicContact CD1-CE3 3.73Å; F161-W174 AromaticContact CD1-CH2 3.99Å; F161-W174 HydrophobicContact CD1-CH2 3.99Å; F161-W174 AromaticContact CD1-CZ3 3.27Å; F161-W174 HydrophobicContact CD1-CZ3 3.27Å; F161-W174 HydrophobicContact CE1-CE3 4.44Å; F161-W174 AromaticContact CE1-CH2 3.93Å; F161-W174 HydrophobicContact CE1-CH2 3.93Å; F161-W174 AromaticContact CE1-CZ3 3.69Å; F161-W174 HydrophobicContact CE1-CZ3 3.69Å; F161-W174 HydrophobicContact CG-CZ3 4.13Å; F161-Q176 HydrophobicContact CE1-CG 4.44Å
162	H	98	Very high	98.1	Very high	78 Å²	78	54 Å²	54	36%	0.361	26%	0.261	S	S	.	.	S	Bend	trans	-131	62.4	-175.3	-58.1	-64.5	0	0	0	110.9	Y155 E158 I159	Y155-H162 HydrophobicContact CD1-CB 3.75Å; Y155-H162 AromaticContact CD1-CD2 3.63Å; Y155-H162 AromaticContact CD1-CG 3.8Å; Y155-H162 HydrophobicContact CD2-CB 3.69Å; Y155-H162 HydrophobicContact CE1-CB 3.76Å; Y155-H162 AromaticContact CE1-CD2 3.96Å; Y155-H162 AromaticContact CE1-CG 3.77Å; Y155-H162 HydrophobicContact CE2-CB 3.69Å; Y155-H162 HydrophobicContact CG-CB 3.73Å; E158-H162 PolarHBondContact O-N 3.4Å; I159-H162 CarbonylContact O-C 3.6Å; I159-H162 PolarHBondContact O-N 2.76Å
163	P	98.5	Very high	98	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.039	27%	0.273	C	S	.	.			trans	-66	138.1	-175.5	30.4	-36.5	0	0	0	111.7	L22 F39 Y40 L171	L22-P163 HydrophobicContact CB-CB 4.31Å; L22-P163 HydrophobicContact CB-CG 4.06Å; L22-P163 HydrophobicContact CD1-CG 3.88Å; F39-P163 HydrophobicContact CB-CB 4.49Å; F39-P163 HydrophobicContact CD1-CG 4.2Å; F39-P163 HydrophobicContact CD2-CB 3.36Å; F39-P163 HydrophobicContact CD2-CG 3.58Å; F39-P163 HydrophobicContact CE1-CG 4.15Å; F39-P163 HydrophobicContact CE2-CB 3.61Å; F39-P163 HydrophobicContact CE2-CG 3.49Å; F39-P163 VanDerWaalsContact CE2-CG 3.49Å; F39-P163 HydrophobicContact CG-CB 3.96Å; F39-P163 HydrophobicContact CG-CG 3.93Å; F39-P163 HydrophobicContact CZ-CB 4.45Å; F39-P163 HydrophobicContact CZ-CG 3.84Å; Y40-P163 HydrophobicContact CE2-CB 3.64Å; Y40-P163 WeakPolarHBondContact OH-CA 3.49Å; Y40-P163 WeakPolarHBondContact OH-CB 3.22Å; P163-L171 HydrophobicContact CG-CB 4.23Å; P163-L171 HydrophobicContact CG-CD2 4.31Å
164	V	98.8	Very high	98	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.109	24%	0.241	C	C	.	.			trans	-140.1	107.6	177	-177.4	0	0	0	0	108.4	Y40 Q80 D81 S148 A151 Y155	Y40-V164 WeakPolarHBondContact CE1-O 3.33Å; Y40-V164 PolarHBondContact OH-N 3.11Å; Q80-V164 HydrophobicContact CB-CG1 4.13Å; D81-V164 HydrophobicContact CB-CG1 3.94Å; S148-V164 PolarHBondContact N-O 3.36Å; A151-V164 HydrophobicContact CB-CB 3.5Å; A151-V164 HydrophobicContact CB-CG1 4.12Å; A151-V164 HydrophobicContact CB-CG2 3.59Å; Y155-V164 HydrophobicContact CE2-CG2 4.18Å
165	G	98.8	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.			trans	-129.8	-159.2	-177.6	0	0	0	0	0	112.6	F39 F79 Q80	F39-G165 CarbonylContact O-C 3.6Å; F39-G165 WeakPolarHBondContact O-CA 3.37Å; F79-G165 CarbonylContact C-O 3.44Å; F79-G165 WeakPolarHBondContact CA-O 3.4Å; Q80-G165 VanDerWaalsContact CG-O 3.23Å; Q80-G165 WeakPolarHBondContact CG-O 3.24Å; Q80-G165 PolarHBondContact N-O 3.5Å
166	T	98.8	Very high	97.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-104.6	-0	177.7	64.3	0	0	0	0	112.6	F39 Q41 L56 I77 F79 F85 Y188	F39-T166 PolarHBondContact O-N 2.9Å; Q41-T166 PolarHBondContact OE1-O 3.01Å; Q41-T166 PolarHBondContact OE1-OG1 2.73Å; Q41-T166 VanDerWaalsContact OE1-OG1 3.05Å; L56-T166 HydrophobicContact CD1-CG2 4.41Å; I77-T166 HydrophobicContact CG2-CG2 3.91Å; F79-T166 HydrophobicContact CD1-CG2 3.67Å; F79-T166 HydrophobicContact CE1-CG2 3.66Å; F79-T166 HydrophobicContact CG-CG2 4.2Å; F79-T166 HydrophobicContact CZ-CG2 4.22Å; F85-T166 HydrophobicContact CB-CG2 4.09Å; F85-T166 HydrophobicContact CD2-CG2 4.48Å; F85-T166 HydrophobicContact CG-CG2 4.4Å; T166-Y188 VanDerWaalsContact O-CD2 3.31Å; T166-Y188 WeakPolarHBondContact O-CD2 3.41Å; T166-Y188 VanDerWaalsContact O-CE2 3.25Å; T166-Y188 WeakPolarHBondContact O-CE2 3.45Å
167	G	98.4	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-72	170.2	-169.7	0	0	0	0	0	114	F39 Q80 Y169 F185	F39-G167 VanDerWaalsContact O-CA 3.28Å; F39-G167 WeakPolarHBondContact O-CA 3.37Å; F39-G167 PolarHBondContact O-N 3.27Å; Q80-G167 PolarHBondContact NE2-O 3.46Å; Q80-G167 VanDerWaalsContact NE2-O 3.15Å; G167-Y169 PolarHBondContact O-N 2.52Å; G167-F185 WeakPolarHBondContact O-CD1 3.48Å
168	P	98.4	Very high	96.7	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.065	23%	0.228	C	C	.	.	S	Bend	trans	-69.7	-13.9	-170.9	22.6	-29.5	0	0	0	114.9	S38 F185 Y188 P194	S38-P168 WeakPolarHBondContact O-CD 3.4Å; P168-F185 WeakPolarHBondContact O-CB 3.42Å; P168-F185 PolarHBondContact O-N 2.75Å; P168-Y188 HydrophobicContact CB-CD1 4.02Å; P168-Y188 HydrophobicContact CB-CD2 4.13Å; P168-Y188 HydrophobicContact CB-CE1 3.88Å; P168-Y188 HydrophobicContact CB-CE2 4.01Å; P168-Y188 HydrophobicContact CB-CG 4.14Å; P168-Y188 HydrophobicContact CG-CE2 4.38Å; P168-P194 HydrophobicContact CB-CB 3.95Å; P168-P194 HydrophobicContact CB-CG 3.83Å; P168-P194 VanDerWaalsContact O-CD 3.31Å; P168-P194 WeakPolarHBondContact O-CD 3.47Å; P168-P194 VanDerWaalsContact O-CG 3.28Å; P168-P194 WeakPolarHBondContact O-CG 3.23Å
169	Y	98.8	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.3	-179.3	-52.8	-94.1	0	0	0	112.6	S38 F39 Q80 G167 V182 K183 P194 L196 I199 F487	S38-Y169 PolarHBondContact O-N 3.06Å; F39-Y169 VanDerWaalsContact CA-O 3.3Å; F39-Y169 WeakPolarHBondContact CA-O 3.38Å; F39-Y169 WeakPolarHBondContact CB-O 3.19Å; Q80-Y169 PolarHBondContact NE2-O 2.94Å; G167-Y169 PolarHBondContact O-N 2.52Å; Y169-V182 HydrophobicContact CD1-CG2 3.99Å; Y169-V182 HydrophobicContact CG-CB 4.47Å; Y169-V182 HydrophobicContact CG-CG2 3.83Å; Y169-K183 CarbonylContact C-O 3.59Å; Y169-K183 WeakPolarHBondContact CA-O 3.34Å; Y169-K183 WeakPolarHBondContact CB-O 3.24Å; Y169-P194 HydrophobicContact CD1-CG 4.17Å; Y169-P194 HydrophobicContact CE1-CB 3.92Å; Y169-P194 HydrophobicContact CE1-CG 3.73Å; Y169-P194 HydrophobicContact CE2-CB 3.93Å; Y169-P194 HydrophobicContact CE2-CG 4.21Å; Y169-P194 VanDerWaalsContact CZ-CB 3.44Å; Y169-P194 VanDerWaalsContact OH-CB 3.28Å; Y169-P194 WeakPolarHBondContact OH-CB 3.46Å; Y169-L196 HydrophobicContact CE1-CB 4.27Å; Y169-I199 HydrophobicContact CD2-CD1 4.35Å; Y169-I199 HydrophobicContact CE1-CD1 4.03Å; Y169-I199 HydrophobicContact CE1-CG1 4.05Å; Y169-I199 HydrophobicContact CE2-CD1 3.73Å; Y169-F487 HydrophobicContact CD2-CE2 4.11Å; Y169-F487 AromaticContact CE2-CD2 3.92Å; Y169-F487 HydrophobicContact CE2-CD2 3.92Å; Y169-F487 AromaticContact CE2-CE2 3.75Å; Y169-F487 HydrophobicContact CE2-CE2 3.75Å
170	E	98.6	Very high	96.7	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.229	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.7	171	-62.4	176.8	127	0	0	110.5	Q80 D172 V182 K183 F185	Q80-E170 HydrophobicContact CB-CG 4.09Å; Q80-E170 HydrophobicContact CG-CG 3.79Å; E170-D172 PolarHBondContact O-N 3.4Å; E170-V182 CarbonylContact O-C 3.59Å; E170-V182 WeakPolarHBondContact O-CA 3.44Å; E170-V182 WeakPolarHBondContact O-CB 3.33Å; E170-K183 HydrophobicContact CB-CG 4.18Å; E170-K183 PolarHBondContact N-O 2.87Å; E170-K183 PolarHBondContact O-N 3.21Å; E170-F185 HydrophobicContact CG-CB 3.92Å; E170-F185 HydrophobicContact CG-CD2 3.86Å; E170-F185 HydrophobicContact CG-CG 4.11Å
171	L	98.7	Very high	96.8	Very high	39 Å²	39	44.3 Å²	44.3	20%	0.204	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	124.3	169.5	-178.2	65.6	0	0	0	109.8	L22 F161 P163 W174 V180	L22-L171 HydrophobicContact CD1-CD1 4.37Å; F161-L171 WeakPolarHBondContact O-CD2 3.38Å; P163-L171 HydrophobicContact CG-CB 4.23Å; P163-L171 HydrophobicContact CG-CD2 4.31Å; L171-W174 HydrophobicContact CD1-CB 4.28Å; L171-V180 HydrophobicContact CD1-CG1 4.12Å
172	D	98.4	Very high	96.9	Very high	68 Å²	68	40.8 Å²	40.8	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-57.9	168.7	-175.9	26.3	0	0	0	109	E170 K181 K183	E170-D172 PolarHBondContact O-N 3.4Å; D172-K181 HydrophobicContact CB-CB 4.37Å; D172-K181 HydrophobicContact CB-CG 4.13Å; D172-K181 WeakPolarHBondContact CB-O 3.46Å; D172-K181 PolarHBondContact N-O 3.47Å; D172-K181 VanDerWaalsContact OD2-CD 3.28Å; D172-K181 WeakPolarHBondContact OD2-CD 3.42Å; D172-K181 VanDerWaalsContact OD2-CE 3.26Å; D172-K181 WeakPolarHBondContact OD2-CE 3.28Å; D172-K181 IonicContact OD2-NZ 2.83Å; D172-K181 PolarHBondContact OD2-NZ 3.26Å; D172-K183 HydrophobicContact CB-CB 4.32Å; D172-K183 HydrophobicContact CB-CD 4.36Å; D172-K183 HydrophobicContact CB-CG 4.33Å
173	T	97.9	Very high	96.9	Very high	66 Å²	66	41.4 Å²	41.4	41%	0.405	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.6	175.1	-172.7	0	0	0	0	111.3	F179 K181	T173-F179 HydrophobicContact CG2-CE2 3.65Å; T173-F179 HydrophobicContact CG2-CZ 4.27Å; T173-K181 HydrophobicContact CG2-CB 4.16Å; T173-K181 PolarHBondContact N-O 3.38Å; T173-K181 PolarHBondContact O-N 2.83Å
174	W	97.7	Very high	96.9	Very high	34 Å²	34	45 Å²	45	13%	0.129	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113	170.4	-177.3	14.3	0	0	0	109.7	F19 L22 G160 F161 L171 Q176 V180	F19-W174 HydrophobicContact CB-CZ2 4.02Å; L22-W174 HydrophobicContact CD1-CD2 4.03Å; L22-W174 HydrophobicContact CD1-CE3 3.54Å; L22-W174 HydrophobicContact CD1-CZ3 4Å; L22-W174 HydrophobicContact CG-CD2 4.37Å; L22-W174 HydrophobicContact CG-CE3 3.79Å; L22-W174 HydrophobicContact CG-CH2 4.23Å; L22-W174 HydrophobicContact CG-CZ3 3.72Å; G160-W174 VanDerWaalsContact O-CZ3 3.31Å; G160-W174 WeakPolarHBondContact O-CZ3 3.48Å; F161-W174 HydrophobicContact CB-CZ3 4.48Å; F161-W174 AromaticContact CD1-CE3 3.73Å; F161-W174 HydrophobicContact CD1-CE3 3.73Å; F161-W174 AromaticContact CD1-CH2 3.99Å; F161-W174 HydrophobicContact CD1-CH2 3.99Å; F161-W174 AromaticContact CD1-CZ3 3.27Å; F161-W174 HydrophobicContact CD1-CZ3 3.27Å; F161-W174 HydrophobicContact CE1-CE3 4.44Å; F161-W174 AromaticContact CE1-CH2 3.93Å; F161-W174 HydrophobicContact CE1-CH2 3.93Å; F161-W174 AromaticContact CE1-CZ3 3.69Å; F161-W174 HydrophobicContact CE1-CZ3 3.69Å; F161-W174 HydrophobicContact CG-CZ3 4.13Å; L171-W174 HydrophobicContact CD1-CB 4.28Å; W174-Q176 HydrophobicContact CD2-CG 4.47Å; W174-Q176 HydrophobicContact CZ2-CG 4.34Å; W174-V180 HydrophobicContact CB-CG2 4.37Å; W174-V180 HydrophobicContact CD2-CG2 4.09Å; W174-V180 HydrophobicContact CG-CG2 3.69Å
175	N	96	Very high	96.9	Very high	64 Å²	64	45 Å²	45	34%	0.342	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	112.3	163	178.4	-29.4	0	0	0	107.5	T177 D178 F179	N175-T177 PolarHBondContact O-N 3.01Å; N175-T177 PolarHBondContact OD1-N 2.93Å; N175-D178 HydrophobicContact CB-CB 4.01Å; N175-D178 VanDerWaalsContact ND2-CG 3.31Å; N175-D178 PolarHBondContact ND2-OD2 3Å; N175-D178 PolarHBondContact O-N 3.24Å; N175-D178 PolarHBondContact OD1-N 3.41Å; N175-F179 PolarHBondContact N-O 3.02Å; N175-F179 PolarHBondContact O-N 2.82Å; N175-F179 VanDerWaalsContact O-O 3.1Å
176	Q	86.3	Confident	96.8	Very high	120 Å²	120	49.8 Å²	49.8	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.1	-166.6	-71.4	-173.4	66.9	0	0	114.7	F161 W174	F161-Q176 HydrophobicContact CE1-CG 4.44Å; W174-Q176 HydrophobicContact CD2-CG 4.47Å; W174-Q176 HydrophobicContact CZ2-CG 4.34Å
177	T	87.1	Confident	96.7	Very high	94 Å²	94	51.8 Å²	51.8	58%	0.577	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-26.6	179.3	-47.6	0	0	0	0	112.5	N18 N175	N18-T177 PolarHBondContact OD1-O 3.18Å; N175-T177 PolarHBondContact O-N 3.01Å; N175-T177 PolarHBondContact OD1-N 2.93Å
178	D	92.7	Very high	96.7	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-52.3	-167.6	-60	-4	0	0	0	112.9	N175 R202 P203	N175-D178 HydrophobicContact CB-CB 4.01Å; N175-D178 VanDerWaalsContact ND2-CG 3.31Å; N175-D178 PolarHBondContact ND2-OD2 3Å; N175-D178 PolarHBondContact O-N 3.24Å; N175-D178 PolarHBondContact OD1-N 3.41Å; D178-R202 WeakPolarHBondContact O-CG 3.42Å; D178-P203 WeakPolarHBondContact O-CD 3.28Å
179	F	97.5	Very high	96.7	Very high	60 Å²	60	55.3 Å²	55.3	26%	0.263	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	158.7	-176.2	60.4	-93.1	0	0	0	114	T173 N175 K181 T200 W201	T173-F179 HydrophobicContact CG2-CE2 3.65Å; T173-F179 HydrophobicContact CG2-CZ 4.27Å; N175-F179 PolarHBondContact N-O 3.02Å; N175-F179 PolarHBondContact O-N 2.82Å; N175-F179 VanDerWaalsContact O-O 3.1Å; F179-K181 HydrophobicContact CD2-CB 3.81Å; F179-K181 HydrophobicContact CE2-CB 3.79Å; F179-T200 HydrophobicContact CB-CG2 3.91Å; F179-T200 HydrophobicContact CD2-CG2 4.02Å; F179-T200 HydrophobicContact CG-CG2 4.05Å; F179-W201 CarbonylContact C-O 3.56Å; F179-W201 WeakPolarHBondContact CA-O 3.27Å; F179-W201 WeakPolarHBondContact CB-O 3.34Å
180	V	98.5	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.4	161.7	174.8	0	0	0	0	107.8	F19 L22 V35 L171 W174 V182 W201	F19-V180 HydrophobicContact CD2-CB 4.39Å; F19-V180 HydrophobicContact CD2-CG2 3.38Å; F19-V180 HydrophobicContact CE2-CB 4.05Å; F19-V180 HydrophobicContact CE2-CG2 3.51Å; F19-V180 HydrophobicContact CG-CG2 4.2Å; F19-V180 HydrophobicContact CZ-CG2 4.45Å; L22-V180 HydrophobicContact CD1-CG1 4.43Å; L22-V180 HydrophobicContact CD2-CG2 4.31Å; V35-V180 HydrophobicContact CG1-CB 4.27Å; V35-V180 HydrophobicContact CG1-CG1 4.07Å; L171-V180 HydrophobicContact CD1-CG1 4.12Å; W174-V180 HydrophobicContact CB-CG2 4.37Å; W174-V180 HydrophobicContact CD2-CG2 4.09Å; W174-V180 HydrophobicContact CG-CG2 3.69Å; V180-V182 HydrophobicContact CG1-CG1 4.12Å; V180-W201 HydrophobicContact CB-CB 4.3Å; V180-W201 PolarHBondContact N-O 3.25Å; V180-W201 PolarHBondContact O-N 3.3Å
181	K	98.6	Very high	96.6	Very high	65 Å²	65	60.9 Å²	60.9	28%	0.283	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	174.3	-174.3	175.5	174.5	-139.4	0	109.9	D172 T173 F179 I199	D172-K181 HydrophobicContact CB-CB 4.37Å; D172-K181 HydrophobicContact CB-CG 4.13Å; D172-K181 WeakPolarHBondContact CB-O 3.46Å; D172-K181 PolarHBondContact N-O 3.47Å; D172-K181 VanDerWaalsContact OD2-CD 3.28Å; D172-K181 WeakPolarHBondContact OD2-CD 3.42Å; D172-K181 VanDerWaalsContact OD2-CE 3.26Å; D172-K181 WeakPolarHBondContact OD2-CE 3.28Å; D172-K181 IonicContact OD2-NZ 2.83Å; D172-K181 PolarHBondContact OD2-NZ 3.26Å; T173-K181 HydrophobicContact CG2-CB 4.16Å; T173-K181 PolarHBondContact N-O 3.38Å; T173-K181 PolarHBondContact O-N 2.83Å; F179-K181 HydrophobicContact CD2-CB 3.81Å; F179-K181 HydrophobicContact CE2-CB 3.79Å; K181-I199 WeakPolarHBondContact CA-O 3.33Å
182	V	98.7	Very high	96.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.4	178.1	-54.5	0	0	0	0	109.8	F39 Y169 E170 V180 S198 I199	F39-V182 HydrophobicContact CD1-CG1 3.95Å; F39-V182 HydrophobicContact CE1-CG1 3.5Å; F39-V182 VanDerWaalsContact CE1-CG1 3.5Å; Y169-V182 HydrophobicContact CD1-CG2 3.99Å; Y169-V182 HydrophobicContact CG-CB 4.47Å; Y169-V182 HydrophobicContact CG-CG2 3.83Å; E170-V182 CarbonylContact O-C 3.59Å; E170-V182 WeakPolarHBondContact O-CA 3.44Å; E170-V182 WeakPolarHBondContact O-CB 3.33Å; V180-V182 HydrophobicContact CG1-CG1 4.12Å; V182-S198 WeakPolarHBondContact O-CA 3.19Å; V182-S198 WeakPolarHBondContact O-CB 3.32Å; V182-I199 HydrophobicContact CG2-CB 3.73Å; V182-I199 HydrophobicContact CG2-CG1 4.45Å; V182-I199 WeakPolarHBondContact CG2-O 3.39Å; V182-I199 PolarHBondContact N-O 3Å; V182-I199 PolarHBondContact O-N 2.98Å
183	K	98.5	Very high	96.4	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.396	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.6	179.8	65.1	-176.5	-179.3	-175.3	0	110.4	Y169 E170 D172 F185 D197	Y169-K183 CarbonylContact C-O 3.59Å; Y169-K183 WeakPolarHBondContact CA-O 3.34Å; Y169-K183 WeakPolarHBondContact CB-O 3.24Å; E170-K183 HydrophobicContact CB-CG 4.18Å; E170-K183 PolarHBondContact N-O 2.87Å; E170-K183 PolarHBondContact O-N 3.21Å; D172-K183 HydrophobicContact CB-CB 4.32Å; D172-K183 HydrophobicContact CB-CD 4.36Å; D172-K183 HydrophobicContact CB-CG 4.33Å; K183-F185 PolarHBondContact O-N 3.49Å; K183-D197 CarbonylContact C-O 3.52Å; K183-D197 WeakPolarHBondContact CA-O 3.19Å
184	K	98.4	Very high	96.4	Very high	82 Å²	82	57 Å²	57	36%	0.357	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	129.5	177.8	176.2	165.1	-177	166.4	0	112.5	P194 D197	K184-P194 HydrophobicContact CB-CG 4.25Å; K184-P194 HydrophobicContact CD-CG 4.21Å; K184-P194 WeakPolarHBondContact CE-O 3.43Å; K184-P194 HydrophobicContact CG-CG 3.79Å; K184-P194 PolarHBondContact NZ-O 2.82Å; K184-D197 PolarHBondContact N-O 3.02Å
185	F	98.5	Very high	96.4	Very high	17 Å²	17	59.3 Å²	59.3	8%	0.075	34%	0.337	C	S	.	.			trans	-83.9	109.9	172	178.7	-143.5	0	0	0	110.2	Q80 G167 P168 E170 K183 G187 Y188	Q80-F185 HydrophobicContact CB-CE2 4.35Å; Q80-F185 HydrophobicContact CB-CZ 4.45Å; Q80-F185 HydrophobicContact CG-CD1 3.88Å; Q80-F185 HydrophobicContact CG-CD2 4.07Å; Q80-F185 HydrophobicContact CG-CE1 3.98Å; Q80-F185 HydrophobicContact CG-CE2 4.18Å; Q80-F185 HydrophobicContact CG-CG 3.95Å; Q80-F185 HydrophobicContact CG-CZ 4.15Å; G167-F185 WeakPolarHBondContact O-CD1 3.48Å; P168-F185 WeakPolarHBondContact O-CB 3.42Å; P168-F185 PolarHBondContact O-N 2.75Å; E170-F185 HydrophobicContact CG-CB 3.92Å; E170-F185 HydrophobicContact CG-CD2 3.86Å; E170-F185 HydrophobicContact CG-CG 4.11Å; K183-F185 PolarHBondContact O-N 3.49Å; F185-G187 WeakPolarHBondContact CE1-O 3.47Å; F185-G187 PolarHBondContact O-N 2.92Å; F185-Y188 HydrophobicContact CD1-CD2 4.35Å; F185-Y188 WeakPolarHBondContact O-CB 3.48Å; F185-Y188 PolarHBondContact O-N 3.26Å
186	A	97	Very high	96.5	Very high	102 Å²	102	56.3 Å²	56.3	84%	0.843	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26	-178.3	0	0	0	0	0	113.6	Y188	A186-Y188 VanDerWaalsContact C-N 3.33Å
187	G	96.8	Very high	97.1	Very high	41 Å²	41	53.7 Å²	53.7	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15.3	179.4	0	0	0	0	0	114.6	F185 W189	F185-G187 WeakPolarHBondContact CE1-O 3.47Å; F185-G187 PolarHBondContact O-N 2.92Å; G187-W189 PolarHBondContact O-N 3.24Å
188	Y	98.4	Very high	97.6	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.078	29%	0.285	C	S	.	.			trans	-61.9	136.5	-176.6	-171.4	-125.1	0	0	0	111.9	Q41 T166 P168 F185 A186 Q190 L193	Q41-Y188 PolarHBondContact NE2-OH 3.03Å; T166-Y188 VanDerWaalsContact O-CD2 3.31Å; T166-Y188 WeakPolarHBondContact O-CD2 3.41Å; T166-Y188 VanDerWaalsContact O-CE2 3.25Å; T166-Y188 WeakPolarHBondContact O-CE2 3.45Å; P168-Y188 HydrophobicContact CB-CD1 4.02Å; P168-Y188 HydrophobicContact CB-CD2 4.13Å; P168-Y188 HydrophobicContact CB-CE1 3.88Å; P168-Y188 HydrophobicContact CB-CE2 4.01Å; P168-Y188 HydrophobicContact CB-CG 4.14Å; P168-Y188 HydrophobicContact CG-CE2 4.38Å; F185-Y188 HydrophobicContact CD1-CD2 4.35Å; F185-Y188 WeakPolarHBondContact O-CB 3.48Å; F185-Y188 PolarHBondContact O-N 3.26Å; A186-Y188 VanDerWaalsContact C-N 3.33Å; Y188-Q190 VanDerWaalsContact C-N 3.28Å; Y188-Q190 HydrophobicContact CD1-CB 3.98Å; Y188-Q190 HydrophobicContact CE1-CB 3.63Å; Y188-Q190 HydrophobicContact CE1-CG 4.02Å; Y188-Q190 VanDerWaalsContact CZ-OE1 3.23Å; Y188-Q190 PolarHBondContact O-N 2.98Å; Y188-Q190 PolarHBondContact OH-OE1 2.93Å; Y188-L193 HydrophobicContact CD1-CB 3.95Å; Y188-L193 WeakPolarHBondContact CD1-O 3.46Å; Y188-L193 HydrophobicContact CE1-CB 3.89Å
189	W	98.2	Very high	97.9	Very high	64 Å²	64	45.4 Å²	45.4	24%	0.242	26%	0.263	C	S	.	.	S	Bend	trans	-73	-16.1	-168.7	67.7	-88.5	0	0	0	114.3	I77 G187 P191	I77-W189 HydrophobicContact CB-CB 4.35Å; I77-W189 HydrophobicContact CB-CG 4.48Å; I77-W189 HydrophobicContact CD1-CD2 3.82Å; I77-W189 HydrophobicContact CD1-CE3 4.16Å; I77-W189 HydrophobicContact CD1-CG 4.01Å; I77-W189 HydrophobicContact CG1-CB 3.94Å; I77-W189 HydrophobicContact CG1-CD2 4.1Å; I77-W189 HydrophobicContact CG1-CE3 4.41Å; I77-W189 HydrophobicContact CG1-CG 3.89Å; I77-W189 HydrophobicContact CG2-CB 4.2Å; I77-W189 HydrophobicContact CG2-CG 4.07Å; G187-W189 PolarHBondContact O-N 3.24Å; W189-P191 WeakPolarHBondContact O-CD 3.16Å
190	Q	97.5	Very high	98	Very high	39 Å²	39	43.6 Å²	43.6	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-95.8	111.3	172.4	-64.5	174.5	-62.7	0	0	109.8	Y188 G192 L193 E488	Y188-Q190 VanDerWaalsContact C-N 3.28Å; Y188-Q190 HydrophobicContact CD1-CB 3.98Å; Y188-Q190 HydrophobicContact CE1-CB 3.63Å; Y188-Q190 HydrophobicContact CE1-CG 4.02Å; Y188-Q190 VanDerWaalsContact CZ-OE1 3.23Å; Y188-Q190 PolarHBondContact O-N 2.98Å; Y188-Q190 PolarHBondContact OH-OE1 2.93Å; Q190-G192 PolarHBondContact O-N 3.37Å; Q190-L193 HydrophobicContact CB-CB 4.41Å; Q190-L193 HydrophobicContact CB-CD1 4.22Å; Q190-L193 PolarHBondContact O-N 3.36Å; Q190-E488 PolarHBondContact NE2-OE1 2.96Å; Q190-E488 VanDerWaalsContact NE2-OE1 3.12Å
191	P	96.9	Very high	98	Very high	128 Å²	128	43.6 Å²	43.6	83%	0.831	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	137.2	179.5	-24.7	34.9	0	0	0	112.5	W189 L193	W189-P191 WeakPolarHBondContact O-CD 3.16Å; P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 2.86Å
192	G	95.8	Very high	97.9	Very high	66 Å²	66	43.6 Å²	43.6	68%	0.68	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-5.4	178.6	0	0	0	0	0	115.1	Q190	Q190-G192 PolarHBondContact O-N 3.37Å
193	L	97.7	Very high	97.8	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.131	26%	0.262	C	S	.	.			trans	-114.4	157.2	176.7	-65.2	-179.7	0	0	0	112	Y188 Q190 P191 K195 E488	Y188-L193 HydrophobicContact CD1-CB 3.95Å; Y188-L193 WeakPolarHBondContact CD1-O 3.46Å; Y188-L193 HydrophobicContact CE1-CB 3.89Å; Q190-L193 HydrophobicContact CB-CB 4.41Å; Q190-L193 HydrophobicContact CB-CD1 4.22Å; Q190-L193 PolarHBondContact O-N 3.36Å; P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 2.86Å; L193-K195 HydrophobicContact CD2-CG 4.16Å; L193-E488 HydrophobicContact CD1-CG 4.26Å
194	P	97.8	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	25%	0.247	C	C	.	.			cis	-69	165.7	-17.6	32.5	-35.9	0	0	0	111.4	P168 Y169 K184	P168-P194 HydrophobicContact CB-CB 3.95Å; P168-P194 HydrophobicContact CB-CG 3.83Å; P168-P194 VanDerWaalsContact O-CD 3.31Å; P168-P194 WeakPolarHBondContact O-CD 3.47Å; P168-P194 VanDerWaalsContact O-CG 3.28Å; P168-P194 WeakPolarHBondContact O-CG 3.23Å; Y169-P194 HydrophobicContact CD1-CG 4.17Å; Y169-P194 HydrophobicContact CE1-CB 3.92Å; Y169-P194 HydrophobicContact CE1-CG 3.73Å; Y169-P194 HydrophobicContact CE2-CB 3.93Å; Y169-P194 HydrophobicContact CE2-CG 4.21Å; Y169-P194 VanDerWaalsContact CZ-CB 3.44Å; Y169-P194 VanDerWaalsContact OH-CB 3.28Å; Y169-P194 WeakPolarHBondContact OH-CB 3.46Å; K184-P194 HydrophobicContact CB-CG 4.25Å; K184-P194 HydrophobicContact CD-CG 4.21Å; K184-P194 WeakPolarHBondContact CE-O 3.43Å; K184-P194 HydrophobicContact CG-CG 3.79Å; K184-P194 PolarHBondContact NZ-O 2.82Å
195	K	97.5	Very high	97.2	Very high	83 Å²	83	40.7 Å²	40.7	36%	0.361	26%	0.261	S	S	.	.			trans	-89.4	-26.5	176.5	-52.7	-176.6	-177.2	171.8	0	113.6	K9 L193 A490 D491	K9-K195 WeakPolarHBondContact CD-O 3.44Å; L193-K195 HydrophobicContact CD2-CG 4.16Å; K195-A490 WeakPolarHBondContact CB-O 2.99Å; K195-D491 HydrophobicContact CB-CB 4.43Å; K195-D491 HydrophobicContact CD-CB 3.74Å; K195-D491 WeakPolarHBondContact CD-OD2 3.4Å; K195-D491 IonicContact NZ-OD2 2.95Å; K195-D491 PolarHBondContact NZ-OD2 2.91Å
196	L	98.2	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.278	C	S	.	.			trans	-76.1	145.4	174.3	-53.8	-179.9	0	0	0	110.4	K9 V11 Y169 I199 A490 L492	K9-L196 HydrophobicContact CB-CD2 4.07Å; K9-L196 WeakPolarHBondContact O-CA 3.36Å; V11-L196 HydrophobicContact CB-CD1 4.09Å; V11-L196 HydrophobicContact CG2-CD1 3.78Å; V11-L196 HydrophobicContact CG2-CD2 3.87Å; V11-L196 HydrophobicContact CG2-CG 4.42Å; Y169-L196 HydrophobicContact CE1-CB 4.27Å; L196-I199 HydrophobicContact CD1-CD1 4.22Å; L196-I199 HydrophobicContact CD1-CG1 3.93Å; L196-A490 HydrophobicContact CD1-CB 3.88Å; L196-A490 HydrophobicContact CG-CB 4.36Å; L196-L492 HydrophobicContact CD2-CB 4.01Å
197	D	98.2	Very high	96.3	Very high	65 Å²	65	41.1 Å²	41.1	35%	0.348	25%	0.249	S	C	.	.	S	Bend	trans	-82.5	-35.1	175.6	-65.7	-52.1	0	0	0	111.2	A8 K9 K183 K184	A8-D197 WeakPolarHBondContact CA-OD2 3.42Å; K9-D197 PolarHBondContact N-OD2 3.39Å; K9-D197 PolarHBondContact O-N 2.91Å; K183-D197 CarbonylContact C-O 3.52Å; K183-D197 WeakPolarHBondContact CA-O 3.19Å; K184-D197 PolarHBondContact N-O 3.02Å
198	S	98.5	Very high	96.1	Very high	4 Å²	4	43 Å²	43	3%	0.028	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.5	173.8	79.8	0	0	0	0	113.6	D10 V11 V182	D10-S198 VanDerWaalsContact OD1-CB 3.29Å; D10-S198 WeakPolarHBondContact OD1-CB 3.38Å; D10-S198 PolarHBondContact OD1-OG 3.2Å; V11-S198 PolarHBondContact N-O 2.86Å; V11-S198 VanDerWaalsContact N-O 3.07Å; V182-S198 WeakPolarHBondContact O-CA 3.19Å; V182-S198 WeakPolarHBondContact O-CB 3.32Å
199	I	98.7	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.6	166	-56.6	171.5	0	0	0	108.1	V11 V13 Y169 K181 V182 L196 W201 F477 F487	V11-I199 CarbonylContact O-C 3.42Å; V11-I199 WeakPolarHBondContact O-CA 3.24Å; V13-I199 HydrophobicContact CG2-CG2 3.79Å; Y169-I199 HydrophobicContact CD2-CD1 4.35Å; Y169-I199 HydrophobicContact CE1-CD1 4.03Å; Y169-I199 HydrophobicContact CE1-CG1 4.05Å; Y169-I199 HydrophobicContact CE2-CD1 3.73Å; K181-I199 WeakPolarHBondContact CA-O 3.33Å; V182-I199 HydrophobicContact CG2-CB 3.73Å; V182-I199 HydrophobicContact CG2-CG1 4.45Å; V182-I199 WeakPolarHBondContact CG2-O 3.39Å; V182-I199 PolarHBondContact N-O 3Å; V182-I199 PolarHBondContact O-N 2.98Å; L196-I199 HydrophobicContact CD1-CD1 4.22Å; L196-I199 HydrophobicContact CD1-CG1 3.93Å; I199-W201 HydrophobicContact CD1-CZ2 4.43Å; I199-W201 HydrophobicContact CG2-CD2 3.98Å; I199-W201 HydrophobicContact CG2-CG 4.32Å; I199-W201 HydrophobicContact CG2-CZ2 3.92Å; I199-F477 HydrophobicContact CD1-CE2 4.44Å; I199-F487 HydrophobicContact CD1-CD2 3.93Å; I199-F487 HydrophobicContact CD1-CE2 4.17Å
200	T	98.7	Very high	95.8	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.141	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.8	171.9	-57.6	0	0	0	0	109.6	V11 V12 V13 F179	V11-T200 PolarHBondContact O-N 3.2Å; V12-T200 WeakPolarHBondContact CA-O 3.37Å; V13-T200 PolarHBondContact N-O 3.24Å; F179-T200 HydrophobicContact CB-CG2 3.91Å; F179-T200 HydrophobicContact CD2-CG2 4.02Å; F179-T200 HydrophobicContact CG-CG2 4.05Å
201	W	98.6	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.2	175.3	-52.6	95.2	0	0	0	109.6	V13 V15 F19 V35 S38 F179 V180 I199 F477 F485 F487	V13-W201 HydrophobicContact CB-CD2 4.43Å; V13-W201 HydrophobicContact CB-CE3 3.71Å; V13-W201 HydrophobicContact CB-CZ3 4.05Å; V13-W201 HydrophobicContact CG1-CE3 3.68Å; V13-W201 HydrophobicContact CG1-CZ3 3.7Å; V13-W201 HydrophobicContact CG2-CE3 4.12Å; V13-W201 HydrophobicContact CG2-CZ3 4.14Å; V15-W201 HydrophobicContact CG1-CE3 4.28Å; F19-W201 HydrophobicContact CE1-CB 4.48Å; F19-W201 HydrophobicContact CE2-CB 4.29Å; F19-W201 HydrophobicContact CZ-CB 3.67Å; V35-W201 HydrophobicContact CB-CD2 4.37Å; V35-W201 HydrophobicContact CB-CG 4.42Å; V35-W201 HydrophobicContact CG1-CB 4.3Å; V35-W201 HydrophobicContact CG1-CD2 4.19Å; V35-W201 HydrophobicContact CG1-CG 3.8Å; V35-W201 HydrophobicContact CG2-CB 4.14Å; V35-W201 HydrophobicContact CG2-CD2 3.63Å; V35-W201 HydrophobicContact CG2-CE3 3.73Å; V35-W201 HydrophobicContact CG2-CG 3.83Å; V35-W201 HydrophobicContact CG2-CZ3 4.3Å; S38-W201 PolarHBondContact OG-NE1 3Å; F179-W201 CarbonylContact C-O 3.56Å; F179-W201 WeakPolarHBondContact CA-O 3.27Å; F179-W201 WeakPolarHBondContact CB-O 3.34Å; V180-W201 HydrophobicContact CB-CB 4.3Å; V180-W201 PolarHBondContact N-O 3.25Å; V180-W201 PolarHBondContact O-N 3.3Å; I199-W201 HydrophobicContact CD1-CZ2 4.43Å; I199-W201 HydrophobicContact CG2-CD2 3.98Å; I199-W201 HydrophobicContact CG2-CG 4.32Å; I199-W201 HydrophobicContact CG2-CZ2 3.92Å; W201-F477 HydrophobicContact CH2-CE2 4.39Å; W201-F477 AromaticContact CH2-CZ 3.66Å; W201-F477 HydrophobicContact CH2-CZ 3.66Å; W201-F477 AromaticContact CZ3-CZ 3.93Å; W201-F477 HydrophobicContact CZ3-CZ 3.93Å; W201-F485 HydrophobicContact CE3-CD2 4.45Å; W201-F485 HydrophobicContact CE3-CE2 4.25Å; W201-F485 HydrophobicContact CH2-CB 4.17Å; W201-F485 AromaticContact CH2-CD2 3.67Å; W201-F485 HydrophobicContact CH2-CD2 3.67Å; W201-F485 HydrophobicContact CH2-CE2 4.28Å; W201-F485 AromaticContact CH2-CG 3.97Å; W201-F485 HydrophobicContact CH2-CG 3.97Å; W201-F485 HydrophobicContact CZ3-CD1 4.38Å; W201-F485 AromaticContact CZ3-CD2 3.4Å; W201-F485 HydrophobicContact CZ3-CD2 3.4Å; W201-F485 HydrophobicContact CZ3-CE1 4.49Å; W201-F485 AromaticContact CZ3-CE2 3.55Å; W201-F485 HydrophobicContact CZ3-CE2 3.55Å; W201-F485 AromaticContact CZ3-CG 3.86Å; W201-F485 HydrophobicContact CZ3-CG 3.86Å; W201-F485 HydrophobicContact CZ3-CZ 4.11Å; W201-F487 HydrophobicContact CH2-CD1 4.11Å; W201-F487 AromaticContact CH2-CE1 3.85Å; W201-F487 HydrophobicContact CH2-CE1 3.85Å; W201-F487 HydrophobicContact CH2-CZ 4.48Å; W201-F487 HydrophobicContact CZ2-CD1 4.4Å; W201-F487 AromaticContact CZ2-CE1 3.87Å; W201-F487 HydrophobicContact CZ2-CE1 3.87Å; W201-F487 HydrophobicContact CZ2-CZ 4.04Å
202	R	98.2	Very high	95.7	Very high	64 Å²	64	36.3 Å²	36.3	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.3	-174.1	-164.9	167.7	91.1	-178.4	16.7	111.5	V12 V13 A14 V15 D178 V204 M213 E218	V12-R202 HydrophobicContact CG1-CB 4.44Å; V13-R202 PolarHBondContact O-N 3.01Å; A14-R202 WeakPolarHBondContact CA-O 3.22Å; V15-R202 PolarHBondContact N-O 2.88Å; D178-R202 WeakPolarHBondContact O-CG 3.42Å; R202-V204 HydrophobicContact CG-CG2 4.32Å; R202-V204 PolarHBondContact O-N 2.78Å; R202-M213 VanDerWaalsContact NE-CE 3.33Å; R202-M213 PolarHBondContact NH2-SD 2.72Å; R202-E218 IonicContact CZ-OE1 3.15Å; R202-E218 IonicContact NH1-OE1 2.69Å; R202-E218 PolarHBondContact NH1-OE1 2.69Å; R202-E218 VanDerWaalsContact NH2-CD 3.27Å; R202-E218 IonicContact NH2-OE1 2.7Å; R202-E218 PolarHBondContact NH2-OE1 2.81Å; R202-E218 IonicContact NH2-OE2 3.77Å
203	P	96.2	Very high	95.8	Very high	20 Å²	20	33.3 Å²	33.3	13%	0.13	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	128.7	167.9	-26.5	38	0	0	0	112	V15 S17 N18 F19 D178	V15-P203 HydrophobicContact CG2-CG 4.38Å; V15-P203 CarbonylContact O-C 3.56Å; S17-P203 WeakPolarHBondContact O-CB 3.48Å; N18-P203 WeakPolarHBondContact OD1-CB 3.43Å; N18-P203 WeakPolarHBondContact OD1-CG 3.41Å; F19-P203 HydrophobicContact CD2-CG 4.17Å; F19-P203 HydrophobicContact CE2-CG 3.59Å; F19-P203 HydrophobicContact CZ-CG 3.87Å; D178-P203 WeakPolarHBondContact O-CD 3.28Å
204	V	94.9	Very high	95.9	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.085	19%	0.187	C	C	.	.			trans	-138.6	94.8	178.2	-173.9	0	0	0	0	107.9	A14 V15 R202 T209 R210 M213	A14-V204 HydrophobicContact CB-CG2 4.13Å; V15-V204 PolarHBondContact O-N 2.85Å; R202-V204 HydrophobicContact CG-CG2 4.32Å; R202-V204 PolarHBondContact O-N 2.78Å; V204-T209 HydrophobicContact CG1-CG2 3.87Å; V204-R210 HydrophobicContact CB-CB 4.06Å; V204-R210 HydrophobicContact CB-CG 4.35Å; V204-R210 HydrophobicContact CG1-CB 3.82Å; V204-R210 PolarHBondContact O-NH1 3.45Å; V204-M213 HydrophobicContact CB-SD 4.5Å; V204-M213 HydrophobicContact CG1-SD 4.24Å; V204-M213 HydrophobicContact CG2-CE 4.3Å; V204-M213 HydrophobicContact CG2-SD 3.6Å
205	A	88.3	Confident	95.8	Very high	78 Å²	78	36.4 Å²	36.4	65%	0.645	21%	0.205	S	C	*	.			trans	-66.7	-38.4	-175.7	0	0	0	0	0	112.6	N207	A205-N207 PolarHBondContact O-N 3.05Å
206	D	90.7	Very high	95.8	Very high	83 Å²	83	37.4 Å²	37.4	44%	0.444	22%	0.218	S	C	.	.	S	Bend	trans	-70.2	118.8	176	-174.7	-88.7	0	0	0	111	N208 T209 R210	D206-N208 VanDerWaalsContact C-N 3.33Å; D206-N208 PolarHBondContact O-N 2.62Å; D206-N208 WeakPolarHBondContact OD1-CA 3.31Å; D206-N208 WeakPolarHBondContact OD1-CB 3.45Å; D206-N208 PolarHBondContact OD1-N 2.98Å; D206-T209 PolarHBondContact O-N 3.15Å; D206-T209 PolarHBondContact OD1-N 2.93Å; D206-T209 PolarHBondContact OD1-OG1 2.84Å; D206-R210 PolarHBondContact O-N 3.1Å; D206-R210 VanDerWaalsContact O-N 3.1Å
207	N	87.4	Confident	95.7	Very high	45 Å²	45	39.4 Å²	39.4	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-37	-174.9	-64.7	-36.1	0	0	0	112.6	A205 R210 A211 P226 H338	A205-N207 PolarHBondContact O-N 3.05Å; N207-R210 PolarHBondContact OD1-NH1 3.22Å; N207-R210 PolarHBondContact OD1-NH2 2.97Å; N207-A211 PolarHBondContact O-N 3.38Å; N207-P226 HydrophobicContact CB-CB 3.92Å; N207-P226 HydrophobicContact CB-CG 3.92Å; N207-P226 WeakPolarHBondContact O-CD 3.25Å; N207-P226 WeakPolarHBondContact O-CG 3.19Å; N207-H338 PolarHBondContact ND2-O 2.81Å
208	N	91	Very high	95.7	Very high	81 Å²	81	40.8 Å²	40.8	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-74.3	-41.7	-177.4	-69.1	-41.1	0	0	0	110.8	D206 R210 A211 A212 Q229	D206-N208 VanDerWaalsContact C-N 3.33Å; D206-N208 PolarHBondContact O-N 2.62Å; D206-N208 WeakPolarHBondContact OD1-CA 3.31Å; D206-N208 WeakPolarHBondContact OD1-CB 3.45Å; D206-N208 PolarHBondContact OD1-N 2.98Å; N208-R210 VanDerWaalsContact C-N 3.29Å; N208-R210 PolarHBondContact O-N 3.34Å; N208-A211 PolarHBondContact O-N 2.85Å; N208-A212 WeakPolarHBondContact O-CB 3.39Å; N208-A212 PolarHBondContact O-N 2.91Å; N208-Q229 PolarHBondContact OD1-NE2 3.1Å
209	T	95.7	Very high	95.7	Very high	70 Å²	70	40.7 Å²	40.7	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-43.7	173	-60	0	0	0	0	110.9	V204 D206 A211 A212 M213	V204-T209 HydrophobicContact CG1-CG2 3.87Å; D206-T209 PolarHBondContact O-N 3.15Å; D206-T209 PolarHBondContact OD1-N 2.93Å; D206-T209 PolarHBondContact OD1-OG1 2.84Å; T209-A211 VanDerWaalsContact C-N 3.32Å; T209-A211 PolarHBondContact O-N 2.99Å; T209-A212 WeakPolarHBondContact O-CB 3.44Å; T209-A212 PolarHBondContact O-N 2.99Å; T209-A212 VanDerWaalsContact O-N 3.11Å; T209-M213 WeakPolarHBondContact O-CG 3.43Å; T209-M213 PolarHBondContact O-N 3.46Å
210	R	95	Very high	95.6	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-41.4	178.8	-174	165.6	64.3	-99.8	-5.9	112.7	A14 V204 D206 N207 N208 A222 P224	A14-R210 HydrophobicContact CB-CG 3.79Å; V204-R210 HydrophobicContact CB-CB 4.06Å; V204-R210 HydrophobicContact CB-CG 4.35Å; V204-R210 HydrophobicContact CG1-CB 3.82Å; V204-R210 PolarHBondContact O-NH1 3.45Å; D206-R210 PolarHBondContact O-N 3.1Å; D206-R210 VanDerWaalsContact O-N 3.1Å; N207-R210 PolarHBondContact OD1-NH1 3.22Å; N207-R210 PolarHBondContact OD1-NH2 2.97Å; N208-R210 VanDerWaalsContact C-N 3.29Å; N208-R210 PolarHBondContact O-N 3.34Å; R210-A222 HydrophobicContact CG-CB 3.97Å; R210-P224 PolarHBondContact NE-O 3.39Å; R210-P224 PolarHBondContact NH2-O 3Å
211	A	96.1	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.3	-38.6	173.4	0	0	0	0	0	112.6	N207 N208 T209 M213 L214 P226 Q229 L233	N207-A211 PolarHBondContact O-N 3.38Å; N208-A211 PolarHBondContact O-N 2.85Å; T209-A211 VanDerWaalsContact C-N 3.32Å; T209-A211 PolarHBondContact O-N 2.99Å; A211-M213 VanDerWaalsContact C-N 3.31Å; A211-M213 PolarHBondContact O-N 3Å; A211-L214 WeakPolarHBondContact O-CB 3.33Å; A211-L214 PolarHBondContact O-N 3.27Å; A211-P226 HydrophobicContact CB-CG 4.33Å; A211-Q229 HydrophobicContact CB-CB 3.69Å; A211-Q229 HydrophobicContact CB-CG 3.75Å; A211-L233 HydrophobicContact CB-CD1 4.08Å
212	A	96.9	Very high	95.6	Very high	39 Å²	39	41.1 Å²	41.1	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-35	179.6	0	0	0	0	0	112.6	N208 T209 L214 Q215 T216	N208-A212 WeakPolarHBondContact O-CB 3.39Å; N208-A212 PolarHBondContact O-N 2.91Å; T209-A212 WeakPolarHBondContact O-CB 3.44Å; T209-A212 PolarHBondContact O-N 2.99Å; T209-A212 VanDerWaalsContact O-N 3.11Å; A212-L214 PolarHBondContact O-N 2.79Å; A212-Q215 WeakPolarHBondContact O-CA 3.41Å; A212-Q215 WeakPolarHBondContact O-CB 3.26Å; A212-Q215 PolarHBondContact O-N 3.39Å; A212-T216 PolarHBondContact O-N 2.78Å
213	M	98.3	Very high	95.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-31	176.2	-72	170.3	57.2	0	0	113.8	V12 A14 R202 V204 T209 A211 Q215 T216 G217 E218 A219	V12-M213 HydrophobicContact CG1-CE 4.45Å; A14-M213 HydrophobicContact CB-CE 3.71Å; A14-M213 HydrophobicContact CB-SD 4.08Å; R202-M213 VanDerWaalsContact NE-CE 3.33Å; R202-M213 PolarHBondContact NH2-SD 2.72Å; V204-M213 HydrophobicContact CB-SD 4.5Å; V204-M213 HydrophobicContact CG1-SD 4.24Å; V204-M213 HydrophobicContact CG2-CE 4.3Å; V204-M213 HydrophobicContact CG2-SD 3.6Å; T209-M213 WeakPolarHBondContact O-CG 3.43Å; T209-M213 PolarHBondContact O-N 3.46Å; A211-M213 VanDerWaalsContact C-N 3.31Å; A211-M213 PolarHBondContact O-N 3Å; M213-Q215 VanDerWaalsContact C-N 3.33Å; M213-T216 PolarHBondContact O-OG1 3.04Å; M213-G217 PolarHBondContact O-N 2.85Å; M213-E218 HydrophobicContact CB-CB 4.3Å; M213-E218 HydrophobicContact CE-CG 4.43Å; M213-E218 HydrophobicContact CG-CB 4.44Å; M213-E218 PolarHBondContact O-N 2.87Å; M213-A219 HydrophobicContact CB-CB 4.05Å; M213-A219 HydrophobicContact CE-CB 3.67Å; M213-A219 PolarHBondContact O-N 2.85Å
214	L	98	Very high	95.3	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-35.8	172.4	-73.9	170.6	0	0	0	111.5	A211 A212 G217 A222 I225 L233 I239 A469	A211-L214 WeakPolarHBondContact O-CB 3.33Å; A211-L214 PolarHBondContact O-N 3.27Å; A212-L214 PolarHBondContact O-N 2.79Å; L214-G217 PolarHBondContact O-N 3.37Å; L214-A222 HydrophobicContact CD1-CB 3.68Å; L214-A222 HydrophobicContact CD2-CB 4.25Å; L214-A222 HydrophobicContact CG-CB 3.8Å; L214-I225 HydrophobicContact CD1-CD1 3.84Å; L214-L233 HydrophobicContact CB-CD2 4.3Å; L214-L233 HydrophobicContact CD1-CD1 4.14Å; L214-L233 HydrophobicContact CD1-CD2 4.49Å; L214-I239 HydrophobicContact CB-CD1 3.89Å; L214-A469 HydrophobicContact CD1-CB 3.48Å; L214-A469 VanDerWaalsContact CD1-CB 3.48Å
215	Q	96.6	Very high	95.2	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	24%	0.242	S	C	.	.	H	α-helix	trans	-72.2	-37.4	-178.7	-59.5	-174.7	-6	0	0	112.5	A212 M213 G217 L232 L233 I239	A212-Q215 WeakPolarHBondContact O-CA 3.41Å; A212-Q215 WeakPolarHBondContact O-CB 3.26Å; A212-Q215 PolarHBondContact O-N 3.39Å; M213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-G217 VanDerWaalsContact C-N 3.25Å; Q215-L232 VanDerWaalsContact NE2-CG 3.31Å; Q215-L233 HydrophobicContact CG-CD2 3.69Å; Q215-I239 HydrophobicContact CG-CD1 4.27Å
216	T	96.9	Very high	95.2	Very high	103 Å²	103	37.2 Å²	37.2	63%	0.632	22%	0.216	S	C	*	.	H	α-helix	trans	-77.5	-13.6	175.8	60.6	0	0	0	0	112.5	A212 M213 E218	A212-T216 PolarHBondContact O-N 2.78Å; M213-T216 PolarHBondContact O-OG1 3.04Å; T216-E218 WeakPolarHBondContact OG1-CB 3.02Å; T216-E218 PolarHBondContact OG1-N 3.12Å
217	G	96.4	Very high	95.1	Very high	42 Å²	42	35 Å²	35	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	8.2	-172.9	0	0	0	0	0	113.7	M213 L214 Q215 A219 Q220	M213-G217 PolarHBondContact O-N 2.85Å; L214-G217 PolarHBondContact O-N 3.37Å; Q215-G217 VanDerWaalsContact C-N 3.25Å; G217-A219 VanDerWaalsContact C-N 3.26Å; G217-A219 PolarHBondContact O-N 2.94Å; G217-Q220 PolarHBondContact O-NE2 3.05Å
218	E	97.8	Very high	95.1	Very high	95 Å²	95	38.4 Å²	38.4	44%	0.444	22%	0.217	S	C	.	.	S	Bend	trans	-67.6	-27.4	176	-170.9	-178.4	174.4	0	0	112.2	V12 R202 M213 T216	V12-E218 WeakPolarHBondContact CB-O 3.37Å; R202-E218 IonicContact CZ-OE1 3.15Å; R202-E218 IonicContact NH1-OE1 2.69Å; R202-E218 PolarHBondContact NH1-OE1 2.69Å; R202-E218 VanDerWaalsContact NH2-CD 3.27Å; R202-E218 IonicContact NH2-OE1 2.7Å; R202-E218 PolarHBondContact NH2-OE1 2.81Å; R202-E218 IonicContact NH2-OE2 3.77Å; M213-E218 HydrophobicContact CB-CB 4.3Å; M213-E218 HydrophobicContact CE-CG 4.43Å; M213-E218 HydrophobicContact CG-CB 4.44Å; M213-E218 PolarHBondContact O-N 2.87Å; T216-E218 WeakPolarHBondContact OG1-CB 3.02Å; T216-E218 PolarHBondContact OG1-N 3.12Å
219	A	98.4	Very high	95.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.205	C	C	.	.			trans	-124.6	148.6	164.3	0	0	0	0	0	111.6	V12 A14 M213 G217	V12-A219 HydrophobicContact CB-CB 4.35Å; V12-A219 HydrophobicContact CG1-CB 4.12Å; V12-A219 WeakPolarHBondContact O-CB 3.33Å; A14-A219 HydrophobicContact CB-CB 4.08Å; M213-A219 HydrophobicContact CB-CB 4.05Å; M213-A219 HydrophobicContact CE-CB 3.67Å; M213-A219 PolarHBondContact O-N 2.85Å; G217-A219 VanDerWaalsContact C-N 3.26Å; G217-A219 PolarHBondContact O-N 2.94Å
220	Q	98.6	Very high	95	Very high	33 Å²	33	33.2 Å²	33.2	15%	0.154	19%	0.185	C	C	.	.	S	Bend	trans	-100.1	-14.7	175.5	-64.9	69.9	38.4	0	0	111.8	V11 V12 G217 H470 S471 L474 L492	V11-Q220 HydrophobicContact CG1-CB 4.22Å; V12-Q220 PolarHBondContact O-N 2.98Å; G217-Q220 PolarHBondContact O-NE2 3.05Å; Q220-H470 CarbonylContact O-C 3.58Å; Q220-H470 WeakPolarHBondContact O-CA 3.47Å; Q220-H470 WeakPolarHBondContact O-CB 3.33Å; Q220-S471 PolarHBondContact O-N 2.91Å; Q220-L474 HydrophobicContact CB-CB 4.26Å; Q220-L474 HydrophobicContact CB-CD2 4.07Å; Q220-L492 HydrophobicContact CG-CD1 4.24Å
221	F	98.6	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143	171.7	-167.3	-80	0	0	0	110.1	V12 V13 A14 F223 H470 L474 F477 I479 F485	V12-F221 PolarHBondContact O-N 2.65Å; V13-F221 CarbonylContact C-O 3.55Å; V13-F221 WeakPolarHBondContact CA-O 3.43Å; V13-F221 HydrophobicContact CG1-CB 4.17Å; V13-F221 HydrophobicContact CG1-CD1 3.9Å; V13-F221 HydrophobicContact CG1-CG 4.41Å; V13-F221 HydrophobicContact CG2-CB 4.27Å; A14-F221 PolarHBondContact N-O 2.81Å; F221-F223 HydrophobicContact CE1-CB 3.84Å; F221-H470 HydrophobicContact CB-CB 4.39Å; F221-H470 HydrophobicContact CD2-CB 3.58Å; F221-H470 HydrophobicContact CE2-CB 4.21Å; F221-H470 HydrophobicContact CG-CB 4.3Å; F221-L474 HydrophobicContact CB-CD2 3.83Å; F221-L474 HydrophobicContact CD2-CD2 4.25Å; F221-F477 HydrophobicContact CD1-CD1 4.38Å; F221-F477 HydrophobicContact CD1-CE1 4.09Å; F221-F477 HydrophobicContact CD2-CB 4.41Å; F221-F477 AromaticContact CD2-CD1 3.39Å; F221-F477 HydrophobicContact CD2-CD1 3.39Å; F221-F477 AromaticContact CD2-CE1 3.92Å; F221-F477 HydrophobicContact CD2-CE1 3.92Å; F221-F477 HydrophobicContact CD2-CG 4.12Å; F221-F477 HydrophobicContact CE1-CE1 4.28Å; F221-F477 AromaticContact CE2-CD1 3.57Å; F221-F477 HydrophobicContact CE2-CD1 3.57Å; F221-F477 HydrophobicContact CE2-CE1 4.15Å; F221-F477 AromaticContact CG-CD1 3.87Å; F221-F477 HydrophobicContact CG-CD1 3.87Å; F221-F477 AromaticContact CG-CE1 3.92Å; F221-F477 HydrophobicContact CG-CE1 3.92Å; F221-F477 HydrophobicContact CZ-CD1 4.14Å; F221-F477 HydrophobicContact CZ-CE1 4.32Å; F221-I479 HydrophobicContact CZ-CB 4.37Å; F221-F485 HydrophobicContact CD1-CE1 4.45Å; F221-F485 HydrophobicContact CE1-CD1 4.2Å; F221-F485 AromaticContact CE1-CE1 3.89Å; F221-F485 HydrophobicContact CE1-CE1 3.89Å
222	A	97.9	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.5	171.3	0	0	0	0	0	113.1	A14 R210 L214 I225 A469	A14-A222 HydrophobicContact CB-CB 4.01Å; A14-A222 WeakPolarHBondContact O-CA 3.31Å; R210-A222 HydrophobicContact CG-CB 3.97Å; L214-A222 HydrophobicContact CD1-CB 3.68Å; L214-A222 HydrophobicContact CD2-CB 4.25Å; L214-A222 HydrophobicContact CG-CB 3.8Å; A222-I225 HydrophobicContact CB-CD1 3.9Å; A222-A469 PolarHBondContact N-O 3.49Å; A222-A469 PolarHBondContact O-N 3.46Å; A222-A469 VanDerWaalsContact O-N 3.13Å
223	F	95.1	Very high	94.8	Very high	27 Å²	27	38 Å²	38	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	140.9	173.6	171	-95.2	0	0	0	111.5	A14 V15 G16 F221 L466 I479 T483 F485	A14-F223 PolarHBondContact O-N 3.48Å; V15-F223 WeakPolarHBondContact CA-O 3.46Å; G16-F223 PolarHBondContact N-O 3.15Å; F221-F223 HydrophobicContact CE1-CB 3.84Å; F223-L466 HydrophobicContact CE2-CB 3.94Å; F223-L466 HydrophobicContact CE2-CD2 4.11Å; F223-L466 HydrophobicContact CE2-CG 4.44Å; F223-L466 HydrophobicContact CZ-CD2 4.07Å; F223-I479 HydrophobicContact CB-CD1 4.16Å; F223-I479 HydrophobicContact CD1-CD1 3.54Å; F223-I479 HydrophobicContact CD1-CG1 4.49Å; F223-I479 HydrophobicContact CD2-CD1 3.85Å; F223-I479 HydrophobicContact CD2-CG1 4.02Å; F223-I479 HydrophobicContact CE1-CD1 3.84Å; F223-I479 HydrophobicContact CE2-CD1 4.15Å; F223-I479 HydrophobicContact CE2-CG1 4.11Å; F223-I479 HydrophobicContact CG-CD1 3.55Å; F223-I479 HydrophobicContact CG-CG1 4.24Å; F223-I479 HydrophobicContact CZ-CD1 4.15Å; F223-I479 HydrophobicContact CZ-CG1 4.37Å; F223-T483 HydrophobicContact CE1-CG2 4.35Å; F223-T483 HydrophobicContact CZ-CG2 3.99Å; F223-F485 HydrophobicContact CB-CE1 4.44Å
224	P	92	Very high	94.7	Very high	48 Å²	48	44.1 Å²	44.1	31%	0.312	24%	0.24	S	C	.	.	S	Bend	cis	-77.3	153.9	-8.5	30.4	-33	0	0	0	112.3	R210	R210-P224 PolarHBondContact NE-O 3.39Å; R210-P224 PolarHBondContact NH2-O 3Å
225	I	94	Very high	94.6	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-88.9	127.8	171	-63.2	-57.1	0	0	0	109.4	L214 A222 Q229 A230 L233 L241 V467 A469	L214-I225 HydrophobicContact CD1-CD1 3.84Å; A222-I225 HydrophobicContact CB-CD1 3.9Å; I225-Q229 HydrophobicContact CG2-CB 4.5Å; I225-A230 HydrophobicContact CG2-CB 4.48Å; I225-L233 HydrophobicContact CD1-CD1 3.78Å; I225-L233 HydrophobicContact CG1-CD1 4.2Å; I225-L233 HydrophobicContact CG2-CD1 3.69Å; I225-L241 HydrophobicContact CG2-CD1 4.38Å; I225-V467 HydrophobicContact CB-CB 4.3Å; I225-V467 HydrophobicContact CB-CG1 3.86Å; I225-V467 HydrophobicContact CG2-CG1 4.17Å; I225-V467 PolarHBondContact N-O 3Å; I225-A469 HydrophobicContact CD1-CB 4.08Å; I225-A469 HydrophobicContact CG1-CB 3.91Å
226	P	88.7	Confident	94.7	Very high	15 Å²	15	50.3 Å²	50.3	10%	0.097	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.6	139.1	170.8	26.8	-33.7	0	0	0	110.5	N207 A211 E228 Q229 A230	N207-P226 HydrophobicContact CB-CB 3.92Å; N207-P226 HydrophobicContact CB-CG 3.92Å; N207-P226 WeakPolarHBondContact O-CD 3.25Å; N207-P226 WeakPolarHBondContact O-CG 3.19Å; A211-P226 HydrophobicContact CB-CG 4.33Å; P226-E228 PolarHBondContact O-N 3.08Å; P226-Q229 HydrophobicContact CB-CG 4.44Å; P226-Q229 HydrophobicContact CG-CB 3.88Å; P226-Q229 HydrophobicContact CG-CG 3.5Å; P226-Q229 PolarHBondContact O-N 3.36Å; P226-A230 PolarHBondContact O-N 2.96Å
227	Y	88.5	Confident	94.7	Very high	35 Å²	35	53.5 Å²	53.5	14%	0.137	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-32.3	-173.1	-54.4	-40.2	0	0	0	113.3	Q229 A230 F284 A285 Y287 T340 V467	Y227-Q229 PolarHBondContact O-N 2.92Å; Y227-A230 WeakPolarHBondContact O-CB 3.29Å; Y227-A230 PolarHBondContact O-N 3.19Å; Y227-A230 VanDerWaalsContact O-N 3.11Å; Y227-F284 WeakPolarHBondContact CD2-O 3.47Å; Y227-F284 VanDerWaalsContact CE2-CA 3.43Å; Y227-F284 HydrophobicContact CE2-CB 4.14Å; Y227-F284 HydrophobicContact CE2-CD1 4.27Å; Y227-F284 WeakPolarHBondContact CE2-O 3.37Å; Y227-A285 HydrophobicContact CD2-CB 4.12Å; Y227-A285 HydrophobicContact CG-CB 3.99Å; Y227-Y287 AromaticContact CD1-CD2 3.32Å; Y227-Y287 HydrophobicContact CD1-CD2 3.32Å; Y227-Y287 HydrophobicContact CD1-CE2 4.05Å; Y227-Y287 AromaticContact CD1-CG 3.94Å; Y227-Y287 HydrophobicContact CD1-CG 3.94Å; Y227-Y287 AromaticContact CE1-CD2 3.84Å; Y227-Y287 HydrophobicContact CE1-CD2 3.84Å; Y227-Y287 AromaticContact CE1-CG 3.99Å; Y227-Y287 HydrophobicContact CE1-CG 3.99Å; Y227-Y287 AromaticContact CG-CD2 3.86Å; Y227-Y287 HydrophobicContact CG-CD2 3.86Å; Y227-T340 HydrophobicContact CD2-CG2 4.29Å; Y227-T340 HydrophobicContact CE2-CG2 3.42Å; Y227-T340 VanDerWaalsContact CE2-CG2 3.42Å; Y227-V467 HydrophobicContact CD1-CG2 4.02Å; Y227-V467 HydrophobicContact CE1-CB 4.48Å; Y227-V467 HydrophobicContact CE1-CG2 3.7Å
228	E	86.1	Confident	94.7	Very high	118 Å²	118	56.2 Å²	56.2	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-61	-25.9	175.1	-65.4	80.8	-177.6	0	0	112.5	P226 K343	P226-E228 PolarHBondContact O-N 3.08Å; E228-K343 IonicContact OE1-NZ 3.56Å; E228-K343 PolarHBondContact OE1-NZ 2.81Å
229	Q	92.6	Very high	94.8	Very high	42 Å²	42	52.2 Å²	52.2	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-93.9	-12.1	177.8	-57.5	-62.7	-26.9	0	0	113	N208 A211 I225 P226 Y227 A231 L232 L233	N208-Q229 PolarHBondContact OD1-NE2 3.1Å; A211-Q229 HydrophobicContact CB-CB 3.69Å; A211-Q229 HydrophobicContact CB-CG 3.75Å; I225-Q229 HydrophobicContact CG2-CB 4.5Å; P226-Q229 HydrophobicContact CB-CG 4.44Å; P226-Q229 HydrophobicContact CG-CB 3.88Å; P226-Q229 HydrophobicContact CG-CG 3.5Å; P226-Q229 PolarHBondContact O-N 3.36Å; Y227-Q229 PolarHBondContact O-N 2.92Å; Q229-A231 PolarHBondContact O-N 3.02Å; Q229-L232 WeakPolarHBondContact O-CB 3.27Å; Q229-L232 PolarHBondContact O-N 3.27Å; Q229-L232 VanDerWaalsContact O-N 3.14Å; Q229-L233 WeakPolarHBondContact O-CG 2.92Å; Q229-L233 PolarHBondContact O-N 3.34Å
230	A	93.1	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-50.3	-173	0	0	0	0	0	111.9	I225 P226 Y227 L232 L233 E234 L241 Y287 V467	I225-A230 HydrophobicContact CG2-CB 4.48Å; P226-A230 PolarHBondContact O-N 2.96Å; Y227-A230 WeakPolarHBondContact O-CB 3.29Å; Y227-A230 PolarHBondContact O-N 3.19Å; Y227-A230 VanDerWaalsContact O-N 3.11Å; A230-L232 PolarHBondContact O-N 2.95Å; A230-L233 PolarHBondContact O-N 3.47Å; A230-E234 WeakPolarHBondContact O-CB 3.41Å; A230-E234 PolarHBondContact O-N 3.03Å; A230-L241 VanDerWaalsContact CA-CD1 3.46Å; A230-L241 HydrophobicContact CB-CD1 3.66Å; A230-L241 WeakPolarHBondContact O-CD1 3.35Å; A230-Y287 HydrophobicContact CB-CE2 3.8Å; A230-Y287 VanDerWaalsContact CB-OH 3.27Å; A230-Y287 WeakPolarHBondContact CB-OH 3.46Å; A230-V467 HydrophobicContact CB-CG1 4.44Å
231	A	92.4	Very high	94.6	Very high	53 Å²	53	56.2 Å²	56.2	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-26.3	178.3	0	0	0	0	0	113.4	Q229 K235	Q229-A231 PolarHBondContact O-N 3.02Å; A231-K235 WeakPolarHBondContact O-CD 3.08Å; A231-K235 VanDerWaalsContact O-CG 3.27Å; A231-K235 WeakPolarHBondContact O-CG 3.15Å
232	L	94.8	Very high	94.4	Very high	87 Å²	87	58.1 Å²	58.1	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-45.3	175.7	-178.7	64	0	0	0	110.9	Q215 Q229 A230 K235	Q215-L232 VanDerWaalsContact NE2-CG 3.31Å; Q229-L232 WeakPolarHBondContact O-CB 3.27Å; Q229-L232 PolarHBondContact O-N 3.27Å; Q229-L232 VanDerWaalsContact O-N 3.14Å; A230-L232 PolarHBondContact O-N 2.95Å; L232-K235 PolarHBondContact O-N 2.83Å
233	L	96.8	Very high	94.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-39.6	178.6	-66.9	175.1	0	0	0	112.3	A211 L214 Q215 I225 Q229 A230 K235 N236 I239 L241 A469	A211-L233 HydrophobicContact CB-CD1 4.08Å; L214-L233 HydrophobicContact CB-CD2 4.3Å; L214-L233 HydrophobicContact CD1-CD1 4.14Å; L214-L233 HydrophobicContact CD1-CD2 4.49Å; Q215-L233 HydrophobicContact CG-CD2 3.69Å; I225-L233 HydrophobicContact CD1-CD1 3.78Å; I225-L233 HydrophobicContact CG1-CD1 4.2Å; I225-L233 HydrophobicContact CG2-CD1 3.69Å; Q229-L233 WeakPolarHBondContact O-CG 2.92Å; Q229-L233 PolarHBondContact O-N 3.34Å; A230-L233 PolarHBondContact O-N 3.47Å; L233-K235 PolarHBondContact O-N 3.3Å; L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 3.22Å; L233-I239 HydrophobicContact CB-CG2 4.31Å; L233-I239 HydrophobicContact CD2-CD1 3.71Å; L233-L241 HydrophobicContact CB-CD1 4.1Å; L233-A469 HydrophobicContact CD1-CB 4.16Å
234	E	95.7	Very high	93.8	Very high	131 Å²	131	60.4 Å²	60.4	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-61.1	-32	177.3	-174.7	176.7	-153.5	0	0	112.6	A230 N236 L241	A230-E234 WeakPolarHBondContact O-CB 3.41Å; A230-E234 PolarHBondContact O-N 3.03Å; E234-N236 VanDerWaalsContact C-N 3.3Å; E234-N236 PolarHBondContact O-N 3.34Å; E234-L241 HydrophobicContact CB-CB 4.36Å
235	K	96.4	Very high	93.6	Very high	178 Å²	178	62.1 Å²	62.1	77%	0.774	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.6	175.8	-72.6	173.6	-175.6	178.7	0	113.6	A231 L232 L233 K237	A231-K235 WeakPolarHBondContact O-CD 3.08Å; A231-K235 VanDerWaalsContact O-CG 3.27Å; A231-K235 WeakPolarHBondContact O-CG 3.15Å; L232-K235 PolarHBondContact O-N 2.83Å; L233-K235 PolarHBondContact O-N 3.3Å; K235-K237 PolarHBondContact O-N 2.74Å
236	N	97.2	Very high	93.5	Very high	45 Å²	45	62 Å²	62	24%	0.241	32%	0.321	C	S	.	.			trans	-81	116.4	-178.4	-173.1	-29.9	0	0	0	110.2	L233 E234 N238 I239	L233-N236 WeakPolarHBondContact O-CB 3.43Å; L233-N236 PolarHBondContact O-N 3.22Å; E234-N236 VanDerWaalsContact C-N 3.3Å; E234-N236 PolarHBondContact O-N 3.34Å; N236-N238 PolarHBondContact O-N 3.23Å; N236-N238 PolarHBondContact OD1-N 3.36Å; N236-I239 HydrophobicContact CB-CB 4.22Å; N236-I239 HydrophobicContact CB-CD1 4.06Å; N236-I239 HydrophobicContact CB-CG1 4.31Å; N236-I239 PolarHBondContact O-N 3.49Å; N236-I239 VanDerWaalsContact O-N 3.07Å; N236-I239 VanDerWaalsContact O-O 3.07Å
237	K	97.3	Very high	93.7	Very high	169 Å²	169	61.3 Å²	61.3	74%	0.735	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-176.8	68.7	178.9	-177	177.6	0	115	K235 K472	K235-K237 PolarHBondContact O-N 2.74Å; K237-K472 VanDerWaalsContact O-CD 3.31Å; K237-K472 WeakPolarHBondContact O-CD 3.12Å; K237-K472 VanDerWaalsContact O-CE 3.26Å; K237-K472 WeakPolarHBondContact O-CE 3.39Å; K237-K472 PolarHBondContact O-NZ 3.04Å
238	N	97.6	Very high	93.9	Very high	100 Å²	100	61.3 Å²	61.3	54%	0.535	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.4	-178.6	-60.4	-21.8	0	0	0	113	N236 K472	N236-N238 PolarHBondContact O-N 3.23Å; N236-N238 PolarHBondContact OD1-N 3.36Å; N238-K472 PolarHBondContact O-N 3.22Å
239	I	98.1	Very high	94.4	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.2	-176.5	-63	171.4	0	0	0	108.2	L214 Q215 L233 N236 A469 H470	L214-I239 HydrophobicContact CB-CD1 3.89Å; Q215-I239 HydrophobicContact CG-CD1 4.27Å; L233-I239 HydrophobicContact CB-CG2 4.31Å; L233-I239 HydrophobicContact CD2-CD1 3.71Å; N236-I239 HydrophobicContact CB-CB 4.22Å; N236-I239 HydrophobicContact CB-CD1 4.06Å; N236-I239 HydrophobicContact CB-CG1 4.31Å; N236-I239 PolarHBondContact O-N 3.49Å; N236-I239 VanDerWaalsContact O-N 3.07Å; N236-I239 VanDerWaalsContact O-O 3.07Å; I239-A469 HydrophobicContact CG2-CB 3.94Å; I239-H470 CarbonylContact C-O 3.55Å; I239-H470 WeakPolarHBondContact CA-O 3.31Å
240	E	97.6	Very high	94.6	Very high	90 Å²	90	55.8 Å²	55.8	42%	0.421	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.1	167.3	-175.7	167.9	174.2	0	0	108.4	M242 A469 H470 K472	E240-M242 HydrophobicContact CG-CG 4.29Å; E240-A469 CarbonylContact O-C 3.51Å; E240-A469 WeakPolarHBondContact O-CA 3.29Å; E240-A469 WeakPolarHBondContact O-CB 3.37Å; E240-H470 PolarHBondContact N-O 3.02Å; E240-H470 PolarHBondContact O-N 3.45Å; E240-H470 IonicContact OE2-CE1 3.35Å; E240-H470 PolarHBondContact OE2-CE1 2.9Å; E240-H470 IonicContact OE2-NE2 2.78Å; E240-K472 HydrophobicContact CB-CG 4.25Å
241	L	96.7	Very high	94.8	Very high	29 Å²	29	55.8 Å²	55.8	15%	0.152	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.8	171.5	-177.5	141.9	0	0	0	108.8	I225 A230 L233 E234 V467 A469	I225-L241 HydrophobicContact CG2-CD1 4.38Å; A230-L241 VanDerWaalsContact CA-CD1 3.46Å; A230-L241 HydrophobicContact CB-CD1 3.66Å; A230-L241 WeakPolarHBondContact O-CD1 3.35Å; L233-L241 HydrophobicContact CB-CD1 4.1Å; E234-L241 HydrophobicContact CB-CB 4.36Å; L241-V467 HydrophobicContact CD1-CG1 4.07Å; L241-V467 HydrophobicContact CD2-CG1 4.13Å; L241-V467 HydrophobicContact CG-CG1 4.18Å; L241-A469 HydrophobicContact CB-CB 4.37Å
242	M	93.5	Very high	95.1	Very high	39 Å²	39	53.2 Å²	53.2	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.3	177.9	-65.6	-168.9	-65.2	0	0	110.4	E240 V467 S468	E240-M242 HydrophobicContact CG-CG 4.29Å; M242-V467 WeakPolarHBondContact O-CA 3.35Å; M242-S468 PolarHBondContact N-O 3.28Å; M242-S468 PolarHBondContact O-N 3.28Å
243	A	91.7	Very high	95.3	Very high	48 Å²	48	49.1 Å²	49.1	40%	0.397	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	93.1	168.9	0	0	0	0	0	109.2	Y287 L466	A243-Y287 HydrophobicContact CB-CD1 3.83Å; A243-Y287 HydrophobicContact CB-CE1 3.81Å; A243-L466 CarbonylContact C-O 3.47Å; A243-L466 WeakPolarHBondContact CA-O 3.17Å
244	S	89.6	Confident	95.4	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	155.3	-176.5	54	0	0	0	0	112.3	K465 L466 I479	S244-K465 CarbonylContact O-C 3.59Å; S244-K465 VanDerWaalsContact O-CA 3.26Å; S244-K465 WeakPolarHBondContact O-CA 3.46Å; S244-K465 WeakPolarHBondContact O-CB 3.16Å; S244-L466 PolarHBondContact N-O 3.48Å; S244-L466 PolarHBondContact O-N 3.24Å; S244-I479 VanDerWaalsContact OG-CG2 3.31Å; S244-I479 WeakPolarHBondContact OG-CG2 3.49Å
245	P	86.7	Confident	95.6	Very high	84 Å²	84	42.9 Å²	42.9	55%	0.545	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	143	170	-22	33.4	0	0	0	111.6
246	S	92.4	Very high	95.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	169.1	170	83.4	0	0	0	0	111.2	M248 E464 L466 P481	S246-M248 WeakPolarHBondContact OG-CB 3.38Å; S246-M248 PolarHBondContact OG-N 3.04Å; S246-E464 VanDerWaalsContact CB-O 3.25Å; S246-E464 WeakPolarHBondContact CB-O 3.17Å; S246-E464 PolarHBondContact N-O 3.07Å; S246-E464 PolarHBondContact OG-O 3.27Å; S246-L466 VanDerWaalsContact CB-CD2 3.43Å; S246-P481 WeakPolarHBondContact CA-O 3.48Å
247	I	92.6	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	19.8	162.4	61.2	167.8	0	0	0	112.1	M50 Q249 P296 I299 S391 A392 P481 D482	M50-I247 HydrophobicContact CE-CD1 4.08Å; I247-Q249 PolarHBondContact O-N 2.89Å; I247-P296 WeakPolarHBondContact O-CG 3.47Å; I247-I299 HydrophobicContact CB-CD1 3.88Å; I247-I299 HydrophobicContact CB-CG1 4.29Å; I247-I299 HydrophobicContact CD1-CD1 4.07Å; I247-I299 HydrophobicContact CG2-CD1 3.52Å; I247-I299 HydrophobicContact CG2-CG1 4Å; I247-S391 WeakPolarHBondContact O-CA 3.31Å; I247-A392 VanDerWaalsContact CD1-O 3.25Å; I247-A392 WeakPolarHBondContact CD1-O 3.31Å; I247-P481 WeakPolarHBondContact CG1-O 3.37Å; I247-P481 HydrophobicContact CG2-CB 3.92Å; I247-P481 PolarHBondContact N-O 2.89Å; I247-D482 HydrophobicContact CD1-CB 3.7Å; I247-D482 HydrophobicContact CG1-CB 4.27Å
248	M	92.9	Very high	95.8	Very high	34 Å²	34	30.7 Å²	30.7	17%	0.167	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	98.5	178.3	179.8	57.7	69.8	0	0	109.9	S246 S391 E464	S246-M248 WeakPolarHBondContact OG-CB 3.38Å; S246-M248 PolarHBondContact OG-N 3.04Å; M248-S391 WeakPolarHBondContact CE-OG 3.02Å; M248-E464 HydrophobicContact CB-CB 4.24Å; M248-E464 HydrophobicContact CB-CG 4.47Å; M248-E464 HydrophobicContact CG-CB 4.41Å; M248-E464 HydrophobicContact CG-CG 4.11Å; M248-E464 PolarHBondContact O-N 3.5Å
249	Q	96.4	Very high	95.8	Very high	5 Å²	5	33 Å²	33	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.2	170.2	-177.7	61	46	0	0	109.4	I247 Y251 P296 G389 W390 W458	I247-Q249 PolarHBondContact O-N 2.89Å; Q249-Y251 HydrophobicContact CG-CD1 3.97Å; Q249-P296 HydrophobicContact CB-CG 3.86Å; Q249-G389 CarbonylContact O-C 3.49Å; Q249-G389 WeakPolarHBondContact O-CA 3.45Å; Q249-W390 PolarHBondContact N-O 3Å; Q249-W390 PolarHBondContact O-N 2.97Å; Q249-W458 HydrophobicContact CG-CZ3 4.39Å
250	R	96.7	Very high	95.8	Very high	39 Å²	39	33 Å²	33	15%	0.147	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	168.3	-67.9	-59.3	-168.4	-167.4	-10.1	110.7	F284 Y387 L461 V462 E464	R250-F284 HydrophobicContact CG-CZ 4.46Å; R250-Y387 HydrophobicContact CB-CE2 4.33Å; R250-L461 HydrophobicContact CB-CB 4.42Å; R250-L461 WeakPolarHBondContact O-CB 3.36Å; R250-L461 PolarHBondContact O-N 2.93Å; R250-V462 HydrophobicContact CB-CG2 3.73Å; R250-V462 HydrophobicContact CG-CG2 4.04Å; R250-V462 PolarHBondContact N-O 3.48Å; R250-V462 PolarHBondContact O-N 2.99Å; R250-E464 HydrophobicContact CG-CG 4.09Å; R250-E464 IonicContact CZ-OE1 2.76Å; R250-E464 IonicContact NE-OE1 3.68Å; R250-E464 PolarHBondContact NE-OE1 3.48Å; R250-E464 IonicContact NH2-OE1 3.49Å; R250-E464 PolarHBondContact NH2-OE1 3.09Å; R250-E464 IonicContact NH2-OE2 2.66Å
251	Y	98.5	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	164.5	-176.7	62.4	-87.2	0	0	0	111.4	Q249 Y387 T388 W390 W458 I459	Q249-Y251 HydrophobicContact CG-CD1 3.97Å; Y251-Y387 WeakPolarHBondContact O-CA 3.22Å; Y251-Y387 WeakPolarHBondContact O-CD2 3.35Å; Y251-T388 HydrophobicContact CD2-CG2 4.23Å; Y251-T388 HydrophobicContact CE1-CG2 3.95Å; Y251-T388 HydrophobicContact CE2-CG2 3.46Å; Y251-T388 VanDerWaalsContact CE2-CG2 3.46Å; Y251-T388 PolarHBondContact N-O 3.24Å; Y251-T388 VanDerWaalsContact N-O 3.12Å; Y251-T388 PolarHBondContact O-N 3.02Å; Y251-T388 WeakPolarHBondContact OH-CG2 3.09Å; Y251-W390 HydrophobicContact CE1-CB 4.22Å; Y251-W458 HydrophobicContact CD1-CE3 4.09Å; Y251-W458 AromaticContact CD1-CH2 3.85Å; Y251-W458 HydrophobicContact CD1-CH2 3.85Å; Y251-W458 HydrophobicContact CD1-CZ2 4.32Å; Y251-W458 AromaticContact CD1-CZ3 3.72Å; Y251-W458 HydrophobicContact CD1-CZ3 3.72Å; Y251-W458 AromaticContact CD2-CD2 3.46Å; Y251-W458 HydrophobicContact CD2-CD2 3.46Å; Y251-W458 VanDerWaalsContact CD2-CD2 3.46Å; Y251-W458 AromaticContact CD2-CE2 3.44Å; Y251-W458 VanDerWaalsContact CD2-CE2 3.44Å; Y251-W458 AromaticContact CD2-CE3 3.78Å; Y251-W458 HydrophobicContact CD2-CE3 3.78Å; Y251-W458 AromaticContact CD2-CG 3.93Å; Y251-W458 HydrophobicContact CD2-CG 3.93Å; Y251-W458 HydrophobicContact CD2-CH2 4.06Å; Y251-W458 AromaticContact CD2-CZ2 3.74Å; Y251-W458 HydrophobicContact CD2-CZ2 3.74Å; Y251-W458 HydrophobicContact CD2-CZ3 4.08Å; Y251-W458 AromaticContact CD2-NE1 3.9Å; Y251-W458 AromaticContact CE1-CH2 3.57Å; Y251-W458 HydrophobicContact CE1-CH2 3.57Å; Y251-W458 AromaticContact CE1-CZ2 3.91Å; Y251-W458 HydrophobicContact CE1-CZ2 3.91Å; Y251-W458 AromaticContact CE1-CZ3 3.95Å; Y251-W458 HydrophobicContact CE1-CZ3 3.95Å; Y251-W458 AromaticContact CE2-CD2 3.91Å; Y251-W458 HydrophobicContact CE2-CD2 3.91Å; Y251-W458 AromaticContact CE2-CE2 3.36Å; Y251-W458 HydrophobicContact CE2-CE3 4.35Å; Y251-W458 AromaticContact CE2-CH2 3.83Å; Y251-W458 HydrophobicContact CE2-CH2 3.83Å; Y251-W458 AromaticContact CE2-CZ2 3.29Å; Y251-W458 HydrophobicContact CE2-CZ2 3.29Å; Y251-W458 HydrophobicContact CE2-CZ3 4.32Å; Y251-W458 AromaticContact CE2-NE1 3.77Å; Y251-W458 AromaticContact CG-CD2 3.83Å; Y251-W458 HydrophobicContact CG-CD2 3.83Å; Y251-W458 AromaticContact CG-CE3 3.62Å; Y251-W458 HydrophobicContact CG-CE3 3.62Å; Y251-W458 HydrophobicContact CG-CH2 4.06Å; Y251-W458 HydrophobicContact CG-CZ2 4.23Å; Y251-W458 AromaticContact CG-CZ3 3.76Å; Y251-W458 HydrophobicContact CG-CZ3 3.76Å; Y251-W458 AromaticContact CZ-CE2 3.95Å; Y251-W458 AromaticContact CZ-CH2 3.55Å; Y251-W458 AromaticContact CZ-CZ2 3.36Å; Y251-I459 WeakPolarHBondContact CA-O 3.28Å
252	I	98.8	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.4	163.1	-66.2	162.5	0	0	0	107.4	L332 T348 M385 F386 Y387 W458 I459 L461	I252-L332 HydrophobicContact CD1-CD1 4.29Å; I252-L332 HydrophobicContact CG1-CD1 4.34Å; I252-L332 HydrophobicContact CG2-CD1 4.07Å; I252-T348 HydrophobicContact CD1-CG2 3.58Å; I252-M385 HydrophobicContact CG2-CB 3.89Å; I252-M385 HydrophobicContact CG2-CE 3.74Å; I252-F386 CarbonylContact C-O 3.53Å; I252-F386 VanDerWaalsContact CA-O 3.28Å; I252-F386 WeakPolarHBondContact CA-O 3.39Å; I252-Y387 HydrophobicContact CG1-CD2 4.2Å; I252-W458 CarbonylContact O-C 3.57Å; I252-W458 VanDerWaalsContact O-CA 3.29Å; I252-W458 WeakPolarHBondContact O-CA 3.26Å; I252-I459 HydrophobicContact CB-CB 4.25Å; I252-I459 PolarHBondContact N-O 2.94Å; I252-I459 PolarHBondContact O-N 3.34Å; I252-L461 HydrophobicContact CD1-CD1 4.1Å; I252-L461 HydrophobicContact CD1-CD2 4.31Å; I252-L461 HydrophobicContact CG1-CD1 4Å
253	S	98.9	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	146.5	167.9	54.8	0	0	0	0	110.2	M385 F386 T417	S253-M385 CarbonylContact O-C 3.22Å; S253-M385 VanDerWaalsContact O-CA 3.26Å; S253-M385 WeakPolarHBondContact O-CA 3.33Å; S253-F386 PolarHBondContact N-O 2.87Å; S253-F386 PolarHBondContact O-N 3.32Å; S253-F386 PolarHBondContact OG-O 2.68Å; S253-T417 WeakPolarHBondContact CB-OG1 3.37Å; S253-T417 PolarHBondContact OG-OG1 3.45Å
254	M	98.9	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	172.4	-66.2	173.5	-73.5	0	0	107.8	V256 F261 R267 L270 M385 A418 S456 P457 I459	M254-V256 VanDerWaalsContact O-CG1 3.31Å; M254-V256 WeakPolarHBondContact O-CG1 3.49Å; M254-V256 PolarHBondContact O-N 3.48Å; M254-F261 HydrophobicContact CB-CB 4.16Å; M254-F261 HydrophobicContact CB-CD1 4.02Å; M254-F261 HydrophobicContact CB-CD2 4.47Å; M254-F261 HydrophobicContact CB-CG 3.97Å; M254-F261 HydrophobicContact CG-CD1 4.07Å; M254-F261 HydrophobicContact CG-CE1 4.28Å; M254-F261 HydrophobicContact CG-CG 4.49Å; M254-F261 HydrophobicContact SD-CD1 3.97Å; M254-F261 HydrophobicContact SD-CE1 4.29Å; M254-R267 HydrophobicContact CE-CB 3.64Å; M254-R267 HydrophobicContact CE-CG 3.8Å; M254-R267 HydrophobicContact SD-CB 4.23Å; M254-R267 HydrophobicContact SD-CG 4.03Å; M254-L270 HydrophobicContact SD-CB 4.46Å; M254-L270 HydrophobicContact SD-CD1 3.92Å; M254-M385 HydrophobicContact CG-CG 4.41Å; M254-A418 WeakPolarHBondContact O-CA 3.3Å; M254-A418 WeakPolarHBondContact O-CB 2.97Å; M254-S456 WeakPolarHBondContact CE-O 3.26Å; M254-P457 PolarHBondContact N-O 3.02Å; M254-P457 VanDerWaalsContact N-O 3.07Å; M254-I459 HydrophobicContact CE-CG1 3.9Å; M254-I459 HydrophobicContact SD-CD1 4.36Å; M254-I459 HydrophobicContact SD-CG1 4.17Å
255	N	98.8	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.			trans	-68.4	95.2	177.5	-174.6	-20.7	0	0	0	110	T257 Q258 F261 V383 R384 A418 F419	N255-T257 PolarHBondContact O-N 3.23Å; N255-T257 PolarHBondContact OD1-N 2.57Å; N255-T257 PolarHBondContact OD1-OG1 3.19Å; N255-Q258 HydrophobicContact CB-CB 4.31Å; N255-Q258 HydrophobicContact CB-CG 4.27Å; N255-Q258 VanDerWaalsContact CG-CG 3.49Å; N255-Q258 WeakPolarHBondContact ND2-CG 3.37Å; N255-Q258 PolarHBondContact O-N 3.11Å; N255-Q258 VanDerWaalsContact O-N 3.09Å; N255-F261 WeakPolarHBondContact O-CB 3.38Å; N255-V383 WeakPolarHBondContact CB-O 3.4Å; N255-V383 PolarHBondContact ND2-O 3.47Å; N255-R384 PolarHBondContact N-O 2.97Å; N255-A418 CarbonylContact C-O 3.45Å; N255-A418 WeakPolarHBondContact CA-O 3.42Å; N255-F419 HydrophobicContact CB-CD2 4.3Å; N255-F419 VanDerWaalsContact CG-CD2 3.47Å; N255-F419 WeakPolarHBondContact ND2-CD2 3.41Å
256	V	98.8	Very high	97.6	Very high	24 Å²	24	30.9 Å²	30.9	15%	0.145	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.4	-170.9	-51.9	0	0	0	0	113.4	M254 D262 A418 F419 P457	M254-V256 VanDerWaalsContact O-CG1 3.31Å; M254-V256 WeakPolarHBondContact O-CG1 3.49Å; M254-V256 PolarHBondContact O-N 3.48Å; V256-D262 WeakPolarHBondContact O-CA 3.29Å; V256-A418 PolarHBondContact N-O 2.88Å; V256-F419 WeakPolarHBondContact CG2-O 3.33Å; V256-P457 HydrophobicContact CG1-CB 3.88Å
257	T	98.5	Very high	97.9	Very high	46 Å²	46	31.8 Å²	31.8	28%	0.282	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	0.9	179	73.8	0	0	0	0	112.3	N255 Q378 W410 F419	N255-T257 PolarHBondContact O-N 3.23Å; N255-T257 PolarHBondContact OD1-N 2.57Å; N255-T257 PolarHBondContact OD1-OG1 3.19Å; T257-Q378 VanDerWaalsContact CG2-NE2 3.26Å; T257-Q378 PolarHBondContact OG1-NE2 3.42Å; T257-Q378 VanDerWaalsContact OG1-NE2 3.15Å; T257-W410 HydrophobicContact CG2-CH2 4.39Å; T257-F419 HydrophobicContact CG2-CB 3.86Å; T257-F419 WeakPolarHBondContact CG2-O 3.21Å
258	Q	98.5	Very high	98.2	Very high	66 Å²	66	35 Å²	35	31%	0.308	17%	0.174	S	C	.	.	S	Bend	trans	-124.9	130.7	-172.8	-67.9	-68.3	-20.9	0	0	112	N255 F261 D262 R384	N255-Q258 HydrophobicContact CB-CB 4.31Å; N255-Q258 HydrophobicContact CB-CG 4.27Å; N255-Q258 VanDerWaalsContact CG-CG 3.49Å; N255-Q258 WeakPolarHBondContact ND2-CG 3.37Å; N255-Q258 PolarHBondContact O-N 3.11Å; N255-Q258 VanDerWaalsContact O-N 3.09Å; Q258-F261 WeakPolarHBondContact O-CA 3.27Å; Q258-F261 WeakPolarHBondContact O-CB 3.38Å; Q258-F261 PolarHBondContact O-N 3.43Å; Q258-D262 PolarHBondContact O-N 3.35Å; Q258-R384 PolarHBondContact O-NH2 3.22Å
259	K	97.6	Very high	98.5	Very high	150 Å²	150	33.4 Å²	33.4	65%	0.652	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.8	177.9	-72.8	-177.5	179.7	-179.2	0	112.7	D262 R384	K259-D262 VanDerWaalsContact CA-OD1 3.27Å; K259-D262 WeakPolarHBondContact CA-OD1 3.19Å; K259-R384 VanDerWaalsContact O-CZ 3.24Å; K259-R384 PolarHBondContact O-NH1 3.33Å; K259-R384 PolarHBondContact O-NH2 2.7Å
260	P	98.6	Very high	98.6	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.1	8.2	12.7	38.6	-36.2	0	0	0	114.9	D262 N263 V266 Y324 F328	P260-D262 VanDerWaalsContact C-N 3.26Å; P260-D262 VanDerWaalsContact C-OD1 3.29Å; P260-D262 PolarHBondContact O-N 3.09Å; P260-N263 PolarHBondContact O-N 3.28Å; P260-V266 HydrophobicContact CB-CG1 4.37Å; P260-V266 HydrophobicContact CB-CG2 4.31Å; P260-V266 HydrophobicContact CG-CG1 4.26Å; P260-V266 WeakPolarHBondContact O-CB 3.27Å; P260-Y324 HydrophobicContact CB-CD2 4.47Å; P260-Y324 HydrophobicContact CB-CE1 4.1Å; P260-Y324 HydrophobicContact CB-CE2 3.65Å; P260-Y324 VanDerWaalsContact CB-CZ 3.44Å; P260-Y324 WeakPolarHBondContact CB-OH 3.44Å; P260-F328 HydrophobicContact CB-CD1 4.37Å; P260-F328 HydrophobicContact CB-CE1 4.15Å; P260-F328 HydrophobicContact CB-CZ 4.36Å; P260-F328 HydrophobicContact CG-CD1 3.75Å; P260-F328 HydrophobicContact CG-CD2 3.67Å; P260-F328 HydrophobicContact CG-CE1 3.44Å; P260-F328 VanDerWaalsContact CG-CE1 3.44Å; P260-F328 HydrophobicContact CG-CE2 3.38Å; P260-F328 HydrophobicContact CG-CG 3.87Å; P260-F328 HydrophobicContact CG-CZ 3.26Å
261	F	98.8	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.9	-174.9	-53.4	-57.4	0	0	0	113.6	M254 N255 Q258 N263 V266 R267 L270 F328 T330 R384 M385	M254-F261 HydrophobicContact CB-CB 4.16Å; M254-F261 HydrophobicContact CB-CD1 4.02Å; M254-F261 HydrophobicContact CB-CD2 4.47Å; M254-F261 HydrophobicContact CB-CG 3.97Å; M254-F261 HydrophobicContact CG-CD1 4.07Å; M254-F261 HydrophobicContact CG-CE1 4.28Å; M254-F261 HydrophobicContact CG-CG 4.49Å; M254-F261 HydrophobicContact SD-CD1 3.97Å; M254-F261 HydrophobicContact SD-CE1 4.29Å; N255-F261 WeakPolarHBondContact O-CB 3.38Å; Q258-F261 WeakPolarHBondContact O-CA 3.27Å; Q258-F261 WeakPolarHBondContact O-CB 3.38Å; Q258-F261 PolarHBondContact O-N 3.43Å; F261-N263 PolarHBondContact O-N 3.35Å; F261-V266 HydrophobicContact CD1-CG1 4.34Å; F261-R267 WeakPolarHBondContact O-CD 3.44Å; F261-R267 PolarHBondContact O-NH1 2.64Å; F261-L270 HydrophobicContact CD1-CD1 4.46Å; F261-L270 HydrophobicContact CE1-CD1 3.8Å; F261-F328 HydrophobicContact CE1-CE2 4.32Å; F261-F328 HydrophobicContact CE1-CZ 4.3Å; F261-F328 HydrophobicContact CZ-CE2 4.35Å; F261-T330 HydrophobicContact CZ-CG2 4.29Å; F261-T330 WeakPolarHBondContact CZ-OG1 3.45Å; F261-R384 HydrophobicContact CE2-CB 4.06Å; F261-R384 VanDerWaalsContact CE2-NH2 3.32Å; F261-M385 HydrophobicContact CE1-CG 4.02Å; F261-M385 HydrophobicContact CE1-SD 4.16Å; F261-M385 HydrophobicContact CE2-CG 3.92Å; F261-M385 HydrophobicContact CZ-CG 3.39Å; F261-M385 HydrophobicContact CZ-SD 3.8Å
262	D	98.7	Very high	98.7	Very high	74 Å²	74	33.4 Å²	33.4	40%	0.396	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.2	165.4	61.3	-33.7	0	0	0	112	V256 Q258 K259 P260 P264 R267	V256-D262 WeakPolarHBondContact O-CA 3.29Å; Q258-D262 PolarHBondContact O-N 3.35Å; K259-D262 VanDerWaalsContact CA-OD1 3.27Å; K259-D262 WeakPolarHBondContact CA-OD1 3.19Å; P260-D262 VanDerWaalsContact C-N 3.26Å; P260-D262 VanDerWaalsContact C-OD1 3.29Å; P260-D262 PolarHBondContact O-N 3.09Å; D262-P264 WeakPolarHBondContact O-CD 3.35Å; D262-R267 PolarHBondContact O-NH1 3.11Å
263	N	98.7	Very high	98.7	Very high	46 Å²	46	33.4 Å²	33.4	25%	0.246	17%	0.166	C	C	.	.	S	Bend	trans	-80.6	116.8	175.4	-170.9	-29.1	0	0	0	111.8	P260 F261 K265 V266 R267	P260-N263 PolarHBondContact O-N 3.28Å; F261-N263 PolarHBondContact O-N 3.35Å; N263-K265 VanDerWaalsContact C-N 3.27Å; N263-K265 PolarHBondContact O-N 2.83Å; N263-K265 WeakPolarHBondContact OD1-CB 3.47Å; N263-K265 PolarHBondContact OD1-N 2.81Å; N263-V266 HydrophobicContact CB-CB 4.41Å; N263-V266 HydrophobicContact CB-CG2 3.91Å; N263-V266 WeakPolarHBondContact O-CB 3.4Å; N263-V266 PolarHBondContact O-N 2.98Å; N263-V266 VanDerWaalsContact O-N 3.09Å; N263-R267 PolarHBondContact O-N 3.42Å
264	P	98.6	Very high	98.7	Very high	75 Å²	75	33.4 Å²	33.4	49%	0.487	17%	0.166	S	C	.	.	H	α-helix	trans	-60.4	-32.1	179.4	23.4	-32.9	0	0	0	113.7	D262 V266 R267 E268	D262-P264 WeakPolarHBondContact O-CD 3.35Å; P264-V266 VanDerWaalsContact C-N 3.26Å; P264-V266 PolarHBondContact O-N 2.97Å; P264-R267 PolarHBondContact O-N 3.36Å; P264-R267 VanDerWaalsContact O-N 3.17Å; P264-E268 PolarHBondContact O-N 2.68Å
265	K	98.6	Very high	98.7	Very high	80 Å²	80	35.3 Å²	35.3	35%	0.348	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-32.2	177	-68.2	-169.7	175.6	-169.7	0	112.3	N263 A269 E321 A322	N263-K265 VanDerWaalsContact C-N 3.27Å; N263-K265 PolarHBondContact O-N 2.83Å; N263-K265 WeakPolarHBondContact OD1-CB 3.47Å; N263-K265 PolarHBondContact OD1-N 2.81Å; K265-A269 VanDerWaalsContact O-CB 3.3Å; K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3.08Å; K265-E321 HydrophobicContact CD-CB 4.27Å; K265-E321 IonicContact NZ-OE2 2.62Å; K265-E321 PolarHBondContact NZ-OE2 2.72Å; K265-A322 HydrophobicContact CB-CB 4.19Å
266	V	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-45.2	175	175.6	0	0	0	0	109.7	P260 F261 N263 P264 E268 A269 L270 L319 A322 Y324 F328	P260-V266 HydrophobicContact CB-CG1 4.37Å; P260-V266 HydrophobicContact CB-CG2 4.31Å; P260-V266 HydrophobicContact CG-CG1 4.26Å; P260-V266 WeakPolarHBondContact O-CB 3.27Å; F261-V266 HydrophobicContact CD1-CG1 4.34Å; N263-V266 HydrophobicContact CB-CB 4.41Å; N263-V266 HydrophobicContact CB-CG2 3.91Å; N263-V266 WeakPolarHBondContact O-CB 3.4Å; N263-V266 PolarHBondContact O-N 2.98Å; N263-V266 VanDerWaalsContact O-N 3.09Å; P264-V266 VanDerWaalsContact C-N 3.26Å; P264-V266 PolarHBondContact O-N 2.97Å; V266-E268 VanDerWaalsContact C-N 3.35Å; V266-E268 PolarHBondContact O-N 2.81Å; V266-A269 WeakPolarHBondContact O-CB 3.29Å; V266-A269 PolarHBondContact O-N 2.96Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.74Å; V266-L319 HydrophobicContact CG1-CD2 4.26Å; V266-L319 HydrophobicContact CG2-CD2 4.45Å; V266-A322 HydrophobicContact CG2-CB 3.66Å; V266-Y324 HydrophobicContact CG2-CD2 4.09Å; V266-Y324 HydrophobicContact CG2-CE2 4.11Å; V266-F328 HydrophobicContact CG1-CE1 3.81Å; V266-F328 HydrophobicContact CG1-CZ 3.76Å
267	R	98.8	Very high	98.7	Very high	21 Å²	21	38.1 Å²	38.1	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-40.2	178.9	-59.2	-166.1	-57.8	-89.8	4.2	112.5	M254 F261 D262 N263 P264 N271 E455 S456	M254-R267 HydrophobicContact CE-CB 3.64Å; M254-R267 HydrophobicContact CE-CG 3.8Å; M254-R267 HydrophobicContact SD-CB 4.23Å; M254-R267 HydrophobicContact SD-CG 4.03Å; F261-R267 WeakPolarHBondContact O-CD 3.44Å; F261-R267 PolarHBondContact O-NH1 2.64Å; D262-R267 PolarHBondContact O-NH1 3.11Å; N263-R267 PolarHBondContact O-N 3.42Å; P264-R267 PolarHBondContact O-N 3.36Å; P264-R267 VanDerWaalsContact O-N 3.17Å; R267-N271 PolarHBondContact O-N 2.94Å; R267-N271 PolarHBondContact O-ND2 2.96Å; R267-E455 PolarHBondContact NE-O 2.88Å; R267-E455 PolarHBondContact NH2-O 2.87Å; R267-S456 WeakPolarHBondContact CB-O 3.41Å; R267-S456 WeakPolarHBondContact CD-O 3.31Å; R267-S456 PolarHBondContact NE-O 2.79Å
268	E	98.8	Very high	98.7	Very high	68 Å²	68	37.2 Å²	37.2	32%	0.318	19%	0.191	S	C	.	.	H	α-helix	trans	-61.4	-48.7	171.6	-175.9	177.3	-154.7	0	0	111.1	P264 V266 L270 N271 Y272 W308 L318	P264-E268 PolarHBondContact O-N 2.68Å; V266-E268 VanDerWaalsContact C-N 3.35Å; V266-E268 PolarHBondContact O-N 2.81Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 2.8Å; E268-N271 WeakPolarHBondContact O-CB 3.35Å; E268-N271 PolarHBondContact O-N 3.31Å; E268-Y272 HydrophobicContact CG-CD2 4.13Å; E268-Y272 HydrophobicContact CG-CE2 3.84Å; E268-Y272 WeakPolarHBondContact O-CD2 3.33Å; E268-Y272 PolarHBondContact O-N 2.89Å; E268-W308 HydrophobicContact CG-CH2 3.94Å; E268-W308 HydrophobicContact CG-CZ3 3.94Å; E268-L318 HydrophobicContact CB-CD1 4.33Å; E268-L318 HydrophobicContact CG-CD1 3.8Å
269	A	98.8	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-43.4	178.6	0	0	0	0	0	112.8	K265 V266 N271 Y272 A273 A315 L318 L319	K265-A269 VanDerWaalsContact O-CB 3.3Å; K265-A269 WeakPolarHBondContact O-CB 3.41Å; K265-A269 PolarHBondContact O-N 3.08Å; V266-A269 WeakPolarHBondContact O-CB 3.29Å; V266-A269 PolarHBondContact O-N 2.96Å; A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 3.36Å; A269-Y272 PolarHBondContact O-N 2.76Å; A269-A273 PolarHBondContact O-N 3.16Å; A269-A273 VanDerWaalsContact O-N 3.15Å; A269-A315 WeakPolarHBondContact CB-O 3.48Å; A269-A315 VanDerWaalsContact O-CB 3.26Å; A269-A315 WeakPolarHBondContact O-CB 3.43Å; A269-L318 HydrophobicContact CB-CB 3.69Å; A269-L318 HydrophobicContact CB-CD1 4.31Å; A269-L319 HydrophobicContact CB-CD2 4.12Å; A269-L319 HydrophobicContact CB-CG 3.86Å
270	L	98.8	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.5	-26.3	179.4	-59.3	-164.9	0	0	0	112.6	M254 F261 V266 E268 A273 L352 I357 M385 I459	M254-L270 HydrophobicContact SD-CB 4.46Å; M254-L270 HydrophobicContact SD-CD1 3.92Å; F261-L270 HydrophobicContact CD1-CD1 4.46Å; F261-L270 HydrophobicContact CE1-CD1 3.8Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 2.74Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 2.8Å; L270-A273 PolarHBondContact O-N 2.84Å; L270-L352 HydrophobicContact CD1-CD2 4.47Å; L270-L352 HydrophobicContact CD2-CD2 3.89Å; L270-I357 HydrophobicContact CD2-CG1 3.93Å; L270-M385 HydrophobicContact CD1-CE 4.27Å; L270-M385 HydrophobicContact CD1-SD 4.37Å; L270-I459 HydrophobicContact CB-CD1 3.74Å; L270-I459 HydrophobicContact CB-CG1 4.41Å
271	N	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-36.1	173.4	-90.1	-78	0	0	0	112.8	R267 E268 A269 A273 R276 W308 W458	R267-N271 PolarHBondContact O-N 2.94Å; R267-N271 PolarHBondContact O-ND2 2.96Å; E268-N271 WeakPolarHBondContact O-CB 3.35Å; E268-N271 PolarHBondContact O-N 3.31Å; A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 3.36Å; N271-A273 VanDerWaalsContact C-N 3.32Å; N271-R276 PolarHBondContact O-NH1 3.01Å; N271-R276 PolarHBondContact OD1-NH2 3.03Å; N271-W308 HydrophobicContact CB-CD2 3.64Å; N271-W308 HydrophobicContact CB-CE3 3.75Å; N271-W308 HydrophobicContact CB-CG 4.15Å; N271-W308 HydrophobicContact CB-CH2 4.22Å; N271-W308 HydrophobicContact CB-CZ2 4.12Å; N271-W308 HydrophobicContact CB-CZ3 4.04Å; N271-W458 PolarHBondContact ND2-O 3.07Å
272	Y	98.9	Very high	98.3	Very high	43 Å²	43	38.7 Å²	38.7	17%	0.169	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-27.3	172.3	-81.3	-82.9	0	0	0	113.2	E268 A269 I274 W308 P309 Y310 D311 K314 L318	E268-Y272 HydrophobicContact CG-CD2 4.13Å; E268-Y272 HydrophobicContact CG-CE2 3.84Å; E268-Y272 WeakPolarHBondContact O-CD2 3.33Å; E268-Y272 PolarHBondContact O-N 2.89Å; A269-Y272 PolarHBondContact O-N 2.76Å; Y272-I274 VanDerWaalsContact C-N 3.29Å; Y272-I274 PolarHBondContact O-N 3.29Å; Y272-W308 HydrophobicContact CD2-CE3 4.22Å; Y272-W308 AromaticContact CD2-CZ3 3.95Å; Y272-W308 HydrophobicContact CD2-CZ3 3.95Å; Y272-W308 HydrophobicContact CE2-CE3 4.09Å; Y272-W308 AromaticContact CE2-CZ3 3.61Å; Y272-W308 HydrophobicContact CE2-CZ3 3.61Å; Y272-P309 HydrophobicContact CD1-CG 3.82Å; Y272-P309 HydrophobicContact CE1-CG 3.35Å; Y272-Y310 WeakPolarHBondContact O-CD2 3.48Å; Y272-D311 HydrophobicContact CD1-CB 3.83Å; Y272-D311 HydrophobicContact CE1-CB 4.45Å; Y272-D311 PolarHBondContact O-N 3.27Å; Y272-K314 HydrophobicContact CD1-CB 4.25Å; Y272-K314 HydrophobicContact CD1-CG 4.2Å; Y272-K314 HydrophobicContact CD2-CG 4.31Å; Y272-K314 HydrophobicContact CE1-CB 4.41Å; Y272-K314 HydrophobicContact CE1-CG 4Å; Y272-K314 HydrophobicContact CE2-CG 4.19Å; Y272-K314 HydrophobicContact CG-CG 4.34Å; Y272-L318 HydrophobicContact CD2-CD1 3.96Å; Y272-L318 HydrophobicContact CE2-CD1 4.08Å
273	A	98.8	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18	-175.9	0	0	0	0	0	114.1	A269 L270 N271 Y310 A315 Q351 V355	A269-A273 PolarHBondContact O-N 3.16Å; A269-A273 VanDerWaalsContact O-N 3.15Å; L270-A273 PolarHBondContact O-N 2.84Å; N271-A273 VanDerWaalsContact C-N 3.32Å; A273-Y310 WeakPolarHBondContact O-CE2 3.31Å; A273-A315 HydrophobicContact CB-CB 4.24Å; A273-Q351 PolarHBondContact O-NE2 3.19Å; A273-V355 HydrophobicContact CB-CG1 4.08Å; A273-V355 HydrophobicContact CB-CG2 3.83Å
274	I	98.9	Very high	97.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.174	C	C	.	.			trans	-101.3	116.1	-173.1	-53	-53.8	0	0	0	111.7	Y272 R276 F347 T348 Q351 L352 I459 L461	Y272-I274 VanDerWaalsContact C-N 3.29Å; Y272-I274 PolarHBondContact O-N 3.29Å; I274-R276 HydrophobicContact CG2-CG 4.25Å; I274-R276 PolarHBondContact O-N 2.96Å; I274-F347 HydrophobicContact CG2-CE1 4.49Å; I274-T348 HydrophobicContact CD1-CG2 4.26Å; I274-Q351 HydrophobicContact CD1-CB 3.77Å; I274-Q351 HydrophobicContact CD1-CG 4.49Å; I274-L352 HydrophobicContact CD1-CD2 4.38Å; I274-L352 HydrophobicContact CD1-CG 4.47Å; I274-I459 HydrophobicContact CG1-CG2 4.06Å; I274-L461 HydrophobicContact CG2-CD2 4.11Å
275	N	98.8	Very high	97.5	Very high	39 Å²	39	32.3 Å²	32.3	21%	0.209	17%	0.173	C	C	.	.			trans	-77.3	89.8	169.7	-171	-27.7	0	0	0	110.8	P277 A278 L279 Y310 F347	N275-P277 WeakPolarHBondContact OD1-CD 3.4Å; N275-A278 HydrophobicContact CB-CB 3.96Å; N275-A278 VanDerWaalsContact CG-CB 3.44Å; N275-A278 PolarHBondContact O-N 3.35Å; N275-A278 WeakPolarHBondContact OD1-CB 3.42Å; N275-A278 PolarHBondContact OD1-N 3.01Å; N275-L279 PolarHBondContact O-N 2.9Å; N275-Y310 HydrophobicContact CB-CD1 3.76Å; N275-Y310 HydrophobicContact CB-CD2 3.69Å; N275-Y310 HydrophobicContact CB-CE1 3.97Å; N275-Y310 HydrophobicContact CB-CE2 3.91Å; N275-Y310 HydrophobicContact CB-CG 3.6Å; N275-Y310 VanDerWaalsContact ND2-CD1 3.34Å; N275-Y310 WeakPolarHBondContact ND2-CD1 3.41Å; N275-F347 HydrophobicContact CB-CZ 4.38Å
276	R	98.7	Very high	97.2	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-43.4	-177.1	-65.2	167.5	174	79.3	-3.9	113.8	N271 I274 A278 L279 V280 P290 P460	N271-R276 PolarHBondContact O-NH1 3.01Å; N271-R276 PolarHBondContact OD1-NH2 3.03Å; I274-R276 HydrophobicContact CG2-CG 4.25Å; I274-R276 PolarHBondContact O-N 2.96Å; R276-A278 VanDerWaalsContact C-N 3.29Å; R276-A278 PolarHBondContact O-N 3.27Å; R276-L279 WeakPolarHBondContact O-CB 3.43Å; R276-L279 PolarHBondContact O-N 2.95Å; R276-V280 WeakPolarHBondContact O-CG2 3.18Å; R276-V280 PolarHBondContact O-N 3.26Å; R276-P290 HydrophobicContact CB-CB 3.87Å; R276-P290 HydrophobicContact CB-CG 4.31Å; R276-P460 VanDerWaalsContact CZ-O 3.27Å; R276-P460 PolarHBondContact NE-O 3.05Å; R276-P460 PolarHBondContact NH2-O 2.97Å
277	P	98.5	Very high	97	Very high	77 Å²	77	32.1 Å²	32.1	50%	0.5	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-37.9	173	-27.1	35.7	0	0	0	113.6	N275 K281 P290	N275-P277 WeakPolarHBondContact OD1-CD 3.4Å; P277-K281 PolarHBondContact O-N 2.92Å; P277-P290 HydrophobicContact CG-CG 4.2Å
278	A	98.5	Very high	96.8	Very high	27 Å²	27	31.4 Å²	31.4	22%	0.223	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-41.1	174.4	0	0	0	0	0	111.8	N275 R276 V280 K281 V282 F347	N275-A278 HydrophobicContact CB-CB 3.96Å; N275-A278 VanDerWaalsContact CG-CB 3.44Å; N275-A278 PolarHBondContact O-N 3.35Å; N275-A278 WeakPolarHBondContact OD1-CB 3.42Å; N275-A278 PolarHBondContact OD1-N 3.01Å; R276-A278 VanDerWaalsContact C-N 3.29Å; R276-A278 PolarHBondContact O-N 3.27Å; A278-V280 VanDerWaalsContact C-N 3.31Å; A278-V280 PolarHBondContact O-N 3.21Å; A278-K281 PolarHBondContact O-N 2.92Å; A278-K281 VanDerWaalsContact O-N 3.1Å; A278-V282 WeakPolarHBondContact O-CG2 3.36Å; A278-V282 PolarHBondContact O-N 3.31Å; A278-F347 HydrophobicContact CB-CE2 4.07Å; A278-F347 HydrophobicContact CB-CZ 3.82Å
279	L	98.3	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.8	-45.6	174	175.6	62.4	0	0	0	111.7	N275 R276 K281 V282 A283 F284 V344 F347 L461 V462	N275-L279 PolarHBondContact O-N 2.9Å; R276-L279 WeakPolarHBondContact O-CB 3.43Å; R276-L279 PolarHBondContact O-N 2.95Å; L279-K281 VanDerWaalsContact C-N 3.28Å; L279-K281 PolarHBondContact O-N 3.27Å; L279-V282 PolarHBondContact O-N 3.38Å; L279-A283 HydrophobicContact CD1-CB 3.83Å; L279-A283 WeakPolarHBondContact O-CB 3.25Å; L279-A283 PolarHBondContact O-N 3.1Å; L279-F284 HydrophobicContact CD1-CE2 4.49Å; L279-F284 HydrophobicContact CG-CE2 4.27Å; L279-V344 HydrophobicContact CD1-CB 4.45Å; L279-V344 HydrophobicContact CD1-CG1 4.3Å; L279-V344 HydrophobicContact CD1-CG2 4.2Å; L279-F347 HydrophobicContact CB-CD1 3.95Å; L279-F347 HydrophobicContact CB-CE1 3.64Å; L279-F347 HydrophobicContact CB-CZ 4.17Å; L279-F347 HydrophobicContact CD1-CB 4.21Å; L279-F347 HydrophobicContact CD1-CD1 3.63Å; L279-F347 HydrophobicContact CD1-CE1 4.24Å; L279-F347 HydrophobicContact CD1-CG 4Å; L279-F347 HydrophobicContact CG-CD1 4.31Å; L279-F347 HydrophobicContact CG-CE1 4.47Å; L279-L461 HydrophobicContact CD2-CB 4.02Å; L279-L461 HydrophobicContact CD2-CD1 4.31Å; L279-L461 HydrophobicContact CD2-CD2 3.98Å; L279-L461 HydrophobicContact CD2-CG 4.33Å; L279-V462 HydrophobicContact CD2-CG1 4.29Å
280	V	97.1	Very high	96.7	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-56.4	-43.1	176.5	167.3	0	0	0	0	111.3	R276 A278 F284 A285 G286 A288 P290 V462	R276-V280 WeakPolarHBondContact O-CG2 3.18Å; R276-V280 PolarHBondContact O-N 3.26Å; A278-V280 VanDerWaalsContact C-N 3.31Å; A278-V280 PolarHBondContact O-N 3.21Å; V280-F284 CarbonylContact O-C 3.58Å; V280-F284 VanDerWaalsContact O-C 3.22Å; V280-F284 VanDerWaalsContact O-CA 3.27Å; V280-F284 WeakPolarHBondContact O-CA 2.98Å; V280-F284 VanDerWaalsContact O-CB 3.3Å; V280-F284 WeakPolarHBondContact O-CB 3.43Å; V280-F284 PolarHBondContact O-N 3.33Å; V280-F284 VanDerWaalsContact O-N 3.11Å; V280-A285 PolarHBondContact O-N 2.95Å; V280-A285 VanDerWaalsContact O-N 3.09Å; V280-G286 PolarHBondContact O-N 2.98Å; V280-A288 HydrophobicContact CG1-CB 4.31Å; V280-A288 WeakPolarHBondContact CG1-O 3.48Å; V280-A288 HydrophobicContact CG2-CB 4.17Å; V280-P290 HydrophobicContact CG2-CG 4.23Å; V280-V462 HydrophobicContact CG2-CB 4.49Å; V280-V462 HydrophobicContact CG2-CG1 3.51Å
281	K	95.8	Very high	96.7	Very high	162 Å²	162	33.5 Å²	33.5	70%	0.704	20%	0.199	S	C	*	.	H	α-helix	trans	-69.7	-46.6	178.1	-67.4	179.5	-179.7	-175.3	0	112	P277 A278 L279 A285	P277-K281 PolarHBondContact O-N 2.92Å; A278-K281 PolarHBondContact O-N 2.92Å; A278-K281 VanDerWaalsContact O-N 3.1Å; L279-K281 VanDerWaalsContact C-N 3.28Å; L279-K281 PolarHBondContact O-N 3.27Å; K281-A285 WeakPolarHBondContact O-CA 3.36Å; K281-A285 PolarHBondContact O-N 2.9Å
282	V	94.6	Very high	96.6	Very high	80 Å²	80	36 Å²	36	49%	0.485	22%	0.215	S	C	.	.	H	α-helix	trans	-73.1	-48	-172.1	172.3	0	0	0	0	112.2	A278 L279 F347	A278-V282 WeakPolarHBondContact O-CG2 3.36Å; A278-V282 PolarHBondContact O-N 3.31Å; L279-V282 PolarHBondContact O-N 3.38Å; V282-F347 HydrophobicContact CB-CD2 4.15Å; V282-F347 HydrophobicContact CG1-CD2 4.1Å; V282-F347 HydrophobicContact CG2-CD2 4.19Å; V282-F347 HydrophobicContact CG2-CE2 4.19Å
283	A	93	Very high	96.6	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-95.1	-29.1	-174.1	0	0	0	0	0	113	L279 T340 K343 V344	L279-A283 HydrophobicContact CD1-CB 3.83Å; L279-A283 WeakPolarHBondContact O-CB 3.25Å; L279-A283 PolarHBondContact O-N 3.1Å; A283-T340 VanDerWaalsContact O-CG2 3.27Å; A283-T340 WeakPolarHBondContact O-CG2 3.3Å; A283-K343 HydrophobicContact CB-CB 3.93Å; A283-V344 HydrophobicContact CB-CG2 3.66Å
284	F	93	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-114.3	1.7	-173.4	-56.7	-90.4	0	0	0	114.6	Y227 R250 L279 V280 G286 Y287 A288 T340 V344 V462 E464	Y227-F284 WeakPolarHBondContact CD2-O 3.47Å; Y227-F284 VanDerWaalsContact CE2-CA 3.43Å; Y227-F284 HydrophobicContact CE2-CB 4.14Å; Y227-F284 HydrophobicContact CE2-CD1 4.27Å; Y227-F284 WeakPolarHBondContact CE2-O 3.37Å; R250-F284 HydrophobicContact CG-CZ 4.46Å; L279-F284 HydrophobicContact CD1-CE2 4.49Å; L279-F284 HydrophobicContact CG-CE2 4.27Å; V280-F284 CarbonylContact O-C 3.58Å; V280-F284 VanDerWaalsContact O-C 3.22Å; V280-F284 VanDerWaalsContact O-CA 3.27Å; V280-F284 WeakPolarHBondContact O-CA 2.98Å; V280-F284 VanDerWaalsContact O-CB 3.3Å; V280-F284 WeakPolarHBondContact O-CB 3.43Å; V280-F284 PolarHBondContact O-N 3.33Å; V280-F284 VanDerWaalsContact O-N 3.11Å; F284-G286 PolarHBondContact O-N 3.05Å; F284-Y287 WeakPolarHBondContact O-CB 3.48Å; F284-Y287 PolarHBondContact O-N 2.89Å; F284-A288 HydrophobicContact CB-CB 3.66Å; F284-A288 HydrophobicContact CD1-CB 4.03Å; F284-A288 HydrophobicContact CD2-CB 4.17Å; F284-A288 HydrophobicContact CG-CB 3.69Å; F284-T340 HydrophobicContact CD1-CG2 4.03Å; F284-T340 HydrophobicContact CE1-CG2 4.11Å; F284-V344 HydrophobicContact CE2-CG2 3.79Å; F284-V344 HydrophobicContact CZ-CG2 3.78Å; F284-V462 HydrophobicContact CD2-CG2 4.22Å; F284-V462 HydrophobicContact CE1-CG2 4.19Å; F284-V462 HydrophobicContact CE2-CG1 4.42Å; F284-V462 HydrophobicContact CE2-CG2 3.62Å; F284-V462 HydrophobicContact CZ-CG2 3.61Å; F284-E464 HydrophobicContact CD1-CG 4.24Å; F284-E464 HydrophobicContact CE1-CG 3.83Å
285	A	92.5	Very high	96.6	Very high	57 Å²	57	34.5 Å²	34.5	47%	0.471	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	27.1	-177	0	0	0	0	0	114.4	Y227 V280 K281 Y287	Y227-A285 HydrophobicContact CD2-CB 4.12Å; Y227-A285 HydrophobicContact CG-CB 3.99Å; V280-A285 PolarHBondContact O-N 2.95Å; V280-A285 VanDerWaalsContact O-N 3.09Å; K281-A285 WeakPolarHBondContact O-CA 3.36Å; K281-A285 PolarHBondContact O-N 2.9Å; A285-Y287 HydrophobicContact CB-CD2 4.28Å
286	G	92.8	Very high	96.4	Very high	37 Å²	37	32.9 Å²	32.9	38%	0.381	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-9.2	-174.6	0	0	0	0	0	115.6	V280 F284 A288	V280-G286 PolarHBondContact O-N 2.98Å; F284-G286 PolarHBondContact O-N 3.05Å; G286-A288 PolarHBondContact O-N 3.19Å
287	Y	94.1	Very high	96.1	Very high	40 Å²	40	37.3 Å²	37.3	16%	0.157	23%	0.232	C	C	.	.			trans	-83.9	44	177.5	-62.1	-72.8	0	0	0	113.1	Y227 A230 A243 F284 A285 K465 V467	Y227-Y287 AromaticContact CD1-CD2 3.32Å; Y227-Y287 HydrophobicContact CD1-CD2 3.32Å; Y227-Y287 HydrophobicContact CD1-CE2 4.05Å; Y227-Y287 AromaticContact CD1-CG 3.94Å; Y227-Y287 HydrophobicContact CD1-CG 3.94Å; Y227-Y287 AromaticContact CE1-CD2 3.84Å; Y227-Y287 HydrophobicContact CE1-CD2 3.84Å; Y227-Y287 AromaticContact CE1-CG 3.99Å; Y227-Y287 HydrophobicContact CE1-CG 3.99Å; Y227-Y287 AromaticContact CG-CD2 3.86Å; Y227-Y287 HydrophobicContact CG-CD2 3.86Å; A230-Y287 HydrophobicContact CB-CE2 3.8Å; A230-Y287 VanDerWaalsContact CB-OH 3.27Å; A230-Y287 WeakPolarHBondContact CB-OH 3.46Å; A243-Y287 HydrophobicContact CB-CD1 3.83Å; A243-Y287 HydrophobicContact CB-CE1 3.81Å; F284-Y287 WeakPolarHBondContact O-CB 3.48Å; F284-Y287 PolarHBondContact O-N 2.89Å; A285-Y287 HydrophobicContact CB-CD2 4.28Å; Y287-K465 PolarHBondContact O-N 3.27Å; Y287-V467 HydrophobicContact CD1-CG2 3.38Å; Y287-V467 HydrophobicContact CD2-CG2 3.98Å; Y287-V467 HydrophobicContact CE1-CG1 4.45Å; Y287-V467 HydrophobicContact CE1-CG2 3.95Å; Y287-V467 HydrophobicContact CE2-CG2 4.46Å; Y287-V467 HydrophobicContact CG-CG2 3.4Å
288	A	95.4	Very high	95.6	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.8	171.3	0	0	0	0	0	109	V280 F284 G286 V462 V463	V280-A288 HydrophobicContact CG1-CB 4.31Å; V280-A288 WeakPolarHBondContact CG1-O 3.48Å; V280-A288 HydrophobicContact CG2-CB 4.17Å; F284-A288 HydrophobicContact CB-CB 3.66Å; F284-A288 HydrophobicContact CD1-CB 4.03Å; F284-A288 HydrophobicContact CD2-CB 4.17Å; F284-A288 HydrophobicContact CG-CB 3.69Å; G286-A288 PolarHBondContact O-N 3.19Å; A288-V462 HydrophobicContact CB-CB 4.05Å; A288-V462 HydrophobicContact CB-CG1 4.44Å; A288-V462 HydrophobicContact CB-CG2 4.12Å; A288-V463 CarbonylContact C-O 3.52Å; A288-V463 VanDerWaalsContact CA-O 3.29Å; A288-V463 WeakPolarHBondContact CA-O 3.34Å; A288-V463 WeakPolarHBondContact CB-O 3.34Å
289	T	96.5	Very high	95.3	Very high	65 Å²	65	34.8 Å²	34.8	40%	0.399	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.5	170.8	54	0	0	0	0	110	A291 V462 V463	T289-A291 PolarHBondContact O-N 3.44Å; T289-V462 CarbonylContact O-C 3.58Å; T289-V462 WeakPolarHBondContact O-CA 3.44Å; T289-V462 VanDerWaalsContact O-CB 3.24Å; T289-V462 WeakPolarHBondContact O-CB 3.39Å; T289-V463 PolarHBondContact N-O 2.93Å; T289-V463 PolarHBondContact O-N 3.2Å
290	P	98.3	Very high	95	Very high	46 Å²	46	37 Å²	37	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	131.5	171.2	-26.5	37	0	0	0	110.7	R276 P277 V280 T292	R276-P290 HydrophobicContact CB-CB 3.87Å; R276-P290 HydrophobicContact CB-CG 4.31Å; P277-P290 HydrophobicContact CG-CG 4.2Å; V280-P290 HydrophobicContact CG2-CG 4.23Å; P290-T292 PolarHBondContact O-N 3.03Å
291	A	98.4	Very high	94.9	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	24%	0.24	C	C	.	.			trans	-69.1	126.2	179.2	0	0	0	0	0	110.3	T289 P460 L461	T289-A291 PolarHBondContact O-N 3.44Å; A291-P460 HydrophobicContact CB-CB 3.87Å; A291-L461 PolarHBondContact N-O 3.39Å; A291-L461 VanDerWaalsContact N-O 3.08Å
292	T	98.3	Very high	94.9	Very high	52 Å²	52	32.7 Å²	32.7	32%	0.319	22%	0.216	S	C	.	.	S	Bend	trans	-108.3	12.3	175.2	52.7	0	0	0	0	112.2	P290 S304 Y305 P307	P290-T292 PolarHBondContact O-N 3.03Å; T292-S304 CarbonylContact O-C 3.44Å; T292-S304 WeakPolarHBondContact O-CA 3.44Å; T292-Y305 WeakPolarHBondContact O-CD2 3.29Å; T292-Y305 PolarHBondContact O-N 3.47Å; T292-P307 HydrophobicContact CG2-CB 4.15Å
293	G	98.5	Very high	95.1	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	-163.9	175.7	178.3	0	0	0	0	0	110.1	W453	G293-W453 VanDerWaalsContact CA-CZ3 3.48Å
294	V	98.6	Very high	95.4	Very high	5 Å²	5	35 Å²	35	3%	0.03	23%	0.23	C	C	.	.	S	Bend	trans	-88.7	-14.4	172.9	-65.6	0	0	0	0	112.9	L401 F405 Q449 I452 W453 W458 P460	V294-L401 HydrophobicContact CG2-CD2 4.07Å; V294-F405 HydrophobicContact CB-CE2 4.16Å; V294-F405 HydrophobicContact CB-CZ 3.98Å; V294-F405 HydrophobicContact CG1-CZ 4.13Å; V294-F405 HydrophobicContact CG2-CE2 4.14Å; V294-F405 HydrophobicContact CG2-CZ 4.33Å; V294-Q449 HydrophobicContact CG2-CG 4.35Å; V294-I452 HydrophobicContact CG1-CG2 4Å; V294-I452 HydrophobicContact CG2-CG2 4.13Å; V294-W453 HydrophobicContact CG1-CE3 4.24Å; V294-W458 HydrophobicContact CB-CE3 4.3Å; V294-W458 HydrophobicContact CB-CZ3 4.18Å; V294-W458 HydrophobicContact CG1-CE3 4.13Å; V294-P460 HydrophobicContact CG1-CG 4.12Å
295	V	98.4	Very high	95.7	Very high	4 Å²	4	37 Å²	37	2%	0.024	24%	0.238	C	C	.	.	S	Bend	trans	-116.8	133.6	176.5	-178.6	0	0	0	0	109.1	I299 A302 A400 L401	V295-I299 HydrophobicContact CG1-CB 3.57Å; V295-I299 HydrophobicContact CG1-CG1 4.01Å; V295-I299 HydrophobicContact CG1-CG2 3.67Å; V295-A302 HydrophobicContact CB-CB 4.01Å; V295-A302 HydrophobicContact CG1-CB 3.66Å; V295-A400 HydrophobicContact CB-CB 4.38Å; V295-A400 HydrophobicContact CG1-CB 3.69Å; V295-A400 HydrophobicContact CG2-CB 3.85Å; V295-L401 HydrophobicContact CG2-CD1 4.48Å; V295-L401 HydrophobicContact CG2-CD2 3.59Å; V295-L401 HydrophobicContact CG2-CG 3.86Å
296	P	95.7	Very high	95.9	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.026	25%	0.254	C	S	.	.			trans	-58.4	141.6	173.7	-27.2	37.1	0	0	0	112.2	I247 Q249 S298 I299 A302 V463	I247-P296 WeakPolarHBondContact O-CG 3.47Å; Q249-P296 HydrophobicContact CB-CG 3.86Å; P296-S298 PolarHBondContact O-N 3.5Å; P296-S298 VanDerWaalsContact O-N 3.07Å; P296-I299 HydrophobicContact CB-CG1 4.43Å; P296-I299 WeakPolarHBondContact O-CB 3.42Å; P296-I299 PolarHBondContact O-N 3.07Å; P296-A302 WeakPolarHBondContact O-CB 3.47Å; P296-V463 HydrophobicContact CB-CG1 4.04Å; P296-V463 HydrophobicContact CB-CG2 4.26Å; P296-V463 HydrophobicContact CG-CG1 4.42Å; P296-V463 HydrophobicContact CG-CG2 4.37Å
297	P	92.4	Very high	96.2	Very high	100 Å²	100	44.9 Å²	44.9	65%	0.649	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.7	-172.3	26.8	-35.8	0	0	0	114.4	I299	P297-I299 VanDerWaalsContact C-N 3.26Å; P297-I299 PolarHBondContact O-N 2.94Å
298	S	87.8	Confident	96.4	Very high	47 Å²	47	44.9 Å²	44.9	33%	0.329	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.8	175.7	-61.2	0	0	0	0	113.7	P296	P296-S298 PolarHBondContact O-N 3.5Å; P296-S298 VanDerWaalsContact O-N 3.07Å
299	I	92	Very high	96.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.278	C	S	.	.	S	Bend	trans	-86.6	135.6	176.7	-63	-61.3	0	0	0	109.8	I247 V295 P296 P297 Y301 A302 A392 E396 A400	I247-I299 HydrophobicContact CB-CD1 3.88Å; I247-I299 HydrophobicContact CB-CG1 4.29Å; I247-I299 HydrophobicContact CD1-CD1 4.07Å; I247-I299 HydrophobicContact CG2-CD1 3.52Å; I247-I299 HydrophobicContact CG2-CG1 4Å; V295-I299 HydrophobicContact CG1-CB 3.57Å; V295-I299 HydrophobicContact CG1-CG1 4.01Å; V295-I299 HydrophobicContact CG1-CG2 3.67Å; P296-I299 HydrophobicContact CB-CG1 4.43Å; P296-I299 WeakPolarHBondContact O-CB 3.42Å; P296-I299 PolarHBondContact O-N 3.07Å; P297-I299 VanDerWaalsContact C-N 3.26Å; P297-I299 PolarHBondContact O-N 2.94Å; I299-Y301 PolarHBondContact O-N 2.75Å; I299-A302 HydrophobicContact CB-CB 4.48Å; I299-A302 WeakPolarHBondContact O-CB 3.35Å; I299-A302 PolarHBondContact O-N 2.67Å; I299-A392 HydrophobicContact CD1-CB 3.77Å; I299-A392 WeakPolarHBondContact CD1-O 3.34Å; I299-A392 HydrophobicContact CG1-CB 4.21Å; I299-E396 WeakPolarHBondContact CG2-O 3.43Å; I299-A400 HydrophobicContact CG2-CB 4.23Å
300	A	90.8	Very high	96.6	Very high	47 Å²	47	49.4 Å²	49.4	39%	0.388	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-57.2	137	176.7	0	0	0	0	0	111.2	A302 G395 E396 A397	A300-A302 PolarHBondContact O-N 3.24Å; A300-G395 WeakPolarHBondContact CB-O 3.39Å; A300-G395 PolarHBondContact N-O 2.93Å; A300-E396 HydrophobicContact CB-CB 4.22Å; A300-A397 WeakPolarHBondContact O-CB 3.38Å; A300-A397 PolarHBondContact O-N 2.75Å
301	Y	95.4	Very high	96.6	Very high	61 Å²	61	50.1 Å²	50.1	24%	0.239	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	7.9	-177.8	-40.7	-73.3	0	0	0	116.3	I299 A397 K441 T442 Y445 Q449	I299-Y301 PolarHBondContact O-N 2.75Å; Y301-A397 HydrophobicContact CD2-CB 4.47Å; Y301-K441 HydrophobicContact CD1-CB 4.38Å; Y301-K441 HydrophobicContact CE1-CB 3.91Å; Y301-T442 WeakPolarHBondContact CD1-OG1 3.25Å; Y301-Y445 HydrophobicContact CD1-CD2 4.42Å; Y301-Y445 AromaticContact CD2-CD2 3.71Å; Y301-Y445 HydrophobicContact CD2-CD2 3.71Å; Y301-Y445 AromaticContact CD2-CE2 3.65Å; Y301-Y445 HydrophobicContact CD2-CE2 3.65Å; Y301-Y445 HydrophobicContact CE2-CE2 4.19Å; Y301-Y445 AromaticContact CG-CD2 3.64Å; Y301-Y445 HydrophobicContact CG-CD2 3.64Å; Y301-Y445 HydrophobicContact CG-CE2 4.08Å; Y301-Q449 PolarHBondContact O-NE2 2.87Å
302	A	97.2	Very high	96.6	Very high	23 Å²	23	51.1 Å²	51.1	19%	0.19	29%	0.285	C	S	.	.			trans	-59	144.5	173.6	0	0	0	0	0	112.1	V295 P296 I299 A300	V295-A302 HydrophobicContact CB-CB 4.01Å; V295-A302 HydrophobicContact CG1-CB 3.66Å; P296-A302 WeakPolarHBondContact O-CB 3.47Å; I299-A302 HydrophobicContact CB-CB 4.48Å; I299-A302 WeakPolarHBondContact O-CB 3.35Å; I299-A302 PolarHBondContact O-N 2.67Å; A300-A302 PolarHBondContact O-N 3.24Å
303	Q	98.6	Very high	96.7	Very high	42 Å²	42	53.4 Å²	53.4	20%	0.196	30%	0.299	C	S	.	.			trans	-110.3	155.2	171.8	-64.9	-58.9	-60.7	0	0	111.3	Y305 K446 Q449	Q303-Y305 HydrophobicContact CB-CE2 4.06Å; Q303-Y305 WeakPolarHBondContact CB-OH 3.24Å; Q303-K446 HydrophobicContact CG-CB 3.9Å; Q303-K446 HydrophobicContact CG-CG 3.84Å; Q303-Q449 HydrophobicContact CB-CB 4.24Å; Q303-Q449 HydrophobicContact CG-CB 4.27Å
304	S	98.3	Very high	96.7	Very high	87 Å²	87	56 Å²	56	61%	0.608	31%	0.309	S	S	*	.			trans	-130	148.1	172.8	65.7	0	0	0	0	110.8	T292	T292-S304 CarbonylContact O-C 3.44Å; T292-S304 WeakPolarHBondContact O-CA 3.44Å
305	Y	98.6	Very high	96.7	Very high	44 Å²	44	55.7 Å²	55.7	17%	0.173	31%	0.307	C	S	.	.			trans	-126.4	168.5	-171.7	-57.3	-78.8	0	0	0	110.2	T292 Q303 Q449 D450 W453	T292-Y305 WeakPolarHBondContact O-CD2 3.29Å; T292-Y305 PolarHBondContact O-N 3.47Å; Q303-Y305 HydrophobicContact CB-CE2 4.06Å; Q303-Y305 WeakPolarHBondContact CB-OH 3.24Å; Y305-Q449 WeakPolarHBondContact OH-CB 3.42Å; Y305-Q449 PolarHBondContact OH-O 2.61Å; Y305-D450 WeakPolarHBondContact CE1-OD1 3.31Å; Y305-D450 WeakPolarHBondContact OH-CA 3.22Å; Y305-D450 PolarHBondContact OH-N 3.27Å; Y305-D450 PolarHBondContact OH-OD1 3.37Å; Y305-W453 AromaticContact CD1-CD1 3.92Å; Y305-W453 HydrophobicContact CD1-CG 4.15Å; Y305-W453 HydrophobicContact CD2-CB 3.98Å; Y305-W453 AromaticContact CD2-CD1 3.99Å; Y305-W453 AromaticContact CD2-CD2 3.46Å; Y305-W453 HydrophobicContact CD2-CD2 3.46Å; Y305-W453 VanDerWaalsContact CD2-CD2 3.46Å; Y305-W453 AromaticContact CD2-CE2 3.92Å; Y305-W453 AromaticContact CD2-CE3 3.78Å; Y305-W453 HydrophobicContact CD2-CE3 3.78Å; Y305-W453 AromaticContact CD2-CG 3.54Å; Y305-W453 HydrophobicContact CD2-CG 3.54Å; Y305-W453 HydrophobicContact CD2-CZ3 4.45Å; Y305-W453 HydrophobicContact CE1-CB 4.37Å; Y305-W453 HydrophobicContact CE1-CG 4.45Å; Y305-W453 HydrophobicContact CE2-CB 3.79Å; Y305-W453 HydrophobicContact CE2-CD2 4.14Å; Y305-W453 HydrophobicContact CE2-CE3 4.35Å; Y305-W453 AromaticContact CE2-CG 3.9Å; Y305-W453 HydrophobicContact CE2-CG 3.9Å; Y305-W453 HydrophobicContact CG-CB 4.37Å; Y305-W453 AromaticContact CG-CD1 3.65Å; Y305-W453 AromaticContact CG-CD2 3.82Å; Y305-W453 HydrophobicContact CG-CD2 3.82Å; Y305-W453 AromaticContact CG-CE2 3.87Å; Y305-W453 AromaticContact CG-CG 3.7Å; Y305-W453 HydrophobicContact CG-CG 3.7Å; Y305-W453 AromaticContact CG-NE1 3.76Å
306	K	98.2	Very high	96.7	Very high	185 Å²	185	60.5 Å²	60.5	80%	0.804	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-58	129.9	168.9	-171.8	177.2	178.8	177.5	0	108.8
307	P	97.8	Very high	96.8	Very high	75 Å²	75	64.9 Å²	64.9	49%	0.487	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-61	143.7	-178.7	23.5	-33.6	0	0	0	111.1	T292 P309	T292-P307 HydrophobicContact CG2-CB 4.15Å; P307-P309 WeakPolarHBondContact O-CD 3.16Å
308	W	98	Very high	97.1	Very high	39 Å²	39	60.4 Å²	60.4	15%	0.148	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.2	123.2	168.6	-77.1	99.8	0	0	0	109.9	E268 N271 Y272 W453 S456	E268-W308 HydrophobicContact CG-CH2 3.94Å; E268-W308 HydrophobicContact CG-CZ3 3.94Å; N271-W308 HydrophobicContact CB-CD2 3.64Å; N271-W308 HydrophobicContact CB-CE3 3.75Å; N271-W308 HydrophobicContact CB-CG 4.15Å; N271-W308 HydrophobicContact CB-CH2 4.22Å; N271-W308 HydrophobicContact CB-CZ2 4.12Å; N271-W308 HydrophobicContact CB-CZ3 4.04Å; Y272-W308 HydrophobicContact CD2-CE3 4.22Å; Y272-W308 AromaticContact CD2-CZ3 3.95Å; Y272-W308 HydrophobicContact CD2-CZ3 3.95Å; Y272-W308 HydrophobicContact CE2-CE3 4.09Å; Y272-W308 AromaticContact CE2-CZ3 3.61Å; Y272-W308 HydrophobicContact CE2-CZ3 3.61Å; W308-W453 AromaticContact CD1-CH2 3.5Å; W308-W453 AromaticContact CD1-CZ2 3.34Å; W308-W453 HydrophobicContact CG-CZ2 4.37Å; W308-W453 AromaticContact NE1-CE2 3.67Å; W308-W453 AromaticContact NE1-CH2 3.58Å; W308-W453 AromaticContact NE1-CZ2 3.21Å; W308-S456 WeakPolarHBondContact CZ2-OG 3.27Å
309	P	98.3	Very high	97.7	Very high	70 Å²	70	58.3 Å²	58.3	46%	0.455	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-71.7	152.8	172.5	33.5	-36.7	0	0	0	109.9	Y272 P307	Y272-P309 HydrophobicContact CD1-CG 3.82Å; Y272-P309 HydrophobicContact CE1-CG 3.35Å; P307-P309 WeakPolarHBondContact O-CD 3.16Å
310	Y	98.8	Very high	98	Very high	95 Å²	95	65.2 Å²	65.2	37%	0.373	33%	0.33	S	S	.	.			trans	-89	111.3	170.3	170.8	-123.1	0	0	0	109.3	Y272 A273 N275 P312	Y272-Y310 WeakPolarHBondContact O-CD2 3.48Å; A273-Y310 WeakPolarHBondContact O-CE2 3.31Å; N275-Y310 HydrophobicContact CB-CD1 3.76Å; N275-Y310 HydrophobicContact CB-CD2 3.69Å; N275-Y310 HydrophobicContact CB-CE1 3.97Å; N275-Y310 HydrophobicContact CB-CE2 3.91Å; N275-Y310 HydrophobicContact CB-CG 3.6Å; N275-Y310 VanDerWaalsContact ND2-CD1 3.34Å; N275-Y310 WeakPolarHBondContact ND2-CD1 3.41Å; Y310-P312 HydrophobicContact CD2-CG 4.24Å; Y310-P312 HydrophobicContact CE1-CG 4.18Å; Y310-P312 HydrophobicContact CE2-CG 3.38Å; Y310-P312 VanDerWaalsContact OH-CG 3.28Å; Y310-P312 WeakPolarHBondContact OH-CG 3.35Å
311	D	98.8	Very high	98.3	Very high	61 Å²	61	67.6 Å²	67.6	33%	0.326	33%	0.333	S	S	.	.			trans	-147	90	-179.8	-169.3	-21.8	0	0	0	111.5	Y272 V313 K314 A315	Y272-D311 HydrophobicContact CD1-CB 3.83Å; Y272-D311 HydrophobicContact CE1-CB 4.45Å; Y272-D311 PolarHBondContact O-N 3.27Å; D311-V313 PolarHBondContact O-N 3.11Å; D311-V313 WeakPolarHBondContact OD1-CA 3.45Å; D311-V313 WeakPolarHBondContact OD1-CB 3.42Å; D311-V313 PolarHBondContact OD1-N 3.19Å; D311-K314 HydrophobicContact CB-CB 3.92Å; D311-K314 PolarHBondContact O-N 3.01Å; D311-K314 PolarHBondContact OD1-N 3.23Å; D311-A315 PolarHBondContact O-N 2.78Å
312	P	98.7	Very high	98.5	Very high	24 Å²	24	65.4 Å²	65.4	16%	0.156	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-25.1	175.5	-24.9	34.9	0	0	0	114.3	Y310 R316 V355	Y310-P312 HydrophobicContact CD2-CG 4.24Å; Y310-P312 HydrophobicContact CE1-CG 4.18Å; Y310-P312 HydrophobicContact CE2-CG 3.38Å; Y310-P312 VanDerWaalsContact OH-CG 3.28Å; Y310-P312 WeakPolarHBondContact OH-CG 3.35Å; P312-R316 WeakPolarHBondContact O-CG 3.31Å; P312-R316 VanDerWaalsContact O-CZ 3.22Å; P312-R316 PolarHBondContact O-N 2.75Å; P312-R316 VanDerWaalsContact O-N 3.13Å; P312-R316 PolarHBondContact O-NE 2.66Å; P312-R316 PolarHBondContact O-NH2 3.4Å; P312-V355 HydrophobicContact CB-CG1 4.06Å
313	V	98.7	Very high	98.5	Very high	99 Å²	99	66.9 Å²	66.9	60%	0.6	35%	0.346	S	S	*	.	H	α-helix	trans	-70.8	-49.9	178.1	177.6	0	0	0	0	108.7	D311 A315 R316 E317	D311-V313 PolarHBondContact O-N 3.11Å; D311-V313 WeakPolarHBondContact OD1-CA 3.45Å; D311-V313 WeakPolarHBondContact OD1-CB 3.42Å; D311-V313 PolarHBondContact OD1-N 3.19Å; V313-A315 VanDerWaalsContact C-N 3.31Å; V313-A315 PolarHBondContact O-N 3.24Å; V313-R316 PolarHBondContact O-N 2.57Å; V313-E317 PolarHBondContact O-N 3.26Å
314	K	98.7	Very high	98.5	Very high	58 Å²	58	68.1 Å²	68.1	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.4	-173.5	51.6	168.8	171.5	0	112.3	Y272 D311 R316 E317 L318	Y272-K314 HydrophobicContact CD1-CB 4.25Å; Y272-K314 HydrophobicContact CD1-CG 4.2Å; Y272-K314 HydrophobicContact CD2-CG 4.31Å; Y272-K314 HydrophobicContact CE1-CB 4.41Å; Y272-K314 HydrophobicContact CE1-CG 4Å; Y272-K314 HydrophobicContact CE2-CG 4.19Å; Y272-K314 HydrophobicContact CG-CG 4.34Å; D311-K314 HydrophobicContact CB-CB 3.92Å; D311-K314 PolarHBondContact O-N 3.01Å; D311-K314 PolarHBondContact OD1-N 3.23Å; K314-R316 PolarHBondContact O-N 2.83Å; K314-E317 WeakPolarHBondContact CD-OE2 3.5Å; K314-E317 IonicContact NZ-OE2 3.79Å; K314-E317 PolarHBondContact NZ-OE2 3.37Å; K314-E317 WeakPolarHBondContact O-CB 3.16Å; K314-E317 PolarHBondContact O-N 3.32Å; K314-L318 HydrophobicContact CD-CD1 4.45Å; K314-L318 HydrophobicContact CD-CG 4.33Å; K314-L318 HydrophobicContact CG-CD1 4.21Å; K314-L318 WeakPolarHBondContact O-CG 3.5Å; K314-L318 PolarHBondContact O-N 2.93Å
315	A	98.8	Very high	98.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-47.3	175	0	0	0	0	0	112.3	A269 A273 D311 V313 E317 L318 L319 V355	A269-A315 WeakPolarHBondContact CB-O 3.48Å; A269-A315 VanDerWaalsContact O-CB 3.26Å; A269-A315 WeakPolarHBondContact O-CB 3.43Å; A273-A315 HydrophobicContact CB-CB 4.24Å; D311-A315 PolarHBondContact O-N 2.78Å; V313-A315 VanDerWaalsContact C-N 3.31Å; V313-A315 PolarHBondContact O-N 3.24Å; A315-E317 PolarHBondContact O-N 3.04Å; A315-L318 PolarHBondContact O-N 3.37Å; A315-L319 WeakPolarHBondContact O-CG 3.4Å; A315-L319 PolarHBondContact O-N 3.48Å; A315-V355 HydrophobicContact CB-CB 4.43Å; A315-V355 HydrophobicContact CB-CG1 3.79Å
316	R	98.8	Very high	98.5	Very high	104 Å²	104	73 Å²	73	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-36.6	177.1	-74.4	-177.1	-64.8	-93.4	-3.7	112.8	P312 V313 K314 L319 K320 Q354 V355	P312-R316 WeakPolarHBondContact O-CG 3.31Å; P312-R316 VanDerWaalsContact O-CZ 3.22Å; P312-R316 PolarHBondContact O-N 2.75Å; P312-R316 VanDerWaalsContact O-N 3.13Å; P312-R316 PolarHBondContact O-NE 2.66Å; P312-R316 PolarHBondContact O-NH2 3.4Å; V313-R316 PolarHBondContact O-N 2.57Å; K314-R316 PolarHBondContact O-N 2.83Å; R316-L319 PolarHBondContact O-N 3.27Å; R316-K320 WeakPolarHBondContact O-CB 3.02Å; R316-K320 PolarHBondContact O-N 3.15Å; R316-Q354 PolarHBondContact NH1-O 3.21Å; R316-V355 HydrophobicContact CG-CB 4.02Å; R316-V355 HydrophobicContact CG-CG1 4.15Å
317	E	98.7	Very high	98.5	Very high	97 Å²	97	64.9 Å²	64.9	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-51.4	174.2	-176.7	-176.5	-139.8	0	0	111	V313 K314 A315 L319 K320 E321	V313-E317 PolarHBondContact O-N 3.26Å; K314-E317 WeakPolarHBondContact CD-OE2 3.5Å; K314-E317 IonicContact NZ-OE2 3.79Å; K314-E317 PolarHBondContact NZ-OE2 3.37Å; K314-E317 WeakPolarHBondContact O-CB 3.16Å; K314-E317 PolarHBondContact O-N 3.32Å; A315-E317 PolarHBondContact O-N 3.04Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 3.01Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.3Å; E317-K320 VanDerWaalsContact O-N 3.12Å; E317-E321 PolarHBondContact O-N 3.42Å
318	L	98.8	Very high	98.5	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-38.8	178	-74.6	169.4	0	0	0	112.5	E268 A269 Y272 K314 A315 E321 A322	E268-L318 HydrophobicContact CB-CD1 4.33Å; E268-L318 HydrophobicContact CG-CD1 3.8Å; A269-L318 HydrophobicContact CB-CB 3.69Å; A269-L318 HydrophobicContact CB-CD1 4.31Å; Y272-L318 HydrophobicContact CD2-CD1 3.96Å; Y272-L318 HydrophobicContact CE2-CD1 4.08Å; K314-L318 HydrophobicContact CD-CD1 4.45Å; K314-L318 HydrophobicContact CD-CG 4.33Å; K314-L318 HydrophobicContact CG-CD1 4.21Å; K314-L318 WeakPolarHBondContact O-CG 3.5Å; K314-L318 PolarHBondContact O-N 2.93Å; A315-L318 PolarHBondContact O-N 3.37Å; L318-E321 PolarHBondContact O-N 2.99Å; L318-A322 VanDerWaalsContact O-CB 3.29Å; L318-A322 WeakPolarHBondContact O-CB 3.15Å; L318-A322 PolarHBondContact O-N 3.3Å
319	L	98.9	Very high	98.6	Very high	2 Å²	2	65 Å²	65	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-41.7	173.9	-73.9	171.3	0	0	0	111.8	V266 A269 A315 R316 E317 A322 G323 Y324 F328 V355 I357	V266-L319 HydrophobicContact CG1-CD2 4.26Å; V266-L319 HydrophobicContact CG2-CD2 4.45Å; A269-L319 HydrophobicContact CB-CD2 4.12Å; A269-L319 HydrophobicContact CB-CG 3.86Å; A315-L319 WeakPolarHBondContact O-CG 3.4Å; A315-L319 PolarHBondContact O-N 3.48Å; R316-L319 PolarHBondContact O-N 3.27Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 3.01Å; L319-A322 PolarHBondContact O-N 3.32Å; L319-G323 PolarHBondContact O-N 3.38Å; L319-Y324 CarbonylContact O-C 3.57Å; L319-Y324 WeakPolarHBondContact O-CA 3.48Å; L319-Y324 PolarHBondContact O-N 2.96Å; L319-F328 HydrophobicContact CD2-CE1 3.87Å; L319-V355 HydrophobicContact CD1-CB 4.18Å; L319-V355 HydrophobicContact CD1-CG2 4.3Å; L319-V355 VanDerWaalsContact CD1-O 3.3Å; L319-V355 WeakPolarHBondContact CD1-O 3.16Å; L319-I357 HydrophobicContact CD1-CD1 4Å; L319-I357 HydrophobicContact CD1-CG1 4.22Å; L319-I357 HydrophobicContact CD2-CD1 4.26Å
320	K	98.7	Very high	98.6	Very high	150 Å²	150	62.4 Å²	62.4	65%	0.652	33%	0.333	S	S	*	.	H	α-helix	trans	-62.7	-46.8	174.5	178.3	178.8	178.5	-173.8	0	111.4	R316 E317 A322 G323 P325	R316-K320 WeakPolarHBondContact O-CB 3.02Å; R316-K320 PolarHBondContact O-N 3.15Å; E317-K320 WeakPolarHBondContact O-CB 3.45Å; E317-K320 PolarHBondContact O-N 3.3Å; E317-K320 VanDerWaalsContact O-N 3.12Å; K320-A322 PolarHBondContact O-N 2.66Å; K320-G323 PolarHBondContact O-N 3.39Å; K320-P325 HydrophobicContact CB-CB 4.48Å; K320-P325 HydrophobicContact CG-CB 4.21Å
321	E	98.5	Very high	98.6	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-32.9	175.1	-72	-179.4	-141.2	0	0	112.7	K265 E317 L318 G323	K265-E321 HydrophobicContact CD-CB 4.27Å; K265-E321 IonicContact NZ-OE2 2.62Å; K265-E321 PolarHBondContact NZ-OE2 2.72Å; E317-E321 PolarHBondContact O-N 3.42Å; L318-E321 PolarHBondContact O-N 2.99Å; E321-G323 PolarHBondContact O-N 2.75Å
322	A	98.5	Very high	98.6	Very high	15 Å²	15	56.8 Å²	56.8	12%	0.124	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.9	176.2	0	0	0	0	0	114	K265 V266 L318 L319 K320 Y324	K265-A322 HydrophobicContact CB-CB 4.19Å; V266-A322 HydrophobicContact CG2-CB 3.66Å; L318-A322 VanDerWaalsContact O-CB 3.29Å; L318-A322 WeakPolarHBondContact O-CB 3.15Å; L318-A322 PolarHBondContact O-N 3.3Å; L319-A322 PolarHBondContact O-N 3.32Å; K320-A322 PolarHBondContact O-N 2.66Å; A322-Y324 HydrophobicContact CB-CD2 4.09Å; A322-Y324 WeakPolarHBondContact O-CD2 3.47Å; A322-Y324 WeakPolarHBondContact O-CE2 3.21Å
323	G	98.5	Very high	98.5	Very high	55 Å²	55	57.1 Å²	57.1	57%	0.567	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	12.8	-179.5	0	0	0	0	0	115.2	L319 K320 E321 P325	L319-G323 PolarHBondContact O-N 3.38Å; K320-G323 PolarHBondContact O-N 3.39Å; E321-G323 PolarHBondContact O-N 2.75Å; G323-P325 VanDerWaalsContact O-CD 3.31Å; G323-P325 WeakPolarHBondContact O-CD 3.48Å
324	Y	98.5	Very high	98.3	Very high	68 Å²	68	52.5 Å²	52.5	27%	0.267	28%	0.281	S	S	.	.			trans	-119.8	60.6	-178.8	-58.3	-82.1	0	0	0	112.3	P260 V266 L319 A322 N326 G327 F328	P260-Y324 HydrophobicContact CB-CD2 4.47Å; P260-Y324 HydrophobicContact CB-CE1 4.1Å; P260-Y324 HydrophobicContact CB-CE2 3.65Å; P260-Y324 VanDerWaalsContact CB-CZ 3.44Å; P260-Y324 WeakPolarHBondContact CB-OH 3.44Å; V266-Y324 HydrophobicContact CG2-CD2 4.09Å; V266-Y324 HydrophobicContact CG2-CE2 4.11Å; L319-Y324 CarbonylContact O-C 3.57Å; L319-Y324 WeakPolarHBondContact O-CA 3.48Å; L319-Y324 PolarHBondContact O-N 2.96Å; A322-Y324 HydrophobicContact CB-CD2 4.09Å; A322-Y324 WeakPolarHBondContact O-CD2 3.47Å; A322-Y324 WeakPolarHBondContact O-CE2 3.21Å; Y324-N326 PolarHBondContact O-N 2.69Å; Y324-N326 VanDerWaalsContact O-N 3.1Å; Y324-G327 PolarHBondContact O-N 2.89Å; Y324-F328 HydrophobicContact CD1-CB 4.11Å; Y324-F328 AromaticContact CD1-CD1 3.74Å; Y324-F328 HydrophobicContact CD1-CD1 3.74Å; Y324-F328 HydrophobicContact CD1-CG 4.34Å; Y324-F328 HydrophobicContact CD2-CD1 4.43Å; Y324-F328 HydrophobicContact CE1-CB 4.47Å; Y324-F328 HydrophobicContact CE1-CD1 4.28Å; Y324-F328 AromaticContact CG-CD1 3.84Å; Y324-F328 HydrophobicContact CG-CD1 3.84Å; Y324-F328 HydrophobicContact CG-CE1 4.45Å
325	P	98	Very high	97.8	Very high	86 Å²	86	51.3 Å²	51.3	56%	0.558	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.6	-177	24.9	-34.9	0	0	0	114	K320 G323	K320-P325 HydrophobicContact CB-CB 4.48Å; K320-P325 HydrophobicContact CG-CB 4.21Å; G323-P325 VanDerWaalsContact O-CD 3.31Å; G323-P325 WeakPolarHBondContact O-CD 3.48Å
326	N	97.7	Very high	96.8	Very high	147 Å²	147	56.3 Å²	56.3	79%	0.786	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	14.5	178.3	-60.7	-36.8	0	0	0	112.5	Y324	Y324-N326 PolarHBondContact O-N 2.69Å; Y324-N326 VanDerWaalsContact O-N 3.1Å
327	G	98.2	Very high	95.5	Very high	15 Å²	15	53.8 Å²	53.8	16%	0.155	30%	0.297	C	S	.	.			trans	68.4	-154.8	-172.4	0	0	0	0	0	113.6	Y324 G356	Y324-G327 PolarHBondContact O-N 2.89Å; G327-G356 WeakPolarHBondContact CA-O 3.48Å
328	F	98.8	Very high	93.9	Very high	26 Å²	26	55.9 Å²	55.9	11%	0.114	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	172.3	-176.9	55.3	-98.3	0	0	0	111.1	P260 F261 V266 L319 Y324 T330 G356 I357 K358	P260-F328 HydrophobicContact CB-CD1 4.37Å; P260-F328 HydrophobicContact CB-CE1 4.15Å; P260-F328 HydrophobicContact CB-CZ 4.36Å; P260-F328 HydrophobicContact CG-CD1 3.75Å; P260-F328 HydrophobicContact CG-CD2 3.67Å; P260-F328 HydrophobicContact CG-CE1 3.44Å; P260-F328 VanDerWaalsContact CG-CE1 3.44Å; P260-F328 HydrophobicContact CG-CE2 3.38Å; P260-F328 HydrophobicContact CG-CG 3.87Å; P260-F328 HydrophobicContact CG-CZ 3.26Å; F261-F328 HydrophobicContact CE1-CE2 4.32Å; F261-F328 HydrophobicContact CE1-CZ 4.3Å; F261-F328 HydrophobicContact CZ-CE2 4.35Å; V266-F328 HydrophobicContact CG1-CE1 3.81Å; V266-F328 HydrophobicContact CG1-CZ 3.76Å; L319-F328 HydrophobicContact CD2-CE1 3.87Å; Y324-F328 HydrophobicContact CD1-CB 4.11Å; Y324-F328 AromaticContact CD1-CD1 3.74Å; Y324-F328 HydrophobicContact CD1-CD1 3.74Å; Y324-F328 HydrophobicContact CD1-CG 4.34Å; Y324-F328 HydrophobicContact CD2-CD1 4.43Å; Y324-F328 HydrophobicContact CE1-CB 4.47Å; Y324-F328 HydrophobicContact CE1-CD1 4.28Å; Y324-F328 AromaticContact CG-CD1 3.84Å; Y324-F328 HydrophobicContact CG-CD1 3.84Å; Y324-F328 HydrophobicContact CG-CE1 4.45Å; F328-T330 HydrophobicContact CE2-CG2 4.29Å; F328-G356 PolarHBondContact N-O 3.03Å; F328-I357 HydrophobicContact CD1-CD1 3.45Å; F328-I357 VanDerWaalsContact CD1-CD1 3.45Å; F328-I357 HydrophobicContact CD2-CD1 4.05Å; F328-I357 HydrophobicContact CD2-CG2 4.39Å; F328-I357 HydrophobicContact CE1-CD1 3.28Å; F328-I357 HydrophobicContact CE1-CG1 4.43Å; F328-I357 HydrophobicContact CE2-CD1 3.89Å; F328-I357 HydrophobicContact CE2-CG2 3.98Å; F328-I357 HydrophobicContact CG-CD1 3.83Å; F328-I357 HydrophobicContact CZ-CD1 3.5Å; F328-I357 VanDerWaalsContact CZ-CD1 3.5Å; F328-I357 HydrophobicContact CZ-CG1 4.29Å; F328-I357 HydrophobicContact CZ-CG2 4.4Å; F328-I357 WeakPolarHBondContact O-CA 3.31Å; F328-K358 PolarHBondContact O-N 3.33Å
329	S	98.8	Very high	92.5	Very high	91 Å²	91	59.1 Å²	59.1	64%	0.636	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.7	172.2	-59.9	0	0	0	0	111.6	K358	S329-K358 VanDerWaalsContact CA-O 3.3Å; S329-K358 WeakPolarHBondContact CA-O 3.42Å
330	T	98.8	Very high	91.8	Very high	15 Å²	15	59.7 Å²	59.7	9%	0.092	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	174.1	176.3	-173.8	0	0	0	0	110.2	F261 F328 I357 K358 A359 Q360 R384 M385	F261-T330 HydrophobicContact CZ-CG2 4.29Å; F261-T330 WeakPolarHBondContact CZ-OG1 3.45Å; F328-T330 HydrophobicContact CE2-CG2 4.29Å; T330-I357 HydrophobicContact CG2-CG2 4.09Å; T330-K358 PolarHBondContact N-O 3.09Å; T330-A359 HydrophobicContact CG2-CB 4.17Å; T330-A359 CarbonylContact O-C 3.58Å; T330-A359 WeakPolarHBondContact O-CA 3.27Å; T330-Q360 PolarHBondContact O-N 3.2Å; T330-R384 WeakPolarHBondContact OG1-CB 3.35Å; T330-M385 HydrophobicContact CG2-CG 4.45Å; T330-M385 HydrophobicContact CG2-SD 3.68Å
331	T	98.5	Very high	91.4	Very high	37 Å²	37	52.7 Å²	52.7	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.1	165.7	58.2	0	0	0	0	110.8	Q360 R384 M385	T331-Q360 CarbonylContact C-O 3.58Å; T331-Q360 WeakPolarHBondContact CA-O 3.38Å; T331-Q360 HydrophobicContact CG2-CB 4.44Å; T331-R384 WeakPolarHBondContact OG1-CB 3.13Å; T331-R384 WeakPolarHBondContact OG1-CG 3.04Å; T331-M385 WeakPolarHBondContact O-CB 3.19Å; T331-M385 PolarHBondContact O-N 3.11Å
332	L	98.5	Very high	90.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	103.4	169	174.2	59.9	0	0	0	108.5	I252 L345 T348 A359 Q360 V361 T362 M385	I252-L332 HydrophobicContact CD1-CD1 4.29Å; I252-L332 HydrophobicContact CG1-CD1 4.34Å; I252-L332 HydrophobicContact CG2-CD1 4.07Å; L332-L345 HydrophobicContact CD1-CD2 4.44Å; L332-L345 HydrophobicContact CD2-CD2 3.74Å; L332-L345 HydrophobicContact CG-CD2 3.73Å; L332-T348 HydrophobicContact CD2-CG2 3.74Å; L332-A359 HydrophobicContact CB-CB 4.13Å; L332-Q360 PolarHBondContact N-O 2.75Å; L332-V361 HydrophobicContact CB-CG2 4.43Å; L332-V361 HydrophobicContact CD2-CG2 4.37Å; L332-V361 VanDerWaalsContact O-CA 3.3Å; L332-V361 WeakPolarHBondContact O-CA 3.36Å; L332-T362 PolarHBondContact O-N 2.75Å; L332-M385 WeakPolarHBondContact CA-O 3.31Å; L332-M385 HydrophobicContact CB-CB 4.45Å; L332-M385 HydrophobicContact CD1-CB 3.75Å; L332-M385 HydrophobicContact CD1-CE 4.46Å
333	W	97.6	Very high	90.5	Very high	32 Å²	32	56.5 Å²	56.5	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	153.3	180	-65.9	-8.4	0	0	0	111.3	T362 M364 E372 V373 V383 M385 F386 Y387	W333-T362 CarbonylContact C-O 3.32Å; W333-T362 VanDerWaalsContact CA-O 3.3Å; W333-T362 WeakPolarHBondContact CA-O 3.29Å; W333-M364 HydrophobicContact CB-CE 3.77Å; W333-M364 HydrophobicContact CD2-CE 4.3Å; W333-M364 HydrophobicContact CD2-SD 4.12Å; W333-M364 HydrophobicContact CE3-CE 4.02Å; W333-M364 HydrophobicContact CE3-SD 3.93Å; W333-M364 HydrophobicContact CG-CE 4.26Å; W333-M364 HydrophobicContact CG-SD 4.4Å; W333-M364 HydrophobicContact CZ3-SD 4.46Å; W333-E372 HydrophobicContact CH2-CB 4.33Å; W333-E372 HydrophobicContact CZ3-CB 4.01Å; W333-V373 HydrophobicContact CE3-CG2 4.12Å; W333-V373 HydrophobicContact CZ3-CG2 4.45Å; W333-V383 HydrophobicContact CE3-CG2 3.91Å; W333-V383 HydrophobicContact CZ3-CB 4.4Å; W333-V383 HydrophobicContact CZ3-CG2 3.69Å; W333-M385 PolarHBondContact N-O 2.74Å; W333-F386 HydrophobicContact CB-CD2 3.87Å; W333-F386 CarbonylContact O-C 3.51Å; W333-F386 WeakPolarHBondContact O-CA 3.4Å; W333-F386 WeakPolarHBondContact O-CD2 3.41Å; W333-Y387 PolarHBondContact O-N 3.31Å
334	S	95.1	Very high	90.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	165.5	162.8	78.3	0	0	0	0	110.4	L345 T362 A363 M364	S334-L345 VanDerWaalsContact OG-CD1 3.25Å; S334-L345 WeakPolarHBondContact OG-CD1 3.49Å; S334-T362 PolarHBondContact N-O 3.27Å; S334-A363 WeakPolarHBondContact O-CA 3.28Å; S334-M364 PolarHBondContact O-N 3.33Å
335	S	86.6	Confident	90.3	Very high	32 Å²	32	51 Å²	51	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.4	159.3	-49	0	0	0	0	109.9	M364 R369	S335-M364 CarbonylContact C-O 3.21Å; S335-R369 WeakPolarHBondContact OG-CD 3.42Å; S335-R369 PolarHBondContact OG-NE 3.32Å; S335-R369 VanDerWaalsContact OG-NE 3.15Å
336	H	77.6	Confident	90.2	Very high	105 Å²	105	52 Å²	52	49%	0.486	28%	0.277	S	S	.	.			trans	-66.2	130	166.4	-176.9	82.7	0	0	0	109.2	H338 A363 M364	H336-H338 AromaticContact NE2-CE1 3.48Å; H336-H338 PolarHBondContact NE2-CE1 3.09Å; H336-H338 AromaticContact NE2-NE2 3.96Å; H336-A363 HydrophobicContact CB-CB 4.47Å; H336-M364 VanDerWaalsContact CB-O 3.22Å; H336-M364 WeakPolarHBondContact CB-O 3.41Å; H336-M364 PolarHBondContact N-O 2.79Å
337	N	73.1	Confident	90.2	Very high	51 Å²	51	45.7 Å²	45.7	27%	0.273	24%	0.243	S	C	.	.			trans	-152.1	163.5	167.4	68	47.1	0	0	0	110.9	S339 A341	N337-S339 VanDerWaalsContact C-N 3.28Å; N337-S339 PolarHBondContact O-N 2.89Å; N337-S339 WeakPolarHBondContact OD1-CA 3.49Å; N337-S339 WeakPolarHBondContact OD1-CB 3.4Å; N337-S339 PolarHBondContact OD1-N 3.36Å; N337-A341 WeakPolarHBondContact ND2-CB 3.27Å; N337-A341 WeakPolarHBondContact OD1-CB 3.34Å
338	H	63.5	Low	90.3	Very high	142 Å²	142	45 Å²	45	66%	0.657	24%	0.236	S	C	*	.	S	Bend	trans	-94	26.8	176.9	-57.6	-62.9	0	0	0	112.6	N207 H336	N207-H338 PolarHBondContact ND2-O 2.81Å; H336-H338 AromaticContact NE2-CE1 3.48Å; H336-H338 PolarHBondContact NE2-CE1 3.09Å; H336-H338 AromaticContact NE2-NE2 3.96Å
339	S	71.3	Confident	90.2	Very high	73 Å²	73	47.3 Å²	47.3	51%	0.51	25%	0.247	S	C	.	.	S	Bend	trans	-112.3	-142.5	-174.6	-51.3	0	0	0	0	110.4	N337 A341	N337-S339 VanDerWaalsContact C-N 3.28Å; N337-S339 PolarHBondContact O-N 2.89Å; N337-S339 WeakPolarHBondContact OD1-CA 3.49Å; N337-S339 WeakPolarHBondContact OD1-CB 3.4Å; N337-S339 PolarHBondContact OD1-N 3.36Å; S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3Å
340	T	84.2	Confident	90.2	Very high	15 Å²	15	48.6 Å²	48.6	9%	0.092	24%	0.243	C	C	.	.	S	Bend	trans	-75.9	-12	-175.1	56.1	0	0	0	0	113.6	Y227 A283 F284 Q342 K343 V344	Y227-T340 HydrophobicContact CD2-CG2 4.29Å; Y227-T340 HydrophobicContact CE2-CG2 3.42Å; Y227-T340 VanDerWaalsContact CE2-CG2 3.42Å; A283-T340 VanDerWaalsContact O-CG2 3.27Å; A283-T340 WeakPolarHBondContact O-CG2 3.3Å; F284-T340 HydrophobicContact CD1-CG2 4.03Å; F284-T340 HydrophobicContact CE1-CG2 4.11Å; T340-Q342 VanDerWaalsContact C-N 3.32Å; T340-Q342 PolarHBondContact O-N 3.09Å; T340-K343 PolarHBondContact O-N 2.85Å; T340-K343 VanDerWaalsContact O-N 3.08Å; T340-V344 WeakPolarHBondContact O-CG2 3.5Å; T340-V344 PolarHBondContact O-N 2.95Å
341	A	88.3	Confident	90.2	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-40.1	-168.2	0	0	0	0	0	113.4	N337 S339 K343 V344 L345 Y387	N337-A341 WeakPolarHBondContact ND2-CB 3.27Å; N337-A341 WeakPolarHBondContact OD1-CB 3.34Å; S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3Å; A341-K343 PolarHBondContact O-N 3.23Å; A341-V344 PolarHBondContact O-N 3.07Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 VanDerWaalsContact O-CG 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.49Å; A341-L345 PolarHBondContact O-N 2.61Å; A341-Y387 HydrophobicContact CB-CD1 4.35Å; A341-Y387 HydrophobicContact CB-CE1 3.64Å
342	Q	87.6	Confident	90.2	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-44.6	178.6	-171.3	-135	-23.9	0	0	111.5	T340 V344 L345 Q346	T340-Q342 VanDerWaalsContact C-N 3.32Å; T340-Q342 PolarHBondContact O-N 3.09Å; Q342-V344 VanDerWaalsContact C-N 3.34Å; Q342-L345 PolarHBondContact O-N 2.93Å; Q342-Q346 WeakPolarHBondContact O-CG 3.25Å; Q342-Q346 PolarHBondContact O-N 3.49Å
343	K	92.1	Very high	90.2	Very high	77 Å²	77	49.8 Å²	49.8	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176	-67.1	-177.1	-179.3	178.6	0	111	E228 A283 T340 A341 F347	E228-K343 IonicContact OE1-NZ 3.56Å; E228-K343 PolarHBondContact OE1-NZ 2.81Å; A283-K343 HydrophobicContact CB-CB 3.93Å; T340-K343 PolarHBondContact O-N 2.85Å; T340-K343 VanDerWaalsContact O-N 3.08Å; A341-K343 PolarHBondContact O-N 3.23Å; K343-F347 VanDerWaalsContact O-CB 3.26Å; K343-F347 WeakPolarHBondContact O-CB 3.44Å; K343-F347 PolarHBondContact O-N 3.39Å
344	V	96.5	Very high	90.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-50.3	175.4	177	0	0	0	0	110.8	L279 A283 F284 T340 A341 Q342 Q346 F347 T348 Y387 L461	L279-V344 HydrophobicContact CD1-CB 4.45Å; L279-V344 HydrophobicContact CD1-CG1 4.3Å; L279-V344 HydrophobicContact CD1-CG2 4.2Å; A283-V344 HydrophobicContact CB-CG2 3.66Å; F284-V344 HydrophobicContact CE2-CG2 3.79Å; F284-V344 HydrophobicContact CZ-CG2 3.78Å; T340-V344 WeakPolarHBondContact O-CG2 3.5Å; T340-V344 PolarHBondContact O-N 2.95Å; A341-V344 PolarHBondContact O-N 3.07Å; Q342-V344 VanDerWaalsContact C-N 3.34Å; V344-Q346 PolarHBondContact O-N 3.09Å; V344-F347 PolarHBondContact O-N 3Å; V344-T348 WeakPolarHBondContact O-CB 3.26Å; V344-T348 PolarHBondContact O-N 3.04Å; V344-T348 PolarHBondContact O-OG1 2.83Å; V344-T348 VanDerWaalsContact O-OG1 3.1Å; V344-Y387 HydrophobicContact CB-CE1 4.08Å; V344-Y387 HydrophobicContact CB-CE2 4.49Å; V344-Y387 HydrophobicContact CG1-CD1 4.3Å; V344-Y387 HydrophobicContact CG1-CD2 4.02Å; V344-Y387 HydrophobicContact CG1-CE1 4.06Å; V344-Y387 HydrophobicContact CG1-CE2 3.75Å; V344-Y387 HydrophobicContact CG1-CG 4.3Å; V344-Y387 HydrophobicContact CG2-CE1 4.49Å; V344-L461 HydrophobicContact CG1-CD1 4Å
345	L	96.2	Very high	90.4	Very high	9 Å²	9	54 Å²	54	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-46.1	-178.6	-74.7	174.8	0	0	0	112.4	L332 S334 A341 Q342 T348 Q349 V361 Y387	L332-L345 HydrophobicContact CD1-CD2 4.44Å; L332-L345 HydrophobicContact CD2-CD2 3.74Å; L332-L345 HydrophobicContact CG-CD2 3.73Å; S334-L345 VanDerWaalsContact OG-CD1 3.25Å; S334-L345 WeakPolarHBondContact OG-CD1 3.49Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 VanDerWaalsContact O-CG 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.49Å; A341-L345 PolarHBondContact O-N 2.61Å; Q342-L345 PolarHBondContact O-N 2.93Å; L345-T348 PolarHBondContact O-N 2.87Å; L345-Q349 VanDerWaalsContact O-CB 3.27Å; L345-Q349 WeakPolarHBondContact O-CB 3.46Å; L345-Q349 PolarHBondContact O-N 3.11Å; L345-V361 HydrophobicContact CB-CG1 3.93Å; L345-V361 HydrophobicContact CD1-CG1 3.6Å; L345-V361 HydrophobicContact CD2-CG1 4.11Å; L345-V361 HydrophobicContact CG-CG1 4.1Å; L345-Y387 HydrophobicContact CD2-CD1 4.25Å; L345-Y387 HydrophobicContact CG-CD1 4.36Å
346	Q	95.8	Very high	91	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-46.4	177.6	-71.7	178.9	-17.4	0	0	111.7	Q342 V344 Q349 Q350	Q342-Q346 WeakPolarHBondContact O-CG 3.25Å; Q342-Q346 PolarHBondContact O-N 3.49Å; V344-Q346 PolarHBondContact O-N 3.09Å; Q346-Q349 PolarHBondContact O-N 2.95Å; Q346-Q350 WeakPolarHBondContact O-CB 3.17Å; Q346-Q350 PolarHBondContact O-N 3.36Å
347	F	98.1	Very high	92	Very high	14 Å²	14	48.8 Å²	48.8	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-47.5	177.2	-178.4	-87.3	0	0	0	111.4	I274 N275 A278 L279 V282 K343 V344 Q350 Q351	I274-F347 HydrophobicContact CG2-CE1 4.49Å; N275-F347 HydrophobicContact CB-CZ 4.38Å; A278-F347 HydrophobicContact CB-CE2 4.07Å; A278-F347 HydrophobicContact CB-CZ 3.82Å; L279-F347 HydrophobicContact CB-CD1 3.95Å; L279-F347 HydrophobicContact CB-CE1 3.64Å; L279-F347 HydrophobicContact CB-CZ 4.17Å; L279-F347 HydrophobicContact CD1-CB 4.21Å; L279-F347 HydrophobicContact CD1-CD1 3.63Å; L279-F347 HydrophobicContact CD1-CE1 4.24Å; L279-F347 HydrophobicContact CD1-CG 4Å; L279-F347 HydrophobicContact CG-CD1 4.31Å; L279-F347 HydrophobicContact CG-CE1 4.47Å; V282-F347 HydrophobicContact CB-CD2 4.15Å; V282-F347 HydrophobicContact CG1-CD2 4.1Å; V282-F347 HydrophobicContact CG2-CD2 4.19Å; V282-F347 HydrophobicContact CG2-CE2 4.19Å; K343-F347 VanDerWaalsContact O-CB 3.26Å; K343-F347 WeakPolarHBondContact O-CB 3.44Å; K343-F347 PolarHBondContact O-N 3.39Å; V344-F347 PolarHBondContact O-N 3Å; F347-Q350 PolarHBondContact O-N 3.11Å; F347-Q351 HydrophobicContact CD1-CG 3.9Å; F347-Q351 HydrophobicContact CE1-CG 3.49Å; F347-Q351 VanDerWaalsContact CE1-CG 3.49Å; F347-Q351 HydrophobicContact CZ-CG 3.86Å; F347-Q351 VanDerWaalsContact O-CG 3.3Å; F347-Q351 WeakPolarHBondContact O-CG 3.43Å; F347-Q351 PolarHBondContact O-N 2.88Å
348	T	98.5	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-46.8	178	-66.8	0	0	0	0	111.3	I252 I274 L332 V344 L345 Q350 Q351 L352	I252-T348 HydrophobicContact CD1-CG2 3.58Å; I274-T348 HydrophobicContact CD1-CG2 4.26Å; L332-T348 HydrophobicContact CD2-CG2 3.74Å; V344-T348 WeakPolarHBondContact O-CB 3.26Å; V344-T348 PolarHBondContact O-N 3.04Å; V344-T348 PolarHBondContact O-OG1 2.83Å; V344-T348 VanDerWaalsContact O-OG1 3.1Å; L345-T348 PolarHBondContact O-N 2.87Å; T348-Q350 VanDerWaalsContact C-N 3.27Å; T348-Q350 PolarHBondContact O-N 2.97Å; T348-Q351 PolarHBondContact O-N 3.42Å; T348-L352 HydrophobicContact CG2-CD1 3.8Å; T348-L352 HydrophobicContact CG2-CG 4.16Å; T348-L352 WeakPolarHBondContact O-CB 3.37Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.33Å; T348-L352 PolarHBondContact O-N 2.83Å
349	Q	98.1	Very high	94.9	Very high	74 Å²	74	47.3 Å²	47.3	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-42.8	177.1	-175.3	-174.5	53.5	0	0	111.1	L345 Q346 L352 A353 A359 V361	L345-Q349 VanDerWaalsContact O-CB 3.27Å; L345-Q349 WeakPolarHBondContact O-CB 3.46Å; L345-Q349 PolarHBondContact O-N 3.11Å; Q346-Q349 PolarHBondContact O-N 2.95Å; Q349-L352 PolarHBondContact O-N 2.88Å; Q349-A353 WeakPolarHBondContact O-CB 3.48Å; Q349-A353 PolarHBondContact O-N 2.88Å; Q349-A359 PolarHBondContact NE2-O 3.4Å; Q349-V361 HydrophobicContact CB-CG2 4.07Å; Q349-V361 HydrophobicContact CG-CG2 4.25Å
350	Q	98.6	Very high	96.2	Very high	119 Å²	119	49.7 Å²	49.7	56%	0.556	25%	0.249	S	C	*	.	H	α-helix	trans	-62.4	-47	176.7	-173.9	-177.5	30	0	0	111.9	Q346 F347 T348 A353 Q354	Q346-Q350 WeakPolarHBondContact O-CB 3.17Å; Q346-Q350 PolarHBondContact O-N 3.36Å; F347-Q350 PolarHBondContact O-N 3.11Å; T348-Q350 VanDerWaalsContact C-N 3.27Å; T348-Q350 PolarHBondContact O-N 2.97Å; Q350-A353 PolarHBondContact O-N 3.02Å; Q350-Q354 WeakPolarHBondContact O-CG 3.28Å; Q350-Q354 PolarHBondContact O-N 3.45Å
351	Q	98.7	Very high	96.8	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-41.7	178.4	-71.5	-72.9	124.2	0	0	112.2	A273 I274 F347 T348 A353 Q354	A273-Q351 PolarHBondContact O-NE2 3.19Å; I274-Q351 HydrophobicContact CD1-CB 3.77Å; I274-Q351 HydrophobicContact CD1-CG 4.49Å; F347-Q351 HydrophobicContact CD1-CG 3.9Å; F347-Q351 HydrophobicContact CE1-CG 3.49Å; F347-Q351 VanDerWaalsContact CE1-CG 3.49Å; F347-Q351 HydrophobicContact CZ-CG 3.86Å; F347-Q351 VanDerWaalsContact O-CG 3.3Å; F347-Q351 WeakPolarHBondContact O-CG 3.43Å; F347-Q351 PolarHBondContact O-N 2.88Å; T348-Q351 PolarHBondContact O-N 3.42Å; Q351-A353 VanDerWaalsContact C-N 3.35Å; Q351-Q354 WeakPolarHBondContact O-CB 3.32Å; Q351-Q354 PolarHBondContact O-N 3.48Å
352	L	98.8	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-39	176.2	-72.4	179.1	0	0	0	111.7	L270 I274 T348 Q349 Q354 V355 G356 I357 A359 M385	L270-L352 HydrophobicContact CD1-CD2 4.47Å; L270-L352 HydrophobicContact CD2-CD2 3.89Å; I274-L352 HydrophobicContact CD1-CD2 4.38Å; I274-L352 HydrophobicContact CD1-CG 4.47Å; T348-L352 HydrophobicContact CG2-CD1 3.8Å; T348-L352 HydrophobicContact CG2-CG 4.16Å; T348-L352 WeakPolarHBondContact O-CB 3.37Å; T348-L352 VanDerWaalsContact O-CG 3.25Å; T348-L352 WeakPolarHBondContact O-CG 3.33Å; T348-L352 PolarHBondContact O-N 2.83Å; Q349-L352 PolarHBondContact O-N 2.88Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3Å; L352-V355 WeakPolarHBondContact O-CG2 3.25Å; L352-V355 PolarHBondContact O-N 3.35Å; L352-V355 VanDerWaalsContact O-N 3.12Å; L352-G356 PolarHBondContact O-N 3.48Å; L352-I357 CarbonylContact C-O 3.24Å; L352-I357 HydrophobicContact CB-CB 4.03Å; L352-I357 HydrophobicContact CB-CG2 4.29Å; L352-I357 PolarHBondContact O-N 3.08Å; L352-A359 HydrophobicContact CD1-CB 4.03Å; L352-M385 HydrophobicContact CD1-CE 3.84Å; L352-M385 HydrophobicContact CD1-SD 4.3Å
353	A	98.7	Very high	97.4	Very high	57 Å²	57	50 Å²	50	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-34.2	176.7	0	0	0	0	0	112.7	Q349 Q350 Q351 V355 G356 I357	Q349-A353 WeakPolarHBondContact O-CB 3.48Å; Q349-A353 PolarHBondContact O-N 2.88Å; Q350-A353 PolarHBondContact O-N 3.02Å; Q351-A353 VanDerWaalsContact C-N 3.35Å; A353-V355 PolarHBondContact O-N 3.23Å; A353-V355 VanDerWaalsContact O-N 3.16Å; A353-G356 PolarHBondContact O-N 2.88Å; A353-I357 WeakPolarHBondContact CA-O 3.19Å; A353-I357 PolarHBondContact N-O 2.9Å
354	Q	98.5	Very high	97.3	Very high	116 Å²	116	46.7 Å²	46.7	54%	0.542	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.6	177.3	-63.4	-60.8	-40.4	0	0	113.9	R316 Q350 Q351 L352	R316-Q354 PolarHBondContact NH1-O 3.21Å; Q350-Q354 WeakPolarHBondContact O-CG 3.28Å; Q350-Q354 PolarHBondContact O-N 3.45Å; Q351-Q354 WeakPolarHBondContact O-CB 3.32Å; Q351-Q354 PolarHBondContact O-N 3.48Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3Å
355	V	98.7	Very high	96.9	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	14.6	176.6	-59.8	0	0	0	0	112.2	A273 P312 A315 R316 L319 L352 A353 I357	A273-V355 HydrophobicContact CB-CG1 4.08Å; A273-V355 HydrophobicContact CB-CG2 3.83Å; P312-V355 HydrophobicContact CB-CG1 4.06Å; A315-V355 HydrophobicContact CB-CB 4.43Å; A315-V355 HydrophobicContact CB-CG1 3.79Å; R316-V355 HydrophobicContact CG-CB 4.02Å; R316-V355 HydrophobicContact CG-CG1 4.15Å; L319-V355 HydrophobicContact CD1-CB 4.18Å; L319-V355 HydrophobicContact CD1-CG2 4.3Å; L319-V355 VanDerWaalsContact CD1-O 3.3Å; L319-V355 WeakPolarHBondContact CD1-O 3.16Å; L352-V355 WeakPolarHBondContact O-CG2 3.25Å; L352-V355 PolarHBondContact O-N 3.35Å; L352-V355 VanDerWaalsContact O-N 3.12Å; A353-V355 PolarHBondContact O-N 3.23Å; A353-V355 VanDerWaalsContact O-N 3.16Å; V355-I357 HydrophobicContact CG2-CG1 4.08Å
356	G	98.5	Very high	96	Very high	28 Å²	28	54.3 Å²	54.3	29%	0.289	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	6.9	175.6	0	0	0	0	0	115	G327 F328 L352 A353	G327-G356 WeakPolarHBondContact CA-O 3.48Å; F328-G356 PolarHBondContact N-O 3.03Å; L352-G356 PolarHBondContact O-N 3.48Å; A353-G356 PolarHBondContact O-N 2.88Å
357	I	98.8	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.2	-178.6	-54.5	-52.2	0	0	0	110.7	L270 L319 F328 T330 L352 A353 V355 A359	L270-I357 HydrophobicContact CD2-CG1 3.93Å; L319-I357 HydrophobicContact CD1-CD1 4Å; L319-I357 HydrophobicContact CD1-CG1 4.22Å; L319-I357 HydrophobicContact CD2-CD1 4.26Å; F328-I357 HydrophobicContact CD1-CD1 3.45Å; F328-I357 VanDerWaalsContact CD1-CD1 3.45Å; F328-I357 HydrophobicContact CD2-CD1 4.05Å; F328-I357 HydrophobicContact CD2-CG2 4.39Å; F328-I357 HydrophobicContact CE1-CD1 3.28Å; F328-I357 HydrophobicContact CE1-CG1 4.43Å; F328-I357 HydrophobicContact CE2-CD1 3.89Å; F328-I357 HydrophobicContact CE2-CG2 3.98Å; F328-I357 HydrophobicContact CG-CD1 3.83Å; F328-I357 HydrophobicContact CZ-CD1 3.5Å; F328-I357 VanDerWaalsContact CZ-CD1 3.5Å; F328-I357 HydrophobicContact CZ-CG1 4.29Å; F328-I357 HydrophobicContact CZ-CG2 4.4Å; F328-I357 WeakPolarHBondContact O-CA 3.31Å; T330-I357 HydrophobicContact CG2-CG2 4.09Å; L352-I357 CarbonylContact C-O 3.24Å; L352-I357 HydrophobicContact CB-CB 4.03Å; L352-I357 HydrophobicContact CB-CG2 4.29Å; L352-I357 PolarHBondContact O-N 3.08Å; A353-I357 WeakPolarHBondContact CA-O 3.19Å; A353-I357 PolarHBondContact N-O 2.9Å; V355-I357 HydrophobicContact CG2-CG1 4.08Å; I357-A359 PolarHBondContact O-N 2.93Å
358	K	98.8	Very high	95	Very high	156 Å²	156	55.2 Å²	55.2	68%	0.678	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	92.2	178.4	-62.8	178.6	-176	178.6	0	109.8	F328 S329 T330	F328-K358 PolarHBondContact O-N 3.33Å; S329-K358 VanDerWaalsContact CA-O 3.3Å; S329-K358 WeakPolarHBondContact CA-O 3.42Å; T330-K358 PolarHBondContact N-O 3.09Å
359	A	98.6	Very high	94.7	Very high	6 Å²	6	58 Å²	58	5%	0.05	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.8	178.2	0	0	0	0	0	111.5	T330 L332 Q349 L352 I357 V361	T330-A359 HydrophobicContact CG2-CB 4.17Å; T330-A359 CarbonylContact O-C 3.58Å; T330-A359 WeakPolarHBondContact O-CA 3.27Å; L332-A359 HydrophobicContact CB-CB 4.13Å; Q349-A359 PolarHBondContact NE2-O 3.4Å; L352-A359 HydrophobicContact CD1-CB 4.03Å; I357-A359 PolarHBondContact O-N 2.93Å; A359-V361 PolarHBondContact O-N 3.34Å
360	Q	98.2	Very high	94.2	Very high	124 Å²	124	56.7 Å²	56.7	58%	0.579	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	112.8	169.2	179	57.9	56	0	0	109.4	T330 T331 L332	T330-Q360 PolarHBondContact O-N 3.2Å; T331-Q360 CarbonylContact C-O 3.58Å; T331-Q360 WeakPolarHBondContact CA-O 3.38Å; T331-Q360 HydrophobicContact CG2-CB 4.44Å; L332-Q360 PolarHBondContact N-O 2.75Å
361	V	97.1	Very high	93.9	Very high	36 Å²	36	53.4 Å²	53.4	22%	0.218	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.4	-178.6	174.3	0	0	0	0	110.6	L332 L345 Q349 A359	L332-V361 HydrophobicContact CB-CG2 4.43Å; L332-V361 HydrophobicContact CD2-CG2 4.37Å; L332-V361 VanDerWaalsContact O-CA 3.3Å; L332-V361 WeakPolarHBondContact O-CA 3.36Å; L345-V361 HydrophobicContact CB-CG1 3.93Å; L345-V361 HydrophobicContact CD1-CG1 3.6Å; L345-V361 HydrophobicContact CD2-CG1 4.11Å; L345-V361 HydrophobicContact CG-CG1 4.1Å; Q349-V361 HydrophobicContact CB-CG2 4.07Å; Q349-V361 HydrophobicContact CG-CG2 4.25Å; A359-V361 PolarHBondContact O-N 3.34Å
362	T	95.2	Very high	93.7	Very high	54 Å²	54	55.6 Å²	55.6	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.1	172.5	-50.2	0	0	0	0	110	L332 W333 S334 M364	L332-T362 PolarHBondContact O-N 2.75Å; W333-T362 CarbonylContact C-O 3.32Å; W333-T362 VanDerWaalsContact CA-O 3.3Å; W333-T362 WeakPolarHBondContact CA-O 3.29Å; S334-T362 PolarHBondContact N-O 3.27Å; T362-M364 HydrophobicContact CG2-CG 4.31Å
363	A	93	Very high	93.6	Very high	49 Å²	49	55.7 Å²	55.7	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.2	170.6	0	0	0	0	0	108.7	S334 H336	S334-A363 WeakPolarHBondContact O-CA 3.28Å; H336-A363 HydrophobicContact CB-CB 4.47Å
364	M	90.8	Very high	93.3	Very high	7 Å²	7	56 Å²	56	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.4	-174.3	-66.9	176.4	-62.4	0	0	111.3	W333 S334 S335 H336 T362 Q368 R369 E372 V373 F386	W333-M364 HydrophobicContact CB-CE 3.77Å; W333-M364 HydrophobicContact CD2-CE 4.3Å; W333-M364 HydrophobicContact CD2-SD 4.12Å; W333-M364 HydrophobicContact CE3-CE 4.02Å; W333-M364 HydrophobicContact CE3-SD 3.93Å; W333-M364 HydrophobicContact CG-CE 4.26Å; W333-M364 HydrophobicContact CG-SD 4.4Å; W333-M364 HydrophobicContact CZ3-SD 4.46Å; S334-M364 PolarHBondContact O-N 3.33Å; S335-M364 CarbonylContact C-O 3.21Å; H336-M364 VanDerWaalsContact CB-O 3.22Å; H336-M364 WeakPolarHBondContact CB-O 3.41Å; H336-M364 PolarHBondContact N-O 2.79Å; T362-M364 HydrophobicContact CG2-CG 4.31Å; M364-Q368 HydrophobicContact CB-CB 3.83Å; M364-Q368 HydrophobicContact CG-CB 4.19Å; M364-R369 HydrophobicContact CB-CB 4.42Å; M364-E372 HydrophobicContact SD-CB 4.25Å; M364-V373 HydrophobicContact CE-CG2 3.36Å; M364-V373 HydrophobicContact SD-CG2 4.16Å; M364-F386 HydrophobicContact CE-CD2 4.34Å; M364-F386 HydrophobicContact CE-CE2 3.84Å
365	D	86.4	Confident	93	Very high	82 Å²	82	52.5 Å²	52.5	44%	0.439	32%	0.323	S	S	.	.			trans	-64.9	173	165.6	68.4	53.6	0	0	0	111.7	G367 Q368 R369	D365-G367 VanDerWaalsContact C-N 3.3Å; D365-G367 PolarHBondContact O-N 2.84Å; D365-G367 WeakPolarHBondContact OD1-CA 3.1Å; D365-G367 PolarHBondContact OD1-N 3.39Å; D365-Q368 PolarHBondContact O-N 2.89Å; D365-Q368 PolarHBondContact OD1-N 3.25Å; D365-R369 WeakPolarHBondContact O-CB 3.26Å; D365-R369 PolarHBondContact O-N 3.23Å
366	A	78.7	Confident	92.8	Very high	86 Å²	86	54.7 Å²	54.7	71%	0.711	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-36.6	-177.2	0	0	0	0	0	113.1	A370	A366-A370 WeakPolarHBondContact O-CB 3.44Å; A366-A370 PolarHBondContact O-N 2.91Å
367	G	82.1	Confident	92.7	Very high	47 Å²	47	54.4 Å²	54.4	49%	0.485	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-45.3	179	0	0	0	0	0	111.6	D365 A370 A371	D365-G367 VanDerWaalsContact C-N 3.3Å; D365-G367 PolarHBondContact O-N 2.84Å; D365-G367 WeakPolarHBondContact OD1-CA 3.1Å; D365-G367 PolarHBondContact OD1-N 3.39Å; G367-A370 PolarHBondContact O-N 3.5Å; G367-A371 WeakPolarHBondContact O-CB 3.28Å; G367-A371 PolarHBondContact O-N 3.42Å
368	Q	90.7	Very high	92.6	Very high	93 Å²	93	57.6 Å²	57.6	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-43.9	174.1	-71.1	-178.4	-34.4	0	0	111.9	M364 D365 A370 A371 E372	M364-Q368 HydrophobicContact CB-CB 3.83Å; M364-Q368 HydrophobicContact CG-CB 4.19Å; D365-Q368 PolarHBondContact O-N 2.89Å; D365-Q368 PolarHBondContact OD1-N 3.25Å; Q368-A370 PolarHBondContact O-N 3.17Å; Q368-A371 PolarHBondContact O-N 3.49Å; Q368-E372 VanDerWaalsContact O-CB 3.27Å; Q368-E372 WeakPolarHBondContact O-CB 3.34Å; Q368-E372 WeakPolarHBondContact O-CG 3.26Å; Q368-E372 PolarHBondContact O-N 3.16Å
369	R	91.4	Very high	92.5	Very high	58 Å²	58	60 Å²	60	22%	0.219	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-47.4	176.3	-178.5	-168	178.3	-103	3.5	111.3	S335 M364 D365 A371 V373 E374	S335-R369 WeakPolarHBondContact OG-CD 3.42Å; S335-R369 PolarHBondContact OG-NE 3.32Å; S335-R369 VanDerWaalsContact OG-NE 3.15Å; M364-R369 HydrophobicContact CB-CB 4.42Å; D365-R369 WeakPolarHBondContact O-CB 3.26Å; D365-R369 PolarHBondContact O-N 3.23Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.46Å; R369-V373 HydrophobicContact CG-CB 4.45Å; R369-V373 HydrophobicContact CG-CG2 4.45Å; R369-V373 WeakPolarHBondContact O-CA 3.47Å; R369-V373 VanDerWaalsContact O-CB 3.29Å; R369-V373 WeakPolarHBondContact O-CB 3.37Å; R369-V373 PolarHBondContact O-N 2.79Å; R369-E374 IonicContact CZ-OE1 3.42Å; R369-E374 IonicContact CZ-OE2 2.76Å; R369-E374 IonicContact NE-OE1 3.24Å; R369-E374 IonicContact NH1-OE1 2.67Å; R369-E374 PolarHBondContact NH1-OE1 2.93Å; R369-E374 IonicContact NH1-OE2 2.94Å; R369-E374 PolarHBondContact NH1-OE2 2.73Å; R369-E374 IonicContact NH2-OE2 3.16Å; R369-E374 PolarHBondContact O-N 3.43Å
370	A	87.9	Confident	92.4	Very high	47 Å²	47	66.6 Å²	66.6	39%	0.388	38%	0.384	S	S	.	.	I	π-helix	trans	-60.9	-44	177.8	0	0	0	0	0	111.2	A366 G367 Q368 G375	A366-A370 WeakPolarHBondContact O-CB 3.44Å; A366-A370 PolarHBondContact O-N 2.91Å; G367-A370 PolarHBondContact O-N 3.5Å; Q368-A370 PolarHBondContact O-N 3.17Å; A370-G375 WeakPolarHBondContact O-CA 3.23Å; A370-G375 PolarHBondContact O-N 3.06Å
371	A	92	Very high	92.4	Very high	51 Å²	51	61.2 Å²	61.2	42%	0.421	36%	0.36	S	S	.	.	I	π-helix	trans	-73.1	-38.1	-177.8	0	0	0	0	0	114	G367 Q368 R369 K376	G367-A371 WeakPolarHBondContact O-CB 3.28Å; G367-A371 PolarHBondContact O-N 3.42Å; Q368-A371 PolarHBondContact O-N 3.49Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-A371 PolarHBondContact O-N 3.46Å; A371-K376 VanDerWaalsContact O-CE 3.25Å; A371-K376 WeakPolarHBondContact O-CE 3.49Å; A371-K376 WeakPolarHBondContact O-CG 3.38Å
372	E	95.7	Very high	92.3	Very high	66 Å²	66	61.1 Å²	61.1	31%	0.308	37%	0.366	S	S	.	.	I	π-helix	trans	-100.5	-26.8	-169.9	-65.7	-60.8	142.2	0	0	114.1	W333 M364 Q368 K376	W333-E372 HydrophobicContact CH2-CB 4.33Å; W333-E372 HydrophobicContact CZ3-CB 4.01Å; M364-E372 HydrophobicContact SD-CB 4.25Å; Q368-E372 VanDerWaalsContact O-CB 3.27Å; Q368-E372 WeakPolarHBondContact O-CB 3.34Å; Q368-E372 WeakPolarHBondContact O-CG 3.26Å; Q368-E372 PolarHBondContact O-N 3.16Å; E372-K376 IonicContact OE1-NZ 2.72Å; E372-K376 PolarHBondContact OE1-NZ 2.98Å; E372-K376 IonicContact OE2-NZ 2.69Å; E372-K376 PolarHBondContact OE2-NZ 3.25Å
373	V	95.7	Very high	92.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	35%	0.35	C	S	.	.	I	π-helix	trans	-107.3	-52.9	-177	-176	0	0	0	0	111.4	W333 M364 R369 V383 F386 P411 T417	W333-V373 HydrophobicContact CE3-CG2 4.12Å; W333-V373 HydrophobicContact CZ3-CG2 4.45Å; M364-V373 HydrophobicContact CE-CG2 3.36Å; M364-V373 HydrophobicContact SD-CG2 4.16Å; R369-V373 HydrophobicContact CG-CB 4.45Å; R369-V373 HydrophobicContact CG-CG2 4.45Å; R369-V373 WeakPolarHBondContact O-CA 3.47Å; R369-V373 VanDerWaalsContact O-CB 3.29Å; R369-V373 WeakPolarHBondContact O-CB 3.37Å; R369-V373 PolarHBondContact O-N 2.79Å; V373-V383 HydrophobicContact CB-CG2 4.3Å; V373-V383 HydrophobicContact CG1-CG2 4.21Å; V373-V383 HydrophobicContact CG2-CG2 4.07Å; V373-F386 HydrophobicContact CG1-CD1 4.13Å; V373-F386 HydrophobicContact CG1-CE1 3.82Å; V373-F386 HydrophobicContact CG1-CZ 4.08Å; V373-F386 HydrophobicContact CG2-CD2 4.49Å; V373-F386 HydrophobicContact CG2-CE2 4.17Å; V373-F386 HydrophobicContact CG2-CZ 4.32Å; V373-P411 VanDerWaalsContact O-CB 3.31Å; V373-P411 WeakPolarHBondContact O-CB 3.43Å; V373-P411 WeakPolarHBondContact O-CG 3.44Å; V373-T417 HydrophobicContact CG1-CG2 3.62Å
374	E	91.9	Very high	92.7	Very high	63 Å²	63	58.5 Å²	58.5	29%	0.294	34%	0.34	S	S	.	.	I	π-helix	trans	-88.6	-29.3	-171.1	-65.8	164.8	-83.8	0	0	112.4	R369 P412 F415	R369-E374 IonicContact CZ-OE1 3.42Å; R369-E374 IonicContact CZ-OE2 2.76Å; R369-E374 IonicContact NE-OE1 3.24Å; R369-E374 IonicContact NH1-OE1 2.67Å; R369-E374 PolarHBondContact NH1-OE1 2.93Å; R369-E374 IonicContact NH1-OE2 2.94Å; R369-E374 PolarHBondContact NH1-OE2 2.73Å; R369-E374 IonicContact NH2-OE2 3.16Å; R369-E374 PolarHBondContact O-N 3.43Å; E374-P412 WeakPolarHBondContact O-CA 3.46Å; E374-P412 VanDerWaalsContact O-CB 3.32Å; E374-P412 WeakPolarHBondContact O-CB 3.18Å; E374-F415 HydrophobicContact CG-CD2 4.14Å; E374-F415 HydrophobicContact CG-CE2 3.8Å
375	G	92	Very high	93.1	Very high	44 Å²	44	58.1 Å²	58.1	45%	0.454	34%	0.338	S	S	.	.	S	Bend	trans	-91.6	-3.9	-173.6	0	0	0	0	0	115.3	A370	A370-G375 WeakPolarHBondContact O-CA 3.23Å; A370-G375 PolarHBondContact O-N 3.06Å
376	K	94.7	Very high	93.7	Very high	51 Å²	51	54.2 Å²	54.2	22%	0.222	32%	0.317	C	S	.	.			trans	-115.8	127.1	-171.8	-74.4	-177.8	-174.5	-178.7	0	113.2	A371 E372 E380 P411	A371-K376 VanDerWaalsContact O-CE 3.25Å; A371-K376 WeakPolarHBondContact O-CE 3.49Å; A371-K376 WeakPolarHBondContact O-CG 3.38Å; E372-K376 IonicContact OE1-NZ 2.72Å; E372-K376 PolarHBondContact OE1-NZ 2.98Å; E372-K376 IonicContact OE2-NZ 2.69Å; E372-K376 PolarHBondContact OE2-NZ 3.25Å; K376-E380 HydrophobicContact CB-CB 4.47Å; K376-P411 WeakPolarHBondContact O-CB 3.45Å
377	G	96.6	Very high	94.6	Very high	22 Å²	22	50.4 Å²	50.4	23%	0.227	28%	0.284	C	S	.	.			trans	-69.1	167	172.2	0	0	0	0	0	113.5	K379 E380 S381 P411	G377-K379 VanDerWaalsContact C-N 3.25Å; G377-K379 PolarHBondContact O-N 3.03Å; G377-K379 VanDerWaalsContact O-N 3.08Å; G377-E380 PolarHBondContact O-N 2.86Å; G377-S381 WeakPolarHBondContact O-CB 3.48Å; G377-S381 PolarHBondContact O-N 2.79Å; G377-P411 WeakPolarHBondContact CA-O 3.28Å
378	Q	97.2	Very high	95.2	Very high	66 Å²	66	48.7 Å²	48.7	31%	0.308	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-40.8	-175.4	-170.9	-160.4	11.3	0	0	114.4	T257 E380 W410 F419	T257-Q378 VanDerWaalsContact CG2-NE2 3.26Å; T257-Q378 PolarHBondContact OG1-NE2 3.42Å; T257-Q378 VanDerWaalsContact OG1-NE2 3.15Å; Q378-E380 VanDerWaalsContact C-N 3.3Å; Q378-E380 PolarHBondContact O-N 3.13Å; Q378-W410 HydrophobicContact CB-CE3 4.05Å; Q378-W410 HydrophobicContact CB-CZ3 4.1Å; Q378-W410 VanDerWaalsContact CD-CZ3 3.43Å; Q378-W410 HydrophobicContact CG-CE3 4.35Å; Q378-W410 HydrophobicContact CG-CZ3 4.02Å; Q378-W410 VanDerWaalsContact OE1-CZ3 3.23Å; Q378-F419 VanDerWaalsContact CA-CE1 3.47Å; Q378-F419 HydrophobicContact CB-CD1 3.76Å; Q378-F419 HydrophobicContact CB-CE1 3.87Å; Q378-F419 HydrophobicContact CG-CD1 3.91Å; Q378-F419 HydrophobicContact CG-CE1 4.4Å; Q378-F419 HydrophobicContact CG-CG 4.35Å
379	K	96.4	Very high	95.2	Very high	206 Å²	206	44.9 Å²	44.9	90%	0.896	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.1	-175.9	-64.4	-179	-178.4	176.7	0	113.7	G377	G377-K379 VanDerWaalsContact C-N 3.25Å; G377-K379 PolarHBondContact O-N 3.03Å; G377-K379 VanDerWaalsContact O-N 3.08Å
380	E	97	Very high	95.2	Very high	145 Å²	145	44.4 Å²	44.4	68%	0.678	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-20.5	-174.2	-63.2	174	-176.6	0	0	112.5	K376 G377 Q378 G382	K376-E380 HydrophobicContact CB-CB 4.47Å; G377-E380 PolarHBondContact O-N 2.86Å; Q378-E380 VanDerWaalsContact C-N 3.3Å; Q378-E380 PolarHBondContact O-N 3.13Å; E380-G382 PolarHBondContact O-N 2.9Å
381	S	97	Very high	95.4	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.084	24%	0.237	C	C	.	.			trans	-65.4	128	-173.1	-173.1	0	0	0	0	112.2	G377 V383	G377-S381 WeakPolarHBondContact O-CB 3.48Å; G377-S381 PolarHBondContact O-N 2.79Å; S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 WeakPolarHBondContact OG-CB 3.37Å; S381-V383 VanDerWaalsContact OG-CG2 3.32Å; S381-V383 WeakPolarHBondContact OG-CG2 3.44Å; S381-V383 PolarHBondContact OG-N 2.87Å
382	G	96.9	Very high	95.3	Very high	33 Å²	33	40.9 Å²	40.9	34%	0.34	22%	0.218	S	C	.	.			trans	-83.2	-1	170	0	0	0	0	0	113.9	E380 R384	E380-G382 PolarHBondContact O-N 2.9Å; G382-R384 PolarHBondContact O-N 2.84Å
383	V	98.1	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.207	C	C	.	.			trans	-63.3	123.7	-175.9	176	0	0	0	0	110.1	N255 W333 V373 S381 F386 F419	N255-V383 WeakPolarHBondContact CB-O 3.4Å; N255-V383 PolarHBondContact ND2-O 3.47Å; W333-V383 HydrophobicContact CE3-CG2 3.91Å; W333-V383 HydrophobicContact CZ3-CB 4.4Å; W333-V383 HydrophobicContact CZ3-CG2 3.69Å; V373-V383 HydrophobicContact CB-CG2 4.3Å; V373-V383 HydrophobicContact CG1-CG2 4.21Å; V373-V383 HydrophobicContact CG2-CG2 4.07Å; S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 WeakPolarHBondContact OG-CB 3.37Å; S381-V383 VanDerWaalsContact OG-CG2 3.32Å; S381-V383 WeakPolarHBondContact OG-CG2 3.44Å; S381-V383 PolarHBondContact OG-N 2.87Å; V383-F386 HydrophobicContact CG1-CB 4.05Å; V383-F419 HydrophobicContact CB-CE2 4.49Å
384	R	98.6	Very high	94.4	Very high	47 Å²	47	38.4 Å²	38.4	18%	0.177	21%	0.208	C	C	.	.	S	Bend	trans	-112.9	-69.4	176.8	-61.9	-47.7	-44.8	-121.9	-10.2	111.9	N255 Q258 K259 F261 T330 T331 G382	N255-R384 PolarHBondContact N-O 2.97Å; Q258-R384 PolarHBondContact O-NH2 3.22Å; K259-R384 VanDerWaalsContact O-CZ 3.24Å; K259-R384 PolarHBondContact O-NH1 3.33Å; K259-R384 PolarHBondContact O-NH2 2.7Å; F261-R384 HydrophobicContact CE2-CB 4.06Å; F261-R384 VanDerWaalsContact CE2-NH2 3.32Å; T330-R384 WeakPolarHBondContact OG1-CB 3.35Å; T331-R384 WeakPolarHBondContact OG1-CB 3.13Å; T331-R384 WeakPolarHBondContact OG1-CG 3.04Å; G382-R384 PolarHBondContact O-N 2.84Å
385	M	98.9	Very high	94.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	166	-58.5	176	62.2	0	0	108.4	I252 S253 M254 F261 L270 T330 T331 L332 W333 L352 I459	I252-M385 HydrophobicContact CG2-CB 3.89Å; I252-M385 HydrophobicContact CG2-CE 3.74Å; S253-M385 CarbonylContact O-C 3.22Å; S253-M385 VanDerWaalsContact O-CA 3.26Å; S253-M385 WeakPolarHBondContact O-CA 3.33Å; M254-M385 HydrophobicContact CG-CG 4.41Å; F261-M385 HydrophobicContact CE1-CG 4.02Å; F261-M385 HydrophobicContact CE1-SD 4.16Å; F261-M385 HydrophobicContact CE2-CG 3.92Å; F261-M385 HydrophobicContact CZ-CG 3.39Å; F261-M385 HydrophobicContact CZ-SD 3.8Å; L270-M385 HydrophobicContact CD1-CE 4.27Å; L270-M385 HydrophobicContact CD1-SD 4.37Å; T330-M385 HydrophobicContact CG2-CG 4.45Å; T330-M385 HydrophobicContact CG2-SD 3.68Å; T331-M385 WeakPolarHBondContact O-CB 3.19Å; T331-M385 PolarHBondContact O-N 3.11Å; L332-M385 WeakPolarHBondContact CA-O 3.31Å; L332-M385 HydrophobicContact CB-CB 4.45Å; L332-M385 HydrophobicContact CD1-CB 3.75Å; L332-M385 HydrophobicContact CD1-CE 4.46Å; W333-M385 PolarHBondContact N-O 2.74Å; L352-M385 HydrophobicContact CD1-CE 3.84Å; L352-M385 HydrophobicContact CD1-SD 4.3Å; M385-I459 HydrophobicContact CE-CD1 4.15Å
386	F	98.3	Very high	94.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	111.3	-179.8	-178.7	-126.2	0	0	0	111.3	I252 S253 W333 M364 V373 V383 T388 F415 T417	I252-F386 CarbonylContact C-O 3.53Å; I252-F386 VanDerWaalsContact CA-O 3.28Å; I252-F386 WeakPolarHBondContact CA-O 3.39Å; S253-F386 PolarHBondContact N-O 2.87Å; S253-F386 PolarHBondContact O-N 3.32Å; S253-F386 PolarHBondContact OG-O 2.68Å; W333-F386 HydrophobicContact CB-CD2 3.87Å; W333-F386 CarbonylContact O-C 3.51Å; W333-F386 WeakPolarHBondContact O-CA 3.4Å; W333-F386 WeakPolarHBondContact O-CD2 3.41Å; M364-F386 HydrophobicContact CE-CD2 4.34Å; M364-F386 HydrophobicContact CE-CE2 3.84Å; V373-F386 HydrophobicContact CG1-CD1 4.13Å; V373-F386 HydrophobicContact CG1-CE1 3.82Å; V373-F386 HydrophobicContact CG1-CZ 4.08Å; V373-F386 HydrophobicContact CG2-CD2 4.49Å; V373-F386 HydrophobicContact CG2-CE2 4.17Å; V373-F386 HydrophobicContact CG2-CZ 4.32Å; V383-F386 HydrophobicContact CG1-CB 4.05Å; F386-T388 HydrophobicContact CD1-CG2 3.89Å; F386-T388 HydrophobicContact CE1-CG2 3.82Å; F386-F415 HydrophobicContact CE1-CE1 4.37Å; F386-F415 AromaticContact CE1-CZ 3.79Å; F386-F415 HydrophobicContact CE1-CZ 3.79Å; F386-F415 HydrophobicContact CZ-CZ 4.48Å; F386-T417 HydrophobicContact CD1-CG2 3.94Å; F386-T417 HydrophobicContact CE1-CG2 4.15Å
387	Y	97.9	Very high	94.3	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.8	171.5	169.4	-120.8	0	0	0	109.9	R250 Y251 I252 W333 A341 V344 L345 L461	R250-Y387 HydrophobicContact CB-CE2 4.33Å; Y251-Y387 WeakPolarHBondContact O-CA 3.22Å; Y251-Y387 WeakPolarHBondContact O-CD2 3.35Å; I252-Y387 HydrophobicContact CG1-CD2 4.2Å; W333-Y387 PolarHBondContact O-N 3.31Å; A341-Y387 HydrophobicContact CB-CD1 4.35Å; A341-Y387 HydrophobicContact CB-CE1 3.64Å; V344-Y387 HydrophobicContact CB-CE1 4.08Å; V344-Y387 HydrophobicContact CB-CE2 4.49Å; V344-Y387 HydrophobicContact CG1-CD1 4.3Å; V344-Y387 HydrophobicContact CG1-CD2 4.02Å; V344-Y387 HydrophobicContact CG1-CE1 4.06Å; V344-Y387 HydrophobicContact CG1-CE2 3.75Å; V344-Y387 HydrophobicContact CG1-CG 4.3Å; V344-Y387 HydrophobicContact CG2-CE1 4.49Å; L345-Y387 HydrophobicContact CD2-CD1 4.25Å; L345-Y387 HydrophobicContact CG-CD1 4.36Å; Y387-L461 HydrophobicContact CD2-CD1 3.8Å; Y387-L461 HydrophobicContact CE2-CD1 3.85Å
388	T	93.8	Very high	94.3	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-171.6	-179.9	-160.9	0	0	0	0	111.5	Y251 F386 F415	Y251-T388 HydrophobicContact CD2-CG2 4.23Å; Y251-T388 HydrophobicContact CE1-CG2 3.95Å; Y251-T388 HydrophobicContact CE2-CG2 3.46Å; Y251-T388 VanDerWaalsContact CE2-CG2 3.46Å; Y251-T388 PolarHBondContact N-O 3.24Å; Y251-T388 VanDerWaalsContact N-O 3.12Å; Y251-T388 PolarHBondContact O-N 3.02Å; Y251-T388 WeakPolarHBondContact OH-CG2 3.09Å; F386-T388 HydrophobicContact CD1-CG2 3.89Å; F386-T388 HydrophobicContact CE1-CG2 3.82Å; T388-F415 HydrophobicContact CG2-CE1 4Å
389	G	91.8	Very high	94.1	Very high	14 Å²	14	30 Å²	30	14%	0.144	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	169.6	169.2	0	0	0	0	0	113.1	Q249	Q249-G389 CarbonylContact O-C 3.49Å; Q249-G389 WeakPolarHBondContact O-CA 3.45Å
390	W	91.9	Very high	94.1	Very high	48 Å²	48	20.3 Å²	20.3	18%	0.182	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	139.9	178.6	-172.1	-95.2	0	0	0	110.4	Q249 Y251 W399 P403 L404 F415	Q249-W390 PolarHBondContact N-O 3Å; Q249-W390 PolarHBondContact O-N 2.97Å; Y251-W390 HydrophobicContact CE1-CB 4.22Å; W390-W399 HydrophobicContact CH2-CZ2 4.32Å; W390-W399 HydrophobicContact CZ2-CD2 4.36Å; W390-W399 AromaticContact CZ2-CE2 3.75Å; W390-W399 HydrophobicContact CZ2-CZ2 4.02Å; W390-W399 AromaticContact CZ2-NE1 3.68Å; W390-W399 PolarHBondContact NE1-O 3.38Å; W390-P403 HydrophobicContact CH2-CB 3.84Å; W390-P403 HydrophobicContact CH2-CG 4.38Å; W390-P403 HydrophobicContact CZ2-CB 3.59Å; W390-P403 HydrophobicContact CZ2-CG 3.77Å; W390-L404 HydrophobicContact CB-CD1 3.76Å; W390-L404 HydrophobicContact CB-CD2 4.47Å; W390-L404 HydrophobicContact CD2-CD1 4.1Å; W390-L404 HydrophobicContact CD2-CD2 3.91Å; W390-L404 HydrophobicContact CD2-CG 4.34Å; W390-L404 HydrophobicContact CE3-CD2 3.88Å; W390-L404 HydrophobicContact CG-CD1 3.58Å; W390-L404 HydrophobicContact CG-CD2 4.19Å; W390-L404 HydrophobicContact CG-CG 4.32Å; W390-L404 HydrophobicContact CZ3-CD2 4.4Å; W390-F415 AromaticContact CE3-CD1 3.93Å; W390-F415 HydrophobicContact CE3-CD1 3.93Å; W390-F415 HydrophobicContact CE3-CG 4.49Å; W390-F415 HydrophobicContact CZ3-CB 3.94Å; W390-F415 AromaticContact CZ3-CD1 4Å; W390-F415 HydrophobicContact CZ3-CD1 4Å; W390-F415 HydrophobicContact CZ3-CG 4.1Å
391	S	90.5	Very high	94.2	Very high	21 Å²	21	13.4 Å²	13.4	15%	0.147	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.5	172	-69.5	0	0	0	0	109.1	I247 M248 S393	I247-S391 WeakPolarHBondContact O-CA 3.31Å; M248-S391 WeakPolarHBondContact CE-OG 3.02Å; S391-S393 VanDerWaalsContact C-N 3.28Å; S391-S393 PolarHBondContact O-N 3.22Å
392	A	91.4	Very high	94.2	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	8%	0.076	C	C	.	.			trans	-78.5	77.4	177.1	0	0	0	0	0	110.9	I247 I299 T394 G395 W399 A400	I247-A392 VanDerWaalsContact CD1-O 3.25Å; I247-A392 WeakPolarHBondContact CD1-O 3.31Å; I299-A392 HydrophobicContact CD1-CB 3.77Å; I299-A392 WeakPolarHBondContact CD1-O 3.34Å; I299-A392 HydrophobicContact CG1-CB 4.21Å; A392-T394 PolarHBondContact O-N 2.97Å; A392-G395 PolarHBondContact O-N 2.89Å; A392-W399 HydrophobicContact CB-CB 4.48Å; A392-A400 HydrophobicContact CB-CB 3.53Å
393	S	84.2	Confident	94.1	Very high	10 Å²	10	11.8 Å²	11.8	7%	0.07	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.8	-173.7	51.7	0	0	0	0	115.4	H141 S391 G395	H141-S393 PolarHBondContact CD2-OG 3.46Å; H141-S393 WeakPolarHBondContact NE2-CB 3.41Å; H141-S393 PolarHBondContact NE2-OG 3.29Å; S391-S393 VanDerWaalsContact C-N 3.28Å; S391-S393 PolarHBondContact O-N 3.22Å; S393-G395 VanDerWaalsContact C-N 3.29Å
394	T	86.7	Confident	94.1	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.031	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.9	171	58.8	0	0	0	0	113.1	A392 E396 W399	A392-T394 PolarHBondContact O-N 2.97Å; T394-E396 PolarHBondContact O-N 3.26Å; T394-E396 PolarHBondContact OG1-OE1 2.96Å; T394-W399 HydrophobicContact CG2-CB 3.9Å; T394-W399 HydrophobicContact CG2-CG 3.98Å; T394-W399 WeakPolarHBondContact OG1-CB 3.27Å
395	G	88.9	Confident	94.1	Very high	4 Å²	4	9.6 Å²	9.6	4%	0.041	5%	0.052	C	C	.	.	S	Bend	trans	75.4	4.3	-177.4	0	0	0	0	0	114.9	M50 A300 A392 S393	M50-G395 VanDerWaalsContact CE-CA 3.41Å; A300-G395 WeakPolarHBondContact CB-O 3.39Å; A300-G395 PolarHBondContact N-O 2.93Å; A392-G395 PolarHBondContact O-N 2.89Å; S393-G395 VanDerWaalsContact C-N 3.29Å
396	E	92.7	Very high	94	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.014	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-130.1	165.7	-179.6	71.4	69	-122.3	0	0	113.6	A134 N137 I299 A300 T394 D398 W399 Y445	A134-E396 HydrophobicContact CB-CG 4.13Å; N137-E396 HydrophobicContact CB-CG 4.16Å; I299-E396 WeakPolarHBondContact CG2-O 3.43Å; A300-E396 HydrophobicContact CB-CB 4.22Å; T394-E396 PolarHBondContact O-N 3.26Å; T394-E396 PolarHBondContact OG1-OE1 2.96Å; E396-D398 PolarHBondContact O-N 2.77Å; E396-D398 WeakPolarHBondContact OE1-CA 3.45Å; E396-D398 VanDerWaalsContact OE1-CB 3.24Å; E396-D398 WeakPolarHBondContact OE1-CB 3.29Å; E396-D398 PolarHBondContact OE1-N 2.88Å; E396-D398 WeakPolarHBondContact OE2-CB 3.31Å; E396-D398 PolarHBondContact OE2-N 3.47Å; E396-W399 PolarHBondContact OE1-N 2.83Å; E396-Y445 PolarHBondContact OE2-OH 2.89Å
397	A	96.1	Very high	94	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.4	-28.2	-167.2	0	0	0	0	0	115.8	A300 Y301 W399 A400 L401 Y445	A300-A397 WeakPolarHBondContact O-CB 3.38Å; A300-A397 PolarHBondContact O-N 2.75Å; Y301-A397 HydrophobicContact CD2-CB 4.47Å; A397-W399 PolarHBondContact O-N 2.81Å; A397-A400 CarbonylContact O-C 3.5Å; A397-A400 PolarHBondContact O-N 3.44Å; A397-A400 VanDerWaalsContact O-N 3.11Å; A397-L401 HydrophobicContact CB-CD1 4.06Å; A397-L401 VanDerWaalsContact O-CB 3.27Å; A397-L401 WeakPolarHBondContact O-CB 3.3Å; A397-L401 VanDerWaalsContact O-CG 3.28Å; A397-L401 WeakPolarHBondContact O-CG 3.33Å; A397-L401 PolarHBondContact O-N 3.01Å; A397-Y445 HydrophobicContact CB-CD1 3.75Å; A397-Y445 HydrophobicContact CB-CD2 3.88Å; A397-Y445 HydrophobicContact CB-CE1 3.9Å; A397-Y445 HydrophobicContact CB-CE2 3.99Å; A397-Y445 HydrophobicContact CB-CG 3.74Å
398	D	96	Very high	93.9	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.053	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-50.5	178.5	178.4	67.3	0	0	0	110.5	E396 A400 L401 S402 P403 L433 Y445	E396-D398 PolarHBondContact O-N 2.77Å; E396-D398 WeakPolarHBondContact OE1-CA 3.45Å; E396-D398 VanDerWaalsContact OE1-CB 3.24Å; E396-D398 WeakPolarHBondContact OE1-CB 3.29Å; E396-D398 PolarHBondContact OE1-N 2.88Å; E396-D398 WeakPolarHBondContact OE2-CB 3.31Å; E396-D398 PolarHBondContact OE2-N 3.47Å; D398-A400 PolarHBondContact O-N 2.94Å; D398-L401 PolarHBondContact O-N 2.91Å; D398-L401 VanDerWaalsContact O-N 3.07Å; D398-S402 WeakPolarHBondContact O-CB 3.33Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 VanDerWaalsContact OD1-CB 3.23Å; D398-S402 WeakPolarHBondContact OD1-CB 3.11Å; D398-S402 PolarHBondContact OD1-OG 3.37Å; D398-P403 WeakPolarHBondContact O-CD 3.45Å; D398-L433 HydrophobicContact CB-CD2 3.92Å; D398-Y445 HydrophobicContact CB-CE1 4.35Å; D398-Y445 WeakPolarHBondContact CB-OH 3.39Å; D398-Y445 PolarHBondContact N-OH 2.82Å
399	W	93	Very high	94.1	Very high	52 Å²	52	17.2 Å²	17.2	20%	0.197	9%	0.092	C	C	.	.	H	α-helix	trans	-69.3	-17.9	177.9	-157.4	-121.3	0	0	0	113.4	L109 W390 A392 T394 E396 A397 P403	L109-W399 HydrophobicContact CD2-CH2 4.19Å; L109-W399 HydrophobicContact CD2-CZ2 4.45Å; L109-W399 HydrophobicContact CD2-CZ3 4.33Å; W390-W399 HydrophobicContact CH2-CZ2 4.32Å; W390-W399 HydrophobicContact CZ2-CD2 4.36Å; W390-W399 AromaticContact CZ2-CE2 3.75Å; W390-W399 HydrophobicContact CZ2-CZ2 4.02Å; W390-W399 AromaticContact CZ2-NE1 3.68Å; W390-W399 PolarHBondContact NE1-O 3.38Å; A392-W399 HydrophobicContact CB-CB 4.48Å; T394-W399 HydrophobicContact CG2-CB 3.9Å; T394-W399 HydrophobicContact CG2-CG 3.98Å; T394-W399 WeakPolarHBondContact OG1-CB 3.27Å; E396-W399 PolarHBondContact OE1-N 2.83Å; A397-W399 PolarHBondContact O-N 2.81Å; W399-P403 HydrophobicContact CD2-CG 3.88Å; W399-P403 HydrophobicContact CE3-CG 3.57Å; W399-P403 HydrophobicContact CH2-CG 4.28Å; W399-P403 HydrophobicContact CZ3-CG 3.79Å
400	A	96.5	Very high	94.3	Very high	3 Å²	3	19.1 Å²	19.1	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-83.9	-20	172.3	0	0	0	0	0	113.8	V295 I299 A392 A397 D398 L404	V295-A400 HydrophobicContact CB-CB 4.38Å; V295-A400 HydrophobicContact CG1-CB 3.69Å; V295-A400 HydrophobicContact CG2-CB 3.85Å; I299-A400 HydrophobicContact CG2-CB 4.23Å; A392-A400 HydrophobicContact CB-CB 3.53Å; A397-A400 CarbonylContact O-C 3.5Å; A397-A400 PolarHBondContact O-N 3.44Å; A397-A400 VanDerWaalsContact O-N 3.11Å; D398-A400 PolarHBondContact O-N 2.94Å; A400-L404 WeakPolarHBondContact O-CD1 3.28Å
401	L	98.6	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-117.3	-55.5	-171.3	-68.5	170	0	0	0	112.6	V294 V295 A397 D398 L404 F405 L429 Y445 Q449 I452	V294-L401 HydrophobicContact CG2-CD2 4.07Å; V295-L401 HydrophobicContact CG2-CD1 4.48Å; V295-L401 HydrophobicContact CG2-CD2 3.59Å; V295-L401 HydrophobicContact CG2-CG 3.86Å; A397-L401 HydrophobicContact CB-CD1 4.06Å; A397-L401 VanDerWaalsContact O-CB 3.27Å; A397-L401 WeakPolarHBondContact O-CB 3.3Å; A397-L401 VanDerWaalsContact O-CG 3.28Å; A397-L401 WeakPolarHBondContact O-CG 3.33Å; A397-L401 PolarHBondContact O-N 3.01Å; D398-L401 PolarHBondContact O-N 2.91Å; D398-L401 VanDerWaalsContact O-N 3.07Å; L401-L404 PolarHBondContact O-N 3.04Å; L401-F405 HydrophobicContact CB-CD2 4.47Å; L401-F405 HydrophobicContact CD2-CD2 3.87Å; L401-F405 HydrophobicContact CD2-CE2 3.98Å; L401-F405 WeakPolarHBondContact O-CD2 3.44Å; L401-F405 PolarHBondContact O-N 3.32Å; L401-L429 HydrophobicContact CB-CD1 4.45Å; L401-L429 HydrophobicContact CB-CD2 3.82Å; L401-L429 HydrophobicContact CD1-CD2 3.92Å; L401-Y445 HydrophobicContact CD1-CD1 3.83Å; L401-Y445 HydrophobicContact CD1-CE1 4.48Å; L401-Q449 HydrophobicContact CD1-CG 3.88Å; L401-Q449 HydrophobicContact CD2-CG 3.87Å; L401-I452 HydrophobicContact CD2-CD1 3.98Å
402	S	96.8	Very high	94.7	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.07	11%	0.109	C	C	.	.	H	α-helix	trans	-57	-48	-172.9	-73.2	0	0	0	0	112.4	D398 L404 A406 N409	D398-S402 WeakPolarHBondContact O-CB 3.33Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 VanDerWaalsContact OD1-CB 3.23Å; D398-S402 WeakPolarHBondContact OD1-CB 3.11Å; D398-S402 PolarHBondContact OD1-OG 3.37Å; S402-L404 PolarHBondContact O-N 2.89Å; S402-A406 VanDerWaalsContact O-CB 3.23Å; S402-A406 WeakPolarHBondContact O-CB 3.43Å; S402-A406 PolarHBondContact O-N 2.93Å; S402-A406 VanDerWaalsContact O-N 3.16Å; S402-N409 VanDerWaalsContact C-ND2 3.31Å; S402-N409 PolarHBondContact O-ND2 2.54Å
403	P	94.4	Very high	94.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-57.4	-21.2	177.6	-32.1	40.5	0	0	0	116	W390 D398 W399 L414 F415 N416	W390-P403 HydrophobicContact CH2-CB 3.84Å; W390-P403 HydrophobicContact CH2-CG 4.38Å; W390-P403 HydrophobicContact CZ2-CB 3.59Å; W390-P403 HydrophobicContact CZ2-CG 3.77Å; D398-P403 WeakPolarHBondContact O-CD 3.45Å; W399-P403 HydrophobicContact CD2-CG 3.88Å; W399-P403 HydrophobicContact CE3-CG 3.57Å; W399-P403 HydrophobicContact CH2-CG 4.28Å; W399-P403 HydrophobicContact CZ3-CG 3.79Å; P403-L414 VanDerWaalsContact CA-CD2 3.42Å; P403-L414 HydrophobicContact CB-CD2 3.37Å; P403-L414 HydrophobicContact CG-CD2 3.86Å; P403-F415 CarbonylContact O-C 3.58Å; P403-F415 PolarHBondContact O-N 2.88Å; P403-N416 PolarHBondContact O-N 3.1Å
404	L	98.1	Very high	95	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-115.7	-23.8	-162.8	-59.5	-178.6	0	0	0	113.2	W390 A400 L401 S402 F415 N416 W458	W390-L404 HydrophobicContact CB-CD1 3.76Å; W390-L404 HydrophobicContact CB-CD2 4.47Å; W390-L404 HydrophobicContact CD2-CD1 4.1Å; W390-L404 HydrophobicContact CD2-CD2 3.91Å; W390-L404 HydrophobicContact CD2-CG 4.34Å; W390-L404 HydrophobicContact CE3-CD2 3.88Å; W390-L404 HydrophobicContact CG-CD1 3.58Å; W390-L404 HydrophobicContact CG-CD2 4.19Å; W390-L404 HydrophobicContact CG-CG 4.32Å; W390-L404 HydrophobicContact CZ3-CD2 4.4Å; A400-L404 WeakPolarHBondContact O-CD1 3.28Å; L401-L404 PolarHBondContact O-N 3.04Å; S402-L404 PolarHBondContact O-N 2.89Å; L404-F415 HydrophobicContact CD2-CB 4.21Å; L404-F415 HydrophobicContact CD2-CD1 4Å; L404-N416 WeakPolarHBondContact O-CA 3.28Å; L404-N416 WeakPolarHBondContact O-CB 3.47Å; L404-N416 PolarHBondContact O-OD1 3.39Å; L404-N416 VanDerWaalsContact O-OD1 3.1Å; L404-W458 HydrophobicContact CB-CH2 3.98Å; L404-W458 HydrophobicContact CB-CZ2 3.78Å; L404-W458 HydrophobicContact CD1-CH2 3.55Å; L404-W458 HydrophobicContact CD1-CZ2 4.1Å; L404-W458 HydrophobicContact CG-CH2 4.26Å; L404-W458 HydrophobicContact CG-CZ2 4.33Å
405	F	98.8	Very high	95.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-133.1	-19.3	-174.1	-57.8	-67.4	0	0	0	114.6	V294 L401 S407 N416 Y420 I452 P457 W458	V294-F405 HydrophobicContact CB-CE2 4.16Å; V294-F405 HydrophobicContact CB-CZ 3.98Å; V294-F405 HydrophobicContact CG1-CZ 4.13Å; V294-F405 HydrophobicContact CG2-CE2 4.14Å; V294-F405 HydrophobicContact CG2-CZ 4.33Å; L401-F405 HydrophobicContact CB-CD2 4.47Å; L401-F405 HydrophobicContact CD2-CD2 3.87Å; L401-F405 HydrophobicContact CD2-CE2 3.98Å; L401-F405 WeakPolarHBondContact O-CD2 3.44Å; L401-F405 PolarHBondContact O-N 3.32Å; F405-S407 PolarHBondContact O-N 3.06Å; F405-N416 VanDerWaalsContact C-ND2 3.29Å; F405-N416 WeakPolarHBondContact CA-ND2 3.39Å; F405-N416 PolarHBondContact O-ND2 3.31Å; F405-Y420 HydrophobicContact CB-CD1 3.97Å; F405-Y420 HydrophobicContact CB-CE1 4.38Å; F405-Y420 HydrophobicContact CD1-CD1 4.06Å; F405-Y420 HydrophobicContact CG-CD1 4.5Å; F405-Y420 WeakPolarHBondContact O-CD1 3.2Å; F405-I452 HydrophobicContact CB-CD1 4Å; F405-I452 HydrophobicContact CD1-CG2 3.86Å; F405-I452 HydrophobicContact CD2-CD1 3.84Å; F405-I452 HydrophobicContact CD2-CG2 4.39Å; F405-I452 HydrophobicContact CE1-CG2 3.61Å; F405-I452 HydrophobicContact CE2-CD1 4.44Å; F405-I452 HydrophobicContact CE2-CG2 4.18Å; F405-I452 HydrophobicContact CG-CD1 3.87Å; F405-I452 HydrophobicContact CG-CG1 4.35Å; F405-I452 HydrophobicContact CG-CG2 4.23Å; F405-I452 HydrophobicContact CZ-CG2 3.76Å; F405-P457 HydrophobicContact CD1-CG 4.14Å; F405-P457 HydrophobicContact CE1-CG 3.86Å; F405-W458 AromaticContact CE1-CD2 3.72Å; F405-W458 HydrophobicContact CE1-CD2 3.72Å; F405-W458 AromaticContact CE1-CE2 3.42Å; F405-W458 VanDerWaalsContact CE1-CE2 3.42Å; F405-W458 HydrophobicContact CE1-CE3 4.16Å; F405-W458 HydrophobicContact CE1-CG 4.21Å; F405-W458 HydrophobicContact CE1-CH2 4.08Å; F405-W458 AromaticContact CE1-CZ2 3.66Å; F405-W458 HydrophobicContact CE1-CZ2 3.66Å; F405-W458 HydrophobicContact CE1-CZ3 4.32Å; F405-W458 AromaticContact CE1-NE1 3.7Å; F405-W458 AromaticContact CE2-CH2 3.73Å; F405-W458 HydrophobicContact CE2-CH2 3.73Å; F405-W458 HydrophobicContact CE2-CZ2 4.04Å; F405-W458 HydrophobicContact CE2-CZ3 4.03Å; F405-W458 AromaticContact CZ-CD2 3.6Å; F405-W458 HydrophobicContact CZ-CD2 3.6Å; F405-W458 AromaticContact CZ-CE2 3.48Å; F405-W458 VanDerWaalsContact CZ-CE2 3.48Å; F405-W458 AromaticContact CZ-CE3 3.55Å; F405-W458 HydrophobicContact CZ-CE3 3.55Å; F405-W458 HydrophobicContact CZ-CG 4.48Å; F405-W458 AromaticContact CZ-CH2 3.29Å; F405-W458 HydrophobicContact CZ-CH2 3.29Å; F405-W458 AromaticContact CZ-CZ2 3.37Å; F405-W458 HydrophobicContact CZ-CZ2 3.37Å; F405-W458 AromaticContact CZ-CZ3 3.39Å; F405-W458 HydrophobicContact CZ-CZ3 3.39Å
406	A	98.3	Very high	95.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.14	C	C	.	.			trans	-68.8	135	177.6	0	0	0	0	0	109.9	S402 Q408 N409 N416 D426 L429	S402-A406 VanDerWaalsContact O-CB 3.23Å; S402-A406 WeakPolarHBondContact O-CB 3.43Å; S402-A406 PolarHBondContact O-N 2.93Å; S402-A406 VanDerWaalsContact O-N 3.16Å; A406-Q408 VanDerWaalsContact C-N 3.26Å; A406-Q408 VanDerWaalsContact CB-OE1 3.26Å; A406-Q408 PolarHBondContact O-N 3.18Å; A406-N409 WeakPolarHBondContact O-CB 3.33Å; A406-N409 PolarHBondContact O-N 3.2Å; A406-N416 PolarHBondContact O-ND2 3.48Å; A406-N416 VanDerWaalsContact O-ND2 3.09Å; A406-D426 WeakPolarHBondContact CA-OD1 3.12Å; A406-L429 HydrophobicContact CB-CD1 4.18Å
407	S	98.3	Very high	96.1	Very high	36 Å²	36	26.1 Å²	26.1	25%	0.252	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-62.1	-32.7	-171.7	67.3	0	0	0	0	113.2	F405 N409 W410 S421 D426	F405-S407 PolarHBondContact O-N 3.06Å; S407-N409 PolarHBondContact O-N 3.16Å; S407-N409 VanDerWaalsContact O-N 3.16Å; S407-W410 VanDerWaalsContact O-CD1 3.29Å; S407-S421 WeakPolarHBondContact CB-OG 3.41Å; S407-D426 WeakPolarHBondContact CB-OD2 3.4Å; S407-D426 PolarHBondContact N-OD1 3.5Å; S407-D426 PolarHBondContact OG-OD2 3.16Å
408	Q	95.8	Very high	96.2	Very high	114 Å²	114	26.1 Å²	26.1	53%	0.533	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-67.1	-14.3	178	72.2	-83.9	21.4	0	0	113.7	A406 T413	A406-Q408 VanDerWaalsContact C-N 3.26Å; A406-Q408 VanDerWaalsContact CB-OE1 3.26Å; A406-Q408 PolarHBondContact O-N 3.18Å; Q408-T413 WeakPolarHBondContact O-CB 3.39Å; Q408-T413 WeakPolarHBondContact O-CG2 3.14Å
409	N	96.3	Very high	96.3	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.134	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-101.3	17	-173	-72.5	-28.6	0	0	0	113.3	S402 A406 S407 L414 F415 N416	S402-N409 VanDerWaalsContact C-ND2 3.31Å; S402-N409 PolarHBondContact O-ND2 2.54Å; A406-N409 WeakPolarHBondContact O-CB 3.33Å; A406-N409 PolarHBondContact O-N 3.2Å; S407-N409 PolarHBondContact O-N 3.16Å; S407-N409 VanDerWaalsContact O-N 3.16Å; N409-L414 HydrophobicContact CB-CB 3.86Å; N409-L414 HydrophobicContact CB-CD2 4.44Å; N409-L414 CarbonylContact O-C 3.55Å; N409-L414 VanDerWaalsContact O-C 3.24Å; N409-F415 PolarHBondContact O-N 3.36Å; N409-N416 HydrophobicContact CB-CB 4.49Å; N409-N416 WeakPolarHBondContact O-CB 3.25Å; N409-N416 PolarHBondContact O-N 3.41Å
410	W	97.9	Very high	96.6	Very high	54 Å²	54	23.5 Å²	23.5	21%	0.205	13%	0.129	C	C	.	.			trans	-58.3	144.8	166.3	-67.1	3	0	0	0	110.3	T257 Q378 S407 T413 N416 F419 Y420	T257-W410 HydrophobicContact CG2-CH2 4.39Å; Q378-W410 HydrophobicContact CB-CE3 4.05Å; Q378-W410 HydrophobicContact CB-CZ3 4.1Å; Q378-W410 VanDerWaalsContact CD-CZ3 3.43Å; Q378-W410 HydrophobicContact CG-CE3 4.35Å; Q378-W410 HydrophobicContact CG-CZ3 4.02Å; Q378-W410 VanDerWaalsContact OE1-CZ3 3.23Å; S407-W410 VanDerWaalsContact O-CD1 3.29Å; W410-T413 VanDerWaalsContact O-CB 3.3Å; W410-T413 WeakPolarHBondContact O-CB 3.41Å; W410-T413 PolarHBondContact O-N 2.76Å; W410-N416 VanDerWaalsContact CD1-ND2 3.32Å; W410-N416 PolarHBondContact NE1-ND2 3.35Å; W410-F419 HydrophobicContact CB-CD1 3.99Å; W410-F419 HydrophobicContact CB-CE1 4.19Å; W410-F419 HydrophobicContact CD2-CB 4.2Å; W410-F419 AromaticContact CD2-CD1 3.72Å; W410-F419 HydrophobicContact CD2-CD1 3.72Å; W410-F419 HydrophobicContact CD2-CG 4.44Å; W410-F419 VanDerWaalsContact CE2-C 3.44Å; W410-F419 AromaticContact CE3-CD1 3.86Å; W410-F419 HydrophobicContact CE3-CD1 3.86Å; W410-F419 AromaticContact CG-CD1 3.8Å; W410-F419 HydrophobicContact CG-CD1 3.8Å; W410-F419 HydrophobicContact CG-CE1 4.49Å; W410-F419 HydrophobicContact CZ2-CB 4.2Å; W410-F419 WeakPolarHBondContact CZ2-O 3.39Å; W410-Y420 PolarHBondContact NE1-O 3.45Å
411	P	96.4	Very high	96.7	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.032	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	142.3	168.1	-28.4	35.8	0	0	0	111.5	V373 K376 G377 N416 F419	V373-P411 VanDerWaalsContact O-CB 3.31Å; V373-P411 WeakPolarHBondContact O-CB 3.43Å; V373-P411 WeakPolarHBondContact O-CG 3.44Å; K376-P411 WeakPolarHBondContact O-CB 3.45Å; G377-P411 WeakPolarHBondContact CA-O 3.28Å; P411-N416 WeakPolarHBondContact CD-O 3.49Å; P411-F419 HydrophobicContact CG-CZ 4.39Å
412	P	94.2	Very high	96.7	Very high	89 Å²	89	27.3 Å²	27.3	58%	0.578	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89	9.5	5.2	37	-36.7	0	0	0	116	E374	E374-P412 WeakPolarHBondContact O-CA 3.46Å; E374-P412 VanDerWaalsContact O-CB 3.32Å; E374-P412 WeakPolarHBondContact O-CB 3.18Å
413	T	90.6	Very high	96.8	Very high	90 Å²	90	35 Å²	35	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-48	-179.7	-53.3	0	0	0	0	111.4	Q408 W410	Q408-T413 WeakPolarHBondContact O-CB 3.39Å; Q408-T413 WeakPolarHBondContact O-CG2 3.14Å; W410-T413 VanDerWaalsContact O-CB 3.3Å; W410-T413 WeakPolarHBondContact O-CB 3.41Å; W410-T413 PolarHBondContact O-N 2.76Å
414	L	90.2	Very high	97	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.225	21%	0.211	C	C	.	.	S	Bend	trans	-158	-140.9	-179.1	-140.1	84.9	0	0	0	111.2	P403 N409	P403-L414 VanDerWaalsContact CA-CD2 3.42Å; P403-L414 HydrophobicContact CB-CD2 3.37Å; P403-L414 HydrophobicContact CG-CD2 3.86Å; N409-L414 HydrophobicContact CB-CB 3.86Å; N409-L414 HydrophobicContact CB-CD2 4.44Å; N409-L414 CarbonylContact O-C 3.55Å; N409-L414 VanDerWaalsContact O-C 3.24Å
415	F	94.9	Very high	97.1	Very high	11 Å²	11	40 Å²	40	5%	0.048	21%	0.21	C	C	.	.			trans	-117.8	20	-160.4	-146.8	-112.3	0	0	0	115.7	E374 F386 T388 W390 P403 L404 N409 T417	E374-F415 HydrophobicContact CG-CD2 4.14Å; E374-F415 HydrophobicContact CG-CE2 3.8Å; F386-F415 HydrophobicContact CE1-CE1 4.37Å; F386-F415 AromaticContact CE1-CZ 3.79Å; F386-F415 HydrophobicContact CE1-CZ 3.79Å; F386-F415 HydrophobicContact CZ-CZ 4.48Å; T388-F415 HydrophobicContact CG2-CE1 4Å; W390-F415 AromaticContact CE3-CD1 3.93Å; W390-F415 HydrophobicContact CE3-CD1 3.93Å; W390-F415 HydrophobicContact CE3-CG 4.49Å; W390-F415 HydrophobicContact CZ3-CB 3.94Å; W390-F415 AromaticContact CZ3-CD1 4Å; W390-F415 HydrophobicContact CZ3-CD1 4Å; W390-F415 HydrophobicContact CZ3-CG 4.1Å; P403-F415 CarbonylContact O-C 3.58Å; P403-F415 PolarHBondContact O-N 2.88Å; L404-F415 HydrophobicContact CD2-CB 4.21Å; L404-F415 HydrophobicContact CD2-CD1 4Å; N409-F415 PolarHBondContact O-N 3.36Å; F415-T417 HydrophobicContact CD2-CG2 4.39Å; F415-T417 HydrophobicContact CE1-CG2 4.45Å; F415-T417 HydrophobicContact CE2-CG2 4.29Å; F415-T417 HydrophobicContact CG-CG2 4.49Å; F415-T417 HydrophobicContact CZ-CG2 4.31Å; F415-T417 PolarHBondContact O-N 2.79Å
416	N	98.2	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.			trans	-75.3	71.8	172.2	-177.6	-11	0	0	0	110.4	P403 L404 F405 A406 N409 W410 P411 A418 F419 Y420	P403-N416 PolarHBondContact O-N 3.1Å; L404-N416 WeakPolarHBondContact O-CA 3.28Å; L404-N416 WeakPolarHBondContact O-CB 3.47Å; L404-N416 PolarHBondContact O-OD1 3.39Å; L404-N416 VanDerWaalsContact O-OD1 3.1Å; F405-N416 VanDerWaalsContact C-ND2 3.29Å; F405-N416 WeakPolarHBondContact CA-ND2 3.39Å; F405-N416 PolarHBondContact O-ND2 3.31Å; A406-N416 PolarHBondContact O-ND2 3.48Å; A406-N416 VanDerWaalsContact O-ND2 3.09Å; N409-N416 HydrophobicContact CB-CB 4.49Å; N409-N416 WeakPolarHBondContact O-CB 3.25Å; N409-N416 PolarHBondContact O-N 3.41Å; W410-N416 VanDerWaalsContact CD1-ND2 3.32Å; W410-N416 PolarHBondContact NE1-ND2 3.35Å; P411-N416 WeakPolarHBondContact CD-O 3.49Å; N416-A418 PolarHBondContact O-N 3Å; N416-F419 PolarHBondContact O-N 2.95Å; N416-F419 VanDerWaalsContact O-N 3.07Å; N416-F419 PolarHBondContact OD1-N 2.92Å; N416-Y420 PolarHBondContact ND2-O 2.98Å; N416-Y420 PolarHBondContact OD1-N 3.25Å; N416-Y420 VanDerWaalsContact OD1-N 3.08Å
417	T	98.4	Very high	97.1	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.6	-177.6	56.5	0	0	0	0	113.7	S253 V373 F386 F415 F419	S253-T417 WeakPolarHBondContact CB-OG1 3.37Å; S253-T417 PolarHBondContact OG-OG1 3.45Å; V373-T417 HydrophobicContact CG1-CG2 3.62Å; F386-T417 HydrophobicContact CD1-CG2 3.94Å; F386-T417 HydrophobicContact CE1-CG2 4.15Å; F415-T417 HydrophobicContact CD2-CG2 4.39Å; F415-T417 HydrophobicContact CE1-CG2 4.45Å; F415-T417 HydrophobicContact CE2-CG2 4.29Å; F415-T417 HydrophobicContact CG-CG2 4.49Å; F415-T417 HydrophobicContact CZ-CG2 4.31Å; F415-T417 PolarHBondContact O-N 2.79Å; T417-F419 VanDerWaalsContact C-N 3.26Å
418	A	98.8	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13	171.7	0	0	0	0	0	112.4	M254 N255 V256 N416 Y420 P457	M254-A418 WeakPolarHBondContact O-CA 3.3Å; M254-A418 WeakPolarHBondContact O-CB 2.97Å; N255-A418 CarbonylContact C-O 3.45Å; N255-A418 WeakPolarHBondContact CA-O 3.42Å; V256-A418 PolarHBondContact N-O 2.88Å; N416-A418 PolarHBondContact O-N 3Å; A418-Y420 PolarHBondContact O-N 3.25Å; A418-P457 HydrophobicContact CB-CB 4.17Å
419	F	98.7	Very high	97.2	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.206	C	C	.	.			trans	50.3	37.4	-168	-60.9	-87.8	0	0	0	111.4	N255 V256 T257 Q378 V383 W410 P411 N416 T417	N255-F419 HydrophobicContact CB-CD2 4.3Å; N255-F419 VanDerWaalsContact CG-CD2 3.47Å; N255-F419 WeakPolarHBondContact ND2-CD2 3.41Å; V256-F419 WeakPolarHBondContact CG2-O 3.33Å; T257-F419 HydrophobicContact CG2-CB 3.86Å; T257-F419 WeakPolarHBondContact CG2-O 3.21Å; Q378-F419 VanDerWaalsContact CA-CE1 3.47Å; Q378-F419 HydrophobicContact CB-CD1 3.76Å; Q378-F419 HydrophobicContact CB-CE1 3.87Å; Q378-F419 HydrophobicContact CG-CD1 3.91Å; Q378-F419 HydrophobicContact CG-CE1 4.4Å; Q378-F419 HydrophobicContact CG-CG 4.35Å; V383-F419 HydrophobicContact CB-CE2 4.49Å; W410-F419 HydrophobicContact CB-CD1 3.99Å; W410-F419 HydrophobicContact CB-CE1 4.19Å; W410-F419 HydrophobicContact CD2-CB 4.2Å; W410-F419 AromaticContact CD2-CD1 3.72Å; W410-F419 HydrophobicContact CD2-CD1 3.72Å; W410-F419 HydrophobicContact CD2-CG 4.44Å; W410-F419 VanDerWaalsContact CE2-C 3.44Å; W410-F419 AromaticContact CE3-CD1 3.86Å; W410-F419 HydrophobicContact CE3-CD1 3.86Å; W410-F419 AromaticContact CG-CD1 3.8Å; W410-F419 HydrophobicContact CG-CD1 3.8Å; W410-F419 HydrophobicContact CG-CE1 4.49Å; W410-F419 HydrophobicContact CZ2-CB 4.2Å; W410-F419 WeakPolarHBondContact CZ2-O 3.39Å; P411-F419 HydrophobicContact CG-CZ 4.39Å; N416-F419 PolarHBondContact O-N 2.95Å; N416-F419 VanDerWaalsContact O-N 3.07Å; N416-F419 PolarHBondContact OD1-N 2.92Å; T417-F419 VanDerWaalsContact C-N 3.26Å
420	Y	98.8	Very high	97.2	Very high	6 Å²	6	40.3 Å²	40.3	2%	0.024	22%	0.217	C	C	.	.			trans	-76.9	142.4	179.2	175.8	-104.3	0	0	0	110.3	F405 W410 N416 A418 N422 V425 I452 E455 P457	F405-Y420 HydrophobicContact CB-CD1 3.97Å; F405-Y420 HydrophobicContact CB-CE1 4.38Å; F405-Y420 HydrophobicContact CD1-CD1 4.06Å; F405-Y420 HydrophobicContact CG-CD1 4.5Å; F405-Y420 WeakPolarHBondContact O-CD1 3.2Å; W410-Y420 PolarHBondContact NE1-O 3.45Å; N416-Y420 PolarHBondContact ND2-O 2.98Å; N416-Y420 PolarHBondContact OD1-N 3.25Å; N416-Y420 VanDerWaalsContact OD1-N 3.08Å; A418-Y420 PolarHBondContact O-N 3.25Å; Y420-N422 HydrophobicContact CE1-CB 3.97Å; Y420-N422 HydrophobicContact CE2-CB 4.34Å; Y420-N422 WeakPolarHBondContact OH-CB 3.45Å; Y420-V425 HydrophobicContact CE1-CG1 4.42Å; Y420-V425 HydrophobicContact CE1-CG2 4.31Å; Y420-I452 HydrophobicContact CE1-CG1 4.07Å; Y420-E455 HydrophobicContact CE2-CB 4.18Å; Y420-E455 WeakPolarHBondContact CE2-OE2 3.3Å; Y420-E455 PolarHBondContact OH-OE2 3.27Å; Y420-P457 HydrophobicContact CD2-CB 3.69Å; Y420-P457 HydrophobicContact CD2-CG 3.94Å; Y420-P457 HydrophobicContact CE2-CB 4.45Å; Y420-P457 HydrophobicContact CE2-CG 4.32Å; Y420-P457 HydrophobicContact CG-CB 3.9Å; Y420-P457 HydrophobicContact CG-CG 4.06Å
421	S	98.7	Very high	97.2	Very high	64 Å²	64	40.9 Å²	40.9	45%	0.448	22%	0.222	S	C	.	.			trans	-150.6	128.2	176.2	169.3	0	0	0	0	109.1	S407	S407-S421 WeakPolarHBondContact CB-OG 3.41Å
422	N	98.8	Very high	97.2	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	22%	0.22	C	C	.	.			trans	-144.4	123.9	172	-178.2	-53.2	0	0	0	109.1	Y420 Q424 V425 D426 I451 E455	Y420-N422 HydrophobicContact CE1-CB 3.97Å; Y420-N422 HydrophobicContact CE2-CB 4.34Å; Y420-N422 WeakPolarHBondContact OH-CB 3.45Å; N422-Q424 PolarHBondContact O-N 2.79Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.38Å; N422-Q424 PolarHBondContact OD1-N 2.98Å; N422-V425 HydrophobicContact CB-CB 4.03Å; N422-V425 HydrophobicContact CB-CG2 3.86Å; N422-V425 PolarHBondContact O-N 3.48Å; N422-V425 VanDerWaalsContact O-N 3.1Å; N422-V425 PolarHBondContact OD1-N 3.16Å; N422-D426 PolarHBondContact O-N 3.18Å; N422-I451 WeakPolarHBondContact ND2-CG2 3.36Å; N422-E455 VanDerWaalsContact ND2-CD 3.32Å; N422-E455 PolarHBondContact ND2-OE1 2.83Å; N422-E455 PolarHBondContact ND2-OE2 3.38Å
423	K	98.7	Very high	97.3	Very high	171 Å²	171	37.7 Å²	37.7	74%	0.743	20%	0.199	S	C	*	.	H	α-helix	trans	-57.7	-37	-174.6	-172.6	-174.5	-179.1	-54.9	0	112.7	D427	K423-D427 VanDerWaalsContact O-CB 3.28Å; K423-D427 WeakPolarHBondContact O-CB 3.36Å; K423-D427 PolarHBondContact O-N 3.16Å; K423-D427 VanDerWaalsContact O-N 3.15Å
424	Q	98.8	Very high	97.4	Very high	111 Å²	111	40 Å²	40	52%	0.519	20%	0.201	S	C	.	.	H	α-helix	trans	-73.2	-40.4	179.3	-66.7	-179.9	91.4	0	0	111.1	N422 D427 F428 I451	N422-Q424 PolarHBondContact O-N 2.79Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.38Å; N422-Q424 PolarHBondContact OD1-N 2.98Å; Q424-D427 PolarHBondContact O-N 3.18Å; Q424-F428 HydrophobicContact CB-CD2 4.42Å; Q424-F428 HydrophobicContact CB-CE2 4.02Å; Q424-F428 WeakPolarHBondContact O-CB 3.27Å; Q424-F428 WeakPolarHBondContact O-CD2 3.45Å; Q424-F428 WeakPolarHBondContact O-CG 3.33Å; Q424-F428 PolarHBondContact O-N 3.05Å; Q424-I451 HydrophobicContact CB-CD1 3.82Å
425	V	98.8	Very high	97.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-50.3	176	172.9	0	0	0	0	110.4	Y420 N422 D427 F428 L429 A448 I451 I452	Y420-V425 HydrophobicContact CE1-CG1 4.42Å; Y420-V425 HydrophobicContact CE1-CG2 4.31Å; N422-V425 HydrophobicContact CB-CB 4.03Å; N422-V425 HydrophobicContact CB-CG2 3.86Å; N422-V425 PolarHBondContact O-N 3.48Å; N422-V425 VanDerWaalsContact O-N 3.1Å; N422-V425 PolarHBondContact OD1-N 3.16Å; V425-D427 VanDerWaalsContact C-N 3.28Å; V425-D427 PolarHBondContact O-N 3.06Å; V425-F428 PolarHBondContact O-N 3.15Å; V425-L429 HydrophobicContact CG1-CD1 3.9Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.2Å; V425-L429 PolarHBondContact O-N 3.13Å; V425-A448 HydrophobicContact CG1-CB 4.37Å; V425-I451 HydrophobicContact CG2-CB 3.92Å; V425-I451 HydrophobicContact CG2-CD1 4.38Å; V425-I451 HydrophobicContact CG2-CG2 3.74Å; V425-I452 HydrophobicContact CG1-CD1 3.87Å; V425-I452 HydrophobicContact CG1-CG1 4.09Å; V425-I452 HydrophobicContact CG2-CG1 3.98Å
426	D	98.7	Very high	97	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-42.8	178.1	-73.1	-5.3	0	0	0	111.8	A406 S407 N422 A430	A406-D426 WeakPolarHBondContact CA-OD1 3.12Å; S407-D426 WeakPolarHBondContact CB-OD2 3.4Å; S407-D426 PolarHBondContact N-OD1 3.5Å; S407-D426 PolarHBondContact OG-OD2 3.16Å; N422-D426 PolarHBondContact O-N 3.18Å; D426-A430 VanDerWaalsContact O-CB 3.32Å; D426-A430 WeakPolarHBondContact O-CB 3.45Å; D426-A430 PolarHBondContact O-N 3.34Å
427	D	98.5	Very high	96.7	Very high	72 Å²	72	46.1 Å²	46.1	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-43.6	179.1	-173.2	55.4	0	0	0	112.1	K423 Q424 V425 L429 A430 Q431	K423-D427 VanDerWaalsContact O-CB 3.28Å; K423-D427 WeakPolarHBondContact O-CB 3.36Å; K423-D427 PolarHBondContact O-N 3.16Å; K423-D427 VanDerWaalsContact O-N 3.15Å; Q424-D427 PolarHBondContact O-N 3.18Å; V425-D427 VanDerWaalsContact C-N 3.28Å; V425-D427 PolarHBondContact O-N 3.06Å; D427-L429 PolarHBondContact O-N 2.76Å; D427-A430 PolarHBondContact O-N 3.24Å; D427-Q431 VanDerWaalsContact CG-NE2 3.32Å; D427-Q431 WeakPolarHBondContact O-CB 3.45Å; D427-Q431 VanDerWaalsContact O-CG 3.27Å; D427-Q431 WeakPolarHBondContact O-CG 3.45Å; D427-Q431 PolarHBondContact O-N 2.95Å; D427-Q431 PolarHBondContact OD2-NE2 2.92Å
428	F	98.8	Very high	96.3	Very high	33 Å²	33	49.9 Å²	49.9	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-41.4	176.2	-67.8	-35	0	0	0	112.5	Q424 V425 Q431 A432 L444 A447 A448 I451	Q424-F428 HydrophobicContact CB-CD2 4.42Å; Q424-F428 HydrophobicContact CB-CE2 4.02Å; Q424-F428 WeakPolarHBondContact O-CB 3.27Å; Q424-F428 WeakPolarHBondContact O-CD2 3.45Å; Q424-F428 WeakPolarHBondContact O-CG 3.33Å; Q424-F428 PolarHBondContact O-N 3.05Å; V425-F428 PolarHBondContact O-N 3.15Å; F428-Q431 PolarHBondContact O-N 3.17Å; F428-A432 WeakPolarHBondContact O-CB 3.32Å; F428-A432 PolarHBondContact O-N 3.14Å; F428-L444 HydrophobicContact CB-CD2 4.45Å; F428-L444 HydrophobicContact CD1-CD2 3.75Å; F428-L444 HydrophobicContact CG-CD2 4.46Å; F428-A447 HydrophobicContact CD2-CB 3.74Å; F428-A447 HydrophobicContact CE1-CB 4.49Å; F428-A447 HydrophobicContact CE2-CB 3.58Å; F428-A447 HydrophobicContact CG-CB 4.27Å; F428-A447 HydrophobicContact CZ-CB 4Å; F428-A448 HydrophobicContact CB-CB 4.11Å; F428-A448 HydrophobicContact CD2-CB 4.45Å; F428-I451 HydrophobicContact CD2-CD1 4.42Å; F428-I451 HydrophobicContact CE2-CD1 3.9Å
429	L	98.3	Very high	96.3	Very high	3 Å²	3	53 Å²	53	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-44.7	175	-66.2	176.3	0	0	0	110.8	L401 A406 V425 D427 Q431 A432 L433 Y445 A448	L401-L429 HydrophobicContact CB-CD1 4.45Å; L401-L429 HydrophobicContact CB-CD2 3.82Å; L401-L429 HydrophobicContact CD1-CD2 3.92Å; A406-L429 HydrophobicContact CB-CD1 4.18Å; V425-L429 HydrophobicContact CG1-CD1 3.9Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.2Å; V425-L429 PolarHBondContact O-N 3.13Å; D427-L429 PolarHBondContact O-N 2.76Å; L429-Q431 PolarHBondContact O-N 2.89Å; L429-A432 PolarHBondContact O-N 3.46Å; L429-L433 WeakPolarHBondContact O-CG 3.44Å; L429-L433 PolarHBondContact O-N 3.05Å; L429-Y445 HydrophobicContact CD2-CD1 4.02Å; L429-Y445 HydrophobicContact CD2-CE1 4.05Å; L429-A448 HydrophobicContact CD2-CB 4.29Å
430	A	96.7	Very high	96.2	Very high	42 Å²	42	55.6 Å²	55.6	35%	0.347	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-38.1	176.7	0	0	0	0	0	113.1	D426 D427 K434	D426-A430 VanDerWaalsContact O-CB 3.32Å; D426-A430 WeakPolarHBondContact O-CB 3.45Å; D426-A430 PolarHBondContact O-N 3.34Å; D427-A430 PolarHBondContact O-N 3.24Å; A430-K434 WeakPolarHBondContact O-CG 3.33Å
431	Q	97.1	Very high	96.1	Very high	66 Å²	66	55.7 Å²	55.7	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-40	175.1	-73.9	-176.5	58.9	0	0	111.8	D427 F428 L429 L433 K434 L444	D427-Q431 VanDerWaalsContact CG-NE2 3.32Å; D427-Q431 WeakPolarHBondContact O-CB 3.45Å; D427-Q431 VanDerWaalsContact O-CG 3.27Å; D427-Q431 WeakPolarHBondContact O-CG 3.45Å; D427-Q431 PolarHBondContact O-N 2.95Å; D427-Q431 PolarHBondContact OD2-NE2 2.92Å; F428-Q431 PolarHBondContact O-N 3.17Å; L429-Q431 PolarHBondContact O-N 2.89Å; Q431-L433 PolarHBondContact O-N 3.2Å; Q431-K434 PolarHBondContact O-N 2.99Å; Q431-L444 HydrophobicContact CB-CD1 3.82Å; Q431-L444 HydrophobicContact CB-CD2 3.98Å
432	A	97.1	Very high	96	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-31.1	-179.6	0	0	0	0	0	112	S133 F428 L429 K434 L444 Y445	S133-A432 PolarHBondContact OG-O 3Å; F428-A432 WeakPolarHBondContact O-CB 3.32Å; F428-A432 PolarHBondContact O-N 3.14Å; L429-A432 PolarHBondContact O-N 3.46Å; A432-K434 VanDerWaalsContact C-N 3.34Å; A432-L444 HydrophobicContact CB-CB 3.99Å; A432-L444 HydrophobicContact CB-CD1 4.21Å; A432-Y445 HydrophobicContact CB-CD1 4.16Å; A432-Y445 HydrophobicContact CB-CD2 4.4Å; A432-Y445 HydrophobicContact CB-CE1 3.76Å; A432-Y445 HydrophobicContact CB-CE2 4.07Å; A432-Y445 HydrophobicContact CB-CG 4.46Å
433	L	95.1	Very high	96	Very high	27 Å²	27	60.3 Å²	60.3	14%	0.141	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.2	175.4	-67.6	176.1	0	0	0	113.9	P131 F132 S133 A134 D398 L429 Q431	P131-L433 CarbonylContact C-O 3.48Å; F132-L433 CarbonylContact C-O 3.56Å; F132-L433 VanDerWaalsContact CA-O 3.24Å; F132-L433 WeakPolarHBondContact CA-O 3.45Å; F132-L433 HydrophobicContact CD2-CB 4.13Å; F132-L433 HydrophobicContact CD2-CD1 3.75Å; F132-L433 HydrophobicContact CD2-CD2 3.47Å; F132-L433 VanDerWaalsContact CD2-CD2 3.47Å; F132-L433 HydrophobicContact CD2-CG 3.96Å; F132-L433 HydrophobicContact CE2-CD1 3.55Å; F132-L433 HydrophobicContact CE2-CD2 3.23Å; F132-L433 HydrophobicContact CE2-CG 3.92Å; F132-L433 HydrophobicContact CG-CD2 4.37Å; F132-L433 HydrophobicContact CZ-CD2 3.97Å; F132-L433 PolarHBondContact N-O 3.03Å; S133-L433 PolarHBondContact N-O 2.72Å; A134-L433 HydrophobicContact CB-CD2 4.16Å; D398-L433 HydrophobicContact CB-CD2 3.92Å; L429-L433 WeakPolarHBondContact O-CG 3.44Å; L429-L433 PolarHBondContact O-N 3.05Å; Q431-L433 PolarHBondContact O-N 3.2Å
434	K	94.1	Very high	96	Very high	137 Å²	137	52.2 Å²	52.2	60%	0.596	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-3.7	-178.1	-70	173.9	-178.8	179.1	0	114.6	P131 A430 Q431 A432	P131-K434 HydrophobicContact CB-CG 4.5Å; A430-K434 WeakPolarHBondContact O-CG 3.33Å; Q431-K434 PolarHBondContact O-N 2.99Å; A432-K434 VanDerWaalsContact C-N 3.34Å
435	T	91	Very high	96	Very high	33 Å²	33	47 Å²	47	20%	0.202	25%	0.252	C	S	.	.			trans	-123.2	141.8	-179.6	-178.5	0	0	0	0	111.5	S133 D437 E440 K441 L444	S133-T435 WeakPolarHBondContact CB-O 3.35Å; S133-T435 PolarHBondContact OG-O 3.24Å; T435-D437 PolarHBondContact OG1-N 2.87Å; T435-E440 HydrophobicContact CG2-CB 4.21Å; T435-E440 HydrophobicContact CG2-CG 3.96Å; T435-K441 HydrophobicContact CG2-CG 3.87Å; T435-K441 WeakPolarHBondContact O-CD 3.37Å; T435-L444 HydrophobicContact CG2-CD1 4.11Å
436	N	85.7	Confident	96	Very high	69 Å²	69	51 Å²	51	37%	0.369	27%	0.27	S	S	.	.			trans	-101.4	-1.9	174.1	-70	7.4	0	0	0	112.6	S133 P438	S133-N436 VanDerWaalsContact CB-OD1 3.26Å; S133-N436 WeakPolarHBondContact CB-OD1 3.34Å; N436-P438 VanDerWaalsContact O-CD 3.27Å; N436-P438 WeakPolarHBondContact O-CD 3.36Å
437	D	90.4	Very high	96	Very high	81 Å²	81	50.5 Å²	50.5	43%	0.433	27%	0.271	S	S	.	.			trans	-71.3	116.3	175	173.9	12.1	0	0	0	110.6	T435 A439 E440 K441	T435-D437 PolarHBondContact OG1-N 2.87Å; D437-A439 PolarHBondContact O-N 2.89Å; D437-A439 WeakPolarHBondContact OD1-CB 3.48Å; D437-A439 PolarHBondContact OD1-N 2.87Å; D437-E440 HydrophobicContact CB-CB 4.07Å; D437-E440 PolarHBondContact O-N 2.85Å; D437-E440 PolarHBondContact OD2-N 2.79Å; D437-K441 WeakPolarHBondContact O-CG 3.37Å; D437-K441 PolarHBondContact O-N 3.03Å
438	P	91.7	Very high	96	Very high	81 Å²	81	47.1 Å²	47.1	53%	0.526	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-32.7	179.1	-24.5	35.6	0	0	0	114.2	N436 T442	N436-P438 VanDerWaalsContact O-CD 3.27Å; N436-P438 WeakPolarHBondContact O-CD 3.36Å; P438-T442 WeakPolarHBondContact O-CB 3.49Å; P438-T442 PolarHBondContact O-N 2.83Å; P438-T442 PolarHBondContact O-OG1 2.97Å
439	A	96.9	Very high	96	Very high	65 Å²	65	45.5 Å²	45.5	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-68.4	-46.6	179.5	0	0	0	0	0	110.6	D437 T442 R443	D437-A439 PolarHBondContact O-N 2.89Å; D437-A439 WeakPolarHBondContact OD1-CB 3.48Å; D437-A439 PolarHBondContact OD1-N 2.87Å; A439-T442 WeakPolarHBondContact O-CB 3.41Å; A439-T442 PolarHBondContact O-N 2.81Å; A439-R443 PolarHBondContact O-N 3.41Å
440	E	97.5	Very high	96.1	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-40.3	178.1	-171.8	61.1	-175.3	0	0	112.2	T435 D437 T442 R443 L444	T435-E440 HydrophobicContact CG2-CB 4.21Å; T435-E440 HydrophobicContact CG2-CG 3.96Å; D437-E440 HydrophobicContact CB-CB 4.07Å; D437-E440 PolarHBondContact O-N 2.85Å; D437-E440 PolarHBondContact OD2-N 2.79Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.01Å; E440-R443 WeakPolarHBondContact O-CB 3.43Å; E440-R443 PolarHBondContact O-N 2.86Å; E440-R443 IonicContact OE1-CZ 3.82Å; E440-R443 IonicContact OE1-NE 2.64Å; E440-R443 PolarHBondContact OE1-NE 2.92Å; E440-R443 IonicContact OE1-NH2 2.81Å; E440-R443 PolarHBondContact OE1-NH2 2.95Å; E440-R443 IonicContact OE2-CZ 2.57Å; E440-R443 IonicContact OE2-NE 3.16Å; E440-R443 PolarHBondContact OE2-NE 2.64Å; E440-R443 IonicContact OE2-NH2 3.19Å; E440-L444 HydrophobicContact CG-CD1 3.9Å; E440-L444 HydrophobicContact CG-CG 4.43Å; E440-L444 WeakPolarHBondContact O-CB 3.34Å; E440-L444 VanDerWaalsContact O-CG 3.31Å; E440-L444 WeakPolarHBondContact O-CG 3.23Å; E440-L444 PolarHBondContact O-N 3.11Å
441	K	96.3	Very high	96.2	Very high	8 Å²	8	47 Å²	47	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-44.3	171.9	-70	-168.9	67.2	164.6	0	112	S133 Y301 T435 D437 R443 L444 Y445	S133-K441 VanDerWaalsContact OG-CE 3.3Å; S133-K441 WeakPolarHBondContact OG-CE 3.49Å; S133-K441 PolarHBondContact OG-NZ 2.79Å; Y301-K441 HydrophobicContact CD1-CB 4.38Å; Y301-K441 HydrophobicContact CE1-CB 3.91Å; T435-K441 HydrophobicContact CG2-CG 3.87Å; T435-K441 WeakPolarHBondContact O-CD 3.37Å; D437-K441 WeakPolarHBondContact O-CG 3.37Å; D437-K441 PolarHBondContact O-N 3.03Å; K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 3.2Å; K441-L444 PolarHBondContact O-N 2.83Å; K441-Y445 HydrophobicContact CB-CD2 4.41Å; K441-Y445 HydrophobicContact CB-CE2 4.39Å; K441-Y445 WeakPolarHBondContact O-CD2 3.3Å; K441-Y445 PolarHBondContact O-N 2.93Å
442	T	97.5	Very high	96.3	Very high	59 Å²	59	43.9 Å²	43.9	36%	0.362	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-45	177	-57.8	0	0	0	0	111.1	Y301 P438 A439 E440 K446	Y301-T442 WeakPolarHBondContact CD1-OG1 3.25Å; P438-T442 WeakPolarHBondContact O-CB 3.49Å; P438-T442 PolarHBondContact O-N 2.83Å; P438-T442 PolarHBondContact O-OG1 2.97Å; A439-T442 WeakPolarHBondContact O-CB 3.41Å; A439-T442 PolarHBondContact O-N 2.81Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.01Å; T442-K446 WeakPolarHBondContact O-CB 3.5Å; T442-K446 PolarHBondContact O-N 2.75Å
443	R	98.7	Very high	96.3	Very high	120 Å²	120	45.3 Å²	45.3	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-47.9	178.2	-169.9	-170.2	73	77.2	-1.4	111.9	A439 E440 K441 K446 A447	A439-R443 PolarHBondContact O-N 3.41Å; E440-R443 WeakPolarHBondContact O-CB 3.43Å; E440-R443 PolarHBondContact O-N 2.86Å; E440-R443 IonicContact OE1-CZ 3.82Å; E440-R443 IonicContact OE1-NE 2.64Å; E440-R443 PolarHBondContact OE1-NE 2.92Å; E440-R443 IonicContact OE1-NH2 2.81Å; E440-R443 PolarHBondContact OE1-NH2 2.95Å; E440-R443 IonicContact OE2-CZ 2.57Å; E440-R443 IonicContact OE2-NE 3.16Å; E440-R443 PolarHBondContact OE2-NE 2.64Å; E440-R443 IonicContact OE2-NH2 3.19Å; K441-R443 VanDerWaalsContact C-N 3.34Å; K441-R443 PolarHBondContact O-N 3.2Å; R443-K446 PolarHBondContact O-N 3.36Å; R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 2.97Å
444	L	98.8	Very high	96.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-49.2	-176.1	-70.6	166.4	0	0	0	112.2	F428 Q431 A432 T435 E440 K441 K446 A447 A448	F428-L444 HydrophobicContact CB-CD2 4.45Å; F428-L444 HydrophobicContact CD1-CD2 3.75Å; F428-L444 HydrophobicContact CG-CD2 4.46Å; Q431-L444 HydrophobicContact CB-CD1 3.82Å; Q431-L444 HydrophobicContact CB-CD2 3.98Å; A432-L444 HydrophobicContact CB-CB 3.99Å; A432-L444 HydrophobicContact CB-CD1 4.21Å; T435-L444 HydrophobicContact CG2-CD1 4.11Å; E440-L444 HydrophobicContact CG-CD1 3.9Å; E440-L444 HydrophobicContact CG-CG 4.43Å; E440-L444 WeakPolarHBondContact O-CB 3.34Å; E440-L444 VanDerWaalsContact O-CG 3.31Å; E440-L444 WeakPolarHBondContact O-CG 3.23Å; E440-L444 PolarHBondContact O-N 3.11Å; K441-L444 PolarHBondContact O-N 2.83Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 2.95Å; L444-A447 PolarHBondContact O-N 3.2Å; L444-A448 PolarHBondContact O-N 3.15Å
445	Y	98.8	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-33.7	177	-72.2	-54.8	0	0	0	112.3	Y301 E396 A397 D398 L401 L429 A432 K441 Q449	Y301-Y445 HydrophobicContact CD1-CD2 4.42Å; Y301-Y445 AromaticContact CD2-CD2 3.71Å; Y301-Y445 HydrophobicContact CD2-CD2 3.71Å; Y301-Y445 AromaticContact CD2-CE2 3.65Å; Y301-Y445 HydrophobicContact CD2-CE2 3.65Å; Y301-Y445 HydrophobicContact CE2-CE2 4.19Å; Y301-Y445 AromaticContact CG-CD2 3.64Å; Y301-Y445 HydrophobicContact CG-CD2 3.64Å; Y301-Y445 HydrophobicContact CG-CE2 4.08Å; E396-Y445 PolarHBondContact OE2-OH 2.89Å; A397-Y445 HydrophobicContact CB-CD1 3.75Å; A397-Y445 HydrophobicContact CB-CD2 3.88Å; A397-Y445 HydrophobicContact CB-CE1 3.9Å; A397-Y445 HydrophobicContact CB-CE2 3.99Å; A397-Y445 HydrophobicContact CB-CG 3.74Å; D398-Y445 HydrophobicContact CB-CE1 4.35Å; D398-Y445 WeakPolarHBondContact CB-OH 3.39Å; D398-Y445 PolarHBondContact N-OH 2.82Å; L401-Y445 HydrophobicContact CD1-CD1 3.83Å; L401-Y445 HydrophobicContact CD1-CE1 4.48Å; L429-Y445 HydrophobicContact CD2-CD1 4.02Å; L429-Y445 HydrophobicContact CD2-CE1 4.05Å; A432-Y445 HydrophobicContact CB-CD1 4.16Å; A432-Y445 HydrophobicContact CB-CD2 4.4Å; A432-Y445 HydrophobicContact CB-CE1 3.76Å; A432-Y445 HydrophobicContact CB-CE2 4.07Å; A432-Y445 HydrophobicContact CB-CG 4.46Å; K441-Y445 HydrophobicContact CB-CD2 4.41Å; K441-Y445 HydrophobicContact CB-CE2 4.39Å; K441-Y445 WeakPolarHBondContact O-CD2 3.3Å; K441-Y445 PolarHBondContact O-N 2.93Å; Y445-Q449 WeakPolarHBondContact O-CB 3.45Å; Y445-Q449 VanDerWaalsContact O-CG 3.32Å; Y445-Q449 WeakPolarHBondContact O-CG 3.13Å; Y445-Q449 PolarHBondContact O-N 3.27Å; Y445-Q449 PolarHBondContact O-NE2 3.44Å
446	K	98.8	Very high	97.1	Very high	84 Å²	84	47.4 Å²	47.4	37%	0.365	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-49.5	172.9	177.6	174.4	-166.4	-53.4	0	111.3	Q303 T442 R443 L444 A448 Q449 D450	Q303-K446 HydrophobicContact CG-CB 3.9Å; Q303-K446 HydrophobicContact CG-CG 3.84Å; T442-K446 WeakPolarHBondContact O-CB 3.5Å; T442-K446 PolarHBondContact O-N 2.75Å; R443-K446 PolarHBondContact O-N 3.36Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 2.95Å; K446-A448 VanDerWaalsContact C-N 3.31Å; K446-A448 PolarHBondContact O-N 3.18Å; K446-Q449 PolarHBondContact O-N 3.25Å; K446-D450 IonicContact NZ-OD1 3.82Å; K446-D450 PolarHBondContact NZ-OD1 3.22Å; K446-D450 IonicContact NZ-OD2 2.69Å; K446-D450 PolarHBondContact NZ-OD2 3.31Å; K446-D450 WeakPolarHBondContact O-CB 3.25Å; K446-D450 PolarHBondContact O-N 2.62Å
447	A	98.9	Very high	97.7	Very high	23 Å²	23	44.2 Å²	44.2	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-41.5	179.9	0	0	0	0	0	112.2	F428 R443 L444 I451	F428-A447 HydrophobicContact CD2-CB 3.74Å; F428-A447 HydrophobicContact CE1-CB 4.49Å; F428-A447 HydrophobicContact CE2-CB 3.58Å; F428-A447 HydrophobicContact CG-CB 4.27Å; F428-A447 HydrophobicContact CZ-CB 4Å; R443-A447 WeakPolarHBondContact O-CB 3.4Å; R443-A447 PolarHBondContact O-N 2.97Å; L444-A447 PolarHBondContact O-N 3.2Å; A447-I451 WeakPolarHBondContact O-CG1 3.2Å; A447-I451 PolarHBondContact O-N 3.49Å
448	A	98.9	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-49.4	174.5	0	0	0	0	0	112.2	V425 F428 L429 L444 K446 D450 I451 I452	V425-A448 HydrophobicContact CG1-CB 4.37Å; F428-A448 HydrophobicContact CB-CB 4.11Å; F428-A448 HydrophobicContact CD2-CB 4.45Å; L429-A448 HydrophobicContact CD2-CB 4.29Å; L444-A448 PolarHBondContact O-N 3.15Å; K446-A448 VanDerWaalsContact C-N 3.31Å; K446-A448 PolarHBondContact O-N 3.18Å; A448-D450 VanDerWaalsContact C-N 3.33Å; A448-D450 PolarHBondContact O-N 2.85Å; A448-I451 PolarHBondContact O-N 3.2Å; A448-I452 WeakPolarHBondContact O-CD1 3.45Å; A448-I452 VanDerWaalsContact O-CG1 3.25Å; A448-I452 WeakPolarHBondContact O-CG1 3.1Å; A448-I452 PolarHBondContact O-N 3.12Å
449	Q	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-36.2	-178.9	-74.4	170.3	100.9	0	0	112.6	V294 Y301 Q303 Y305 L401 Y445 K446 I451 I452 W453	V294-Q449 HydrophobicContact CG2-CG 4.35Å; Y301-Q449 PolarHBondContact O-NE2 2.87Å; Q303-Q449 HydrophobicContact CB-CB 4.24Å; Q303-Q449 HydrophobicContact CG-CB 4.27Å; Y305-Q449 WeakPolarHBondContact OH-CB 3.42Å; Y305-Q449 PolarHBondContact OH-O 2.61Å; L401-Q449 HydrophobicContact CD1-CG 3.88Å; L401-Q449 HydrophobicContact CD2-CG 3.87Å; Y445-Q449 WeakPolarHBondContact O-CB 3.45Å; Y445-Q449 VanDerWaalsContact O-CG 3.32Å; Y445-Q449 WeakPolarHBondContact O-CG 3.13Å; Y445-Q449 PolarHBondContact O-N 3.27Å; Y445-Q449 PolarHBondContact O-NE2 3.44Å; K446-Q449 PolarHBondContact O-N 3.25Å; Q449-I451 VanDerWaalsContact C-N 3.34Å; Q449-I451 PolarHBondContact O-N 2.8Å; Q449-I452 PolarHBondContact O-N 3.18Å; Q449-W453 WeakPolarHBondContact O-CB 3.5Å; Q449-W453 PolarHBondContact O-N 2.94Å
450	D	98.9	Very high	98.6	Very high	49 Å²	49	33.7 Å²	33.7	26%	0.262	16%	0.161	S	C	.	.	H	α-helix	trans	-61	-44.8	178.5	-69.2	-10.6	0	0	0	110.7	Y305 K446 A448 Q454	Y305-D450 WeakPolarHBondContact CE1-OD1 3.31Å; Y305-D450 WeakPolarHBondContact OH-CA 3.22Å; Y305-D450 PolarHBondContact OH-N 3.27Å; Y305-D450 PolarHBondContact OH-OD1 3.37Å; K446-D450 IonicContact NZ-OD1 3.82Å; K446-D450 PolarHBondContact NZ-OD1 3.22Å; K446-D450 IonicContact NZ-OD2 2.69Å; K446-D450 PolarHBondContact NZ-OD2 3.31Å; K446-D450 WeakPolarHBondContact O-CB 3.25Å; K446-D450 PolarHBondContact O-N 2.62Å; A448-D450 VanDerWaalsContact C-N 3.33Å; A448-D450 PolarHBondContact O-N 2.85Å; D450-Q454 WeakPolarHBondContact O-CB 3.18Å; D450-Q454 PolarHBondContact O-N 2.87Å; D450-Q454 VanDerWaalsContact O-N 3.11Å
451	I	98.9	Very high	98.6	Very high	28 Å²	28	31.1 Å²	31.1	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-49.3	176.1	-64.2	172	0	0	0	110.6	N422 Q424 V425 F428 A447 A448 Q449 W453 Q454 E455	N422-I451 WeakPolarHBondContact ND2-CG2 3.36Å; Q424-I451 HydrophobicContact CB-CD1 3.82Å; V425-I451 HydrophobicContact CG2-CB 3.92Å; V425-I451 HydrophobicContact CG2-CD1 4.38Å; V425-I451 HydrophobicContact CG2-CG2 3.74Å; F428-I451 HydrophobicContact CD2-CD1 4.42Å; F428-I451 HydrophobicContact CE2-CD1 3.9Å; A447-I451 WeakPolarHBondContact O-CG1 3.2Å; A447-I451 PolarHBondContact O-N 3.49Å; A448-I451 PolarHBondContact O-N 3.2Å; Q449-I451 VanDerWaalsContact C-N 3.34Å; Q449-I451 PolarHBondContact O-N 2.8Å; I451-W453 VanDerWaalsContact C-N 3.31Å; I451-W453 PolarHBondContact O-N 3.48Å; I451-Q454 PolarHBondContact O-N 3.02Å; I451-E455 HydrophobicContact CG2-CG 4.24Å; I451-E455 WeakPolarHBondContact O-CB 3.34Å; I451-E455 WeakPolarHBondContact O-CG 3.45Å; I451-E455 PolarHBondContact O-N 3.3Å
452	I	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-45.6	-178.5	-66.4	161.5	0	0	0	110.4	V294 L401 F405 Y420 V425 A448 Q449 Q454 E455 S456 P457	V294-I452 HydrophobicContact CG1-CG2 4Å; V294-I452 HydrophobicContact CG2-CG2 4.13Å; L401-I452 HydrophobicContact CD2-CD1 3.98Å; F405-I452 HydrophobicContact CB-CD1 4Å; F405-I452 HydrophobicContact CD1-CG2 3.86Å; F405-I452 HydrophobicContact CD2-CD1 3.84Å; F405-I452 HydrophobicContact CD2-CG2 4.39Å; F405-I452 HydrophobicContact CE1-CG2 3.61Å; F405-I452 HydrophobicContact CE2-CD1 4.44Å; F405-I452 HydrophobicContact CE2-CG2 4.18Å; F405-I452 HydrophobicContact CG-CD1 3.87Å; F405-I452 HydrophobicContact CG-CG1 4.35Å; F405-I452 HydrophobicContact CG-CG2 4.23Å; F405-I452 HydrophobicContact CZ-CG2 3.76Å; Y420-I452 HydrophobicContact CE1-CG1 4.07Å; V425-I452 HydrophobicContact CG1-CD1 3.87Å; V425-I452 HydrophobicContact CG1-CG1 4.09Å; V425-I452 HydrophobicContact CG2-CG1 3.98Å; A448-I452 WeakPolarHBondContact O-CD1 3.45Å; A448-I452 VanDerWaalsContact O-CG1 3.25Å; A448-I452 WeakPolarHBondContact O-CG1 3.1Å; A448-I452 PolarHBondContact O-N 3.12Å; Q449-I452 PolarHBondContact O-N 3.18Å; I452-Q454 PolarHBondContact O-N 2.69Å; I452-E455 PolarHBondContact O-N 2.7Å; I452-S456 PolarHBondContact O-N 3.19Å; I452-S456 VanDerWaalsContact O-N 3.09Å; I452-P457 HydrophobicContact CG2-CG 4.07Å; I452-P457 WeakPolarHBondContact O-CD 3.2Å
453	W	98.8	Very high	98.7	Very high	30 Å²	30	28.5 Å²	28.5	11%	0.114	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-45.1	179	-175.7	-98.6	0	0	0	111.6	G293 V294 Y305 W308 Q449 I451 S456 P460	G293-W453 VanDerWaalsContact CA-CZ3 3.48Å; V294-W453 HydrophobicContact CG1-CE3 4.24Å; Y305-W453 AromaticContact CD1-CD1 3.92Å; Y305-W453 HydrophobicContact CD1-CG 4.15Å; Y305-W453 HydrophobicContact CD2-CB 3.98Å; Y305-W453 AromaticContact CD2-CD1 3.99Å; Y305-W453 AromaticContact CD2-CD2 3.46Å; Y305-W453 HydrophobicContact CD2-CD2 3.46Å; Y305-W453 VanDerWaalsContact CD2-CD2 3.46Å; Y305-W453 AromaticContact CD2-CE2 3.92Å; Y305-W453 AromaticContact CD2-CE3 3.78Å; Y305-W453 HydrophobicContact CD2-CE3 3.78Å; Y305-W453 AromaticContact CD2-CG 3.54Å; Y305-W453 HydrophobicContact CD2-CG 3.54Å; Y305-W453 HydrophobicContact CD2-CZ3 4.45Å; Y305-W453 HydrophobicContact CE1-CB 4.37Å; Y305-W453 HydrophobicContact CE1-CG 4.45Å; Y305-W453 HydrophobicContact CE2-CB 3.79Å; Y305-W453 HydrophobicContact CE2-CD2 4.14Å; Y305-W453 HydrophobicContact CE2-CE3 4.35Å; Y305-W453 AromaticContact CE2-CG 3.9Å; Y305-W453 HydrophobicContact CE2-CG 3.9Å; Y305-W453 HydrophobicContact CG-CB 4.37Å; Y305-W453 AromaticContact CG-CD1 3.65Å; Y305-W453 AromaticContact CG-CD2 3.82Å; Y305-W453 HydrophobicContact CG-CD2 3.82Å; Y305-W453 AromaticContact CG-CE2 3.87Å; Y305-W453 AromaticContact CG-CG 3.7Å; Y305-W453 HydrophobicContact CG-CG 3.7Å; Y305-W453 AromaticContact CG-NE1 3.76Å; W308-W453 AromaticContact CD1-CH2 3.5Å; W308-W453 AromaticContact CD1-CZ2 3.34Å; W308-W453 HydrophobicContact CG-CZ2 4.37Å; W308-W453 AromaticContact NE1-CE2 3.67Å; W308-W453 AromaticContact NE1-CH2 3.58Å; W308-W453 AromaticContact NE1-CZ2 3.21Å; Q449-W453 WeakPolarHBondContact O-CB 3.5Å; Q449-W453 PolarHBondContact O-N 2.94Å; I451-W453 VanDerWaalsContact C-N 3.31Å; I451-W453 PolarHBondContact O-N 3.48Å; W453-S456 PolarHBondContact O-N 2.85Å; W453-S456 PolarHBondContact O-OG 2.85Å; W453-S456 VanDerWaalsContact O-OG 3.07Å; W453-P460 HydrophobicContact CE3-CG 4.34Å; W453-P460 HydrophobicContact CZ3-CB 4.17Å; W453-P460 HydrophobicContact CZ3-CG 3.73Å
454	Q	98.5	Very high	98.5	Very high	163 Å²	163	24 Å²	24	76%	0.762	12%	0.118	S	C	*	.	H	α-helix	trans	-67.8	-38.8	-179.4	-169.5	174.6	5.2	0	0	112.8	D450 I451 I452 S456	D450-Q454 WeakPolarHBondContact O-CB 3.18Å; D450-Q454 PolarHBondContact O-N 2.87Å; D450-Q454 VanDerWaalsContact O-N 3.11Å; I451-Q454 PolarHBondContact O-N 3.02Å; I452-Q454 PolarHBondContact O-N 2.69Å; Q454-S456 VanDerWaalsContact C-N 3.28Å; Q454-S456 PolarHBondContact O-N 3.38Å
455	E	98.8	Very high	98.2	Very high	69 Å²	69	27.7 Å²	27.7	32%	0.322	13%	0.134	S	C	.	.	H	α-helix	trans	-79.3	-12.4	-179.9	-68.1	-171.8	163.7	0	0	113.5	R267 Y420 N422 I451 I452	R267-E455 PolarHBondContact NE-O 2.88Å; R267-E455 PolarHBondContact NH2-O 2.87Å; Y420-E455 HydrophobicContact CE2-CB 4.18Å; Y420-E455 WeakPolarHBondContact CE2-OE2 3.3Å; Y420-E455 PolarHBondContact OH-OE2 3.27Å; N422-E455 VanDerWaalsContact ND2-CD 3.32Å; N422-E455 PolarHBondContact ND2-OE1 2.83Å; N422-E455 PolarHBondContact ND2-OE2 3.38Å; I451-E455 HydrophobicContact CG2-CG 4.24Å; I451-E455 WeakPolarHBondContact O-CB 3.34Å; I451-E455 WeakPolarHBondContact O-CG 3.45Å; I451-E455 PolarHBondContact O-N 3.3Å; I452-E455 PolarHBondContact O-N 2.7Å
456	S	98.7	Very high	97.8	Very high	8 Å²	8	28 Å²	28	6%	0.056	14%	0.135	C	C	.	.			trans	47.5	54.2	171.9	-66.7	0	0	0	0	114.2	M254 R267 W308 I452 W453 Q454 W458	M254-S456 WeakPolarHBondContact CE-O 3.26Å; R267-S456 WeakPolarHBondContact CB-O 3.41Å; R267-S456 WeakPolarHBondContact CD-O 3.31Å; R267-S456 PolarHBondContact NE-O 2.79Å; W308-S456 WeakPolarHBondContact CZ2-OG 3.27Å; I452-S456 PolarHBondContact O-N 3.19Å; I452-S456 VanDerWaalsContact O-N 3.09Å; W453-S456 PolarHBondContact O-N 2.85Å; W453-S456 PolarHBondContact O-OG 2.85Å; W453-S456 VanDerWaalsContact O-OG 3.07Å; Q454-S456 VanDerWaalsContact C-N 3.28Å; Q454-S456 PolarHBondContact O-N 3.38Å; S456-W458 PolarHBondContact O-N 2.79Å; S456-W458 VanDerWaalsContact O-N 3.14Å
457	P	98.8	Very high	97.6	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.013	12%	0.119	C	C	.	.	S	Bend	trans	-63.9	-16	172.5	28.9	-34.2	0	0	0	112.3	M254 V256 F405 A418 Y420 I452	M254-P457 PolarHBondContact N-O 3.02Å; M254-P457 VanDerWaalsContact N-O 3.07Å; V256-P457 HydrophobicContact CG1-CB 3.88Å; F405-P457 HydrophobicContact CD1-CG 4.14Å; F405-P457 HydrophobicContact CE1-CG 3.86Å; A418-P457 HydrophobicContact CB-CB 4.17Å; Y420-P457 HydrophobicContact CD2-CB 3.69Å; Y420-P457 HydrophobicContact CD2-CG 3.94Å; Y420-P457 HydrophobicContact CE2-CB 4.45Å; Y420-P457 HydrophobicContact CE2-CG 4.32Å; Y420-P457 HydrophobicContact CG-CB 3.9Å; Y420-P457 HydrophobicContact CG-CG 4.06Å; I452-P457 HydrophobicContact CG2-CG 4.07Å; I452-P457 WeakPolarHBondContact O-CD 3.2Å
458	W	98.9	Very high	97.5	Very high	3 Å²	3	23 Å²	23	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	167.1	-178.7	-71.4	0.2	0	0	0	112.8	Q249 Y251 I252 N271 V294 L404 F405 S456 P460	Q249-W458 HydrophobicContact CG-CZ3 4.39Å; Y251-W458 HydrophobicContact CD1-CE3 4.09Å; Y251-W458 AromaticContact CD1-CH2 3.85Å; Y251-W458 HydrophobicContact CD1-CH2 3.85Å; Y251-W458 HydrophobicContact CD1-CZ2 4.32Å; Y251-W458 AromaticContact CD1-CZ3 3.72Å; Y251-W458 HydrophobicContact CD1-CZ3 3.72Å; Y251-W458 AromaticContact CD2-CD2 3.46Å; Y251-W458 HydrophobicContact CD2-CD2 3.46Å; Y251-W458 VanDerWaalsContact CD2-CD2 3.46Å; Y251-W458 AromaticContact CD2-CE2 3.44Å; Y251-W458 VanDerWaalsContact CD2-CE2 3.44Å; Y251-W458 AromaticContact CD2-CE3 3.78Å; Y251-W458 HydrophobicContact CD2-CE3 3.78Å; Y251-W458 AromaticContact CD2-CG 3.93Å; Y251-W458 HydrophobicContact CD2-CG 3.93Å; Y251-W458 HydrophobicContact CD2-CH2 4.06Å; Y251-W458 AromaticContact CD2-CZ2 3.74Å; Y251-W458 HydrophobicContact CD2-CZ2 3.74Å; Y251-W458 HydrophobicContact CD2-CZ3 4.08Å; Y251-W458 AromaticContact CD2-NE1 3.9Å; Y251-W458 AromaticContact CE1-CH2 3.57Å; Y251-W458 HydrophobicContact CE1-CH2 3.57Å; Y251-W458 AromaticContact CE1-CZ2 3.91Å; Y251-W458 HydrophobicContact CE1-CZ2 3.91Å; Y251-W458 AromaticContact CE1-CZ3 3.95Å; Y251-W458 HydrophobicContact CE1-CZ3 3.95Å; Y251-W458 AromaticContact CE2-CD2 3.91Å; Y251-W458 HydrophobicContact CE2-CD2 3.91Å; Y251-W458 AromaticContact CE2-CE2 3.36Å; Y251-W458 HydrophobicContact CE2-CE3 4.35Å; Y251-W458 AromaticContact CE2-CH2 3.83Å; Y251-W458 HydrophobicContact CE2-CH2 3.83Å; Y251-W458 AromaticContact CE2-CZ2 3.29Å; Y251-W458 HydrophobicContact CE2-CZ2 3.29Å; Y251-W458 HydrophobicContact CE2-CZ3 4.32Å; Y251-W458 AromaticContact CE2-NE1 3.77Å; Y251-W458 AromaticContact CG-CD2 3.83Å; Y251-W458 HydrophobicContact CG-CD2 3.83Å; Y251-W458 AromaticContact CG-CE3 3.62Å; Y251-W458 HydrophobicContact CG-CE3 3.62Å; Y251-W458 HydrophobicContact CG-CH2 4.06Å; Y251-W458 HydrophobicContact CG-CZ2 4.23Å; Y251-W458 AromaticContact CG-CZ3 3.76Å; Y251-W458 HydrophobicContact CG-CZ3 3.76Å; Y251-W458 AromaticContact CZ-CE2 3.95Å; Y251-W458 AromaticContact CZ-CH2 3.55Å; Y251-W458 AromaticContact CZ-CZ2 3.36Å; I252-W458 CarbonylContact O-C 3.57Å; I252-W458 VanDerWaalsContact O-CA 3.29Å; I252-W458 WeakPolarHBondContact O-CA 3.26Å; N271-W458 PolarHBondContact ND2-O 3.07Å; V294-W458 HydrophobicContact CB-CE3 4.3Å; V294-W458 HydrophobicContact CB-CZ3 4.18Å; V294-W458 HydrophobicContact CG1-CE3 4.13Å; L404-W458 HydrophobicContact CB-CH2 3.98Å; L404-W458 HydrophobicContact CB-CZ2 3.78Å; L404-W458 HydrophobicContact CD1-CH2 3.55Å; L404-W458 HydrophobicContact CD1-CZ2 4.1Å; L404-W458 HydrophobicContact CG-CH2 4.26Å; L404-W458 HydrophobicContact CG-CZ2 4.33Å; F405-W458 AromaticContact CE1-CD2 3.72Å; F405-W458 HydrophobicContact CE1-CD2 3.72Å; F405-W458 AromaticContact CE1-CE2 3.42Å; F405-W458 VanDerWaalsContact CE1-CE2 3.42Å; F405-W458 HydrophobicContact CE1-CE3 4.16Å; F405-W458 HydrophobicContact CE1-CG 4.21Å; F405-W458 HydrophobicContact CE1-CH2 4.08Å; F405-W458 AromaticContact CE1-CZ2 3.66Å; F405-W458 HydrophobicContact CE1-CZ2 3.66Å; F405-W458 HydrophobicContact CE1-CZ3 4.32Å; F405-W458 AromaticContact CE1-NE1 3.7Å; F405-W458 AromaticContact CE2-CH2 3.73Å; F405-W458 HydrophobicContact CE2-CH2 3.73Å; F405-W458 HydrophobicContact CE2-CZ2 4.04Å; F405-W458 HydrophobicContact CE2-CZ3 4.03Å; F405-W458 AromaticContact CZ-CD2 3.6Å; F405-W458 HydrophobicContact CZ-CD2 3.6Å; F405-W458 AromaticContact CZ-CE2 3.48Å; F405-W458 VanDerWaalsContact CZ-CE2 3.48Å; F405-W458 AromaticContact CZ-CE3 3.55Å; F405-W458 HydrophobicContact CZ-CE3 3.55Å; F405-W458 HydrophobicContact CZ-CG 4.48Å; F405-W458 AromaticContact CZ-CH2 3.29Å; F405-W458 HydrophobicContact CZ-CH2 3.29Å; F405-W458 AromaticContact CZ-CZ2 3.37Å; F405-W458 HydrophobicContact CZ-CZ2 3.37Å; F405-W458 AromaticContact CZ-CZ3 3.39Å; F405-W458 HydrophobicContact CZ-CZ3 3.39Å; S456-W458 PolarHBondContact O-N 2.79Å; S456-W458 VanDerWaalsContact O-N 3.14Å; W458-P460 HydrophobicContact CB-CG 4.34Å
459	I	98.9	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	93.7	152.7	-50.4	173.4	0	0	0	106.6	Y251 I252 M254 L270 I274 M385 L461	Y251-I459 WeakPolarHBondContact CA-O 3.28Å; I252-I459 HydrophobicContact CB-CB 4.25Å; I252-I459 PolarHBondContact N-O 2.94Å; I252-I459 PolarHBondContact O-N 3.34Å; M254-I459 HydrophobicContact CE-CG1 3.9Å; M254-I459 HydrophobicContact SD-CD1 4.36Å; M254-I459 HydrophobicContact SD-CG1 4.17Å; L270-I459 HydrophobicContact CB-CD1 3.74Å; L270-I459 HydrophobicContact CB-CG1 4.41Å; I274-I459 HydrophobicContact CG1-CG2 4.06Å; M385-I459 HydrophobicContact CE-CD1 4.15Å; I459-L461 HydrophobicContact CG2-CD2 3.9Å; I459-L461 PolarHBondContact O-N 3.46Å
460	P	98.8	Very high	97.4	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	121.1	173.7	-19.4	33.6	0	0	0	108.2	R276 A291 V294 W453 W458	R276-P460 VanDerWaalsContact CZ-O 3.27Å; R276-P460 PolarHBondContact NE-O 3.05Å; R276-P460 PolarHBondContact NH2-O 2.97Å; A291-P460 HydrophobicContact CB-CB 3.87Å; V294-P460 HydrophobicContact CG1-CG 4.12Å; W453-P460 HydrophobicContact CE3-CG 4.34Å; W453-P460 HydrophobicContact CZ3-CB 4.17Å; W453-P460 HydrophobicContact CZ3-CG 3.73Å; W458-P460 HydrophobicContact CB-CG 4.34Å
461	L	98.7	Very high	97.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-69.9	-171.8	-65.8	177	0	0	0	111	R250 I252 I274 L279 A291 V344 Y387 I459	R250-L461 HydrophobicContact CB-CB 4.42Å; R250-L461 WeakPolarHBondContact O-CB 3.36Å; R250-L461 PolarHBondContact O-N 2.93Å; I252-L461 HydrophobicContact CD1-CD1 4.1Å; I252-L461 HydrophobicContact CD1-CD2 4.31Å; I252-L461 HydrophobicContact CG1-CD1 4Å; I274-L461 HydrophobicContact CG2-CD2 4.11Å; L279-L461 HydrophobicContact CD2-CB 4.02Å; L279-L461 HydrophobicContact CD2-CD1 4.31Å; L279-L461 HydrophobicContact CD2-CD2 3.98Å; L279-L461 HydrophobicContact CD2-CG 4.33Å; A291-L461 PolarHBondContact N-O 3.39Å; A291-L461 VanDerWaalsContact N-O 3.08Å; V344-L461 HydrophobicContact CG1-CD1 4Å; Y387-L461 HydrophobicContact CD2-CD1 3.8Å; Y387-L461 HydrophobicContact CE2-CD1 3.85Å; I459-L461 HydrophobicContact CG2-CD2 3.9Å; I459-L461 PolarHBondContact O-N 3.46Å
462	V	98.2	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.9	-173.2	-59.7	0	0	0	0	111	R250 L279 V280 F284 A288 T289	R250-V462 HydrophobicContact CB-CG2 3.73Å; R250-V462 HydrophobicContact CG-CG2 4.04Å; R250-V462 PolarHBondContact N-O 3.48Å; R250-V462 PolarHBondContact O-N 2.99Å; L279-V462 HydrophobicContact CD2-CG1 4.29Å; V280-V462 HydrophobicContact CG2-CB 4.49Å; V280-V462 HydrophobicContact CG2-CG1 3.51Å; F284-V462 HydrophobicContact CD2-CG2 4.22Å; F284-V462 HydrophobicContact CE1-CG2 4.19Å; F284-V462 HydrophobicContact CE2-CG1 4.42Å; F284-V462 HydrophobicContact CE2-CG2 3.62Å; F284-V462 HydrophobicContact CZ-CG2 3.61Å; A288-V462 HydrophobicContact CB-CB 4.05Å; A288-V462 HydrophobicContact CB-CG1 4.44Å; A288-V462 HydrophobicContact CB-CG2 4.12Å; T289-V462 CarbonylContact O-C 3.58Å; T289-V462 WeakPolarHBondContact O-CA 3.44Å; T289-V462 VanDerWaalsContact O-CB 3.24Å; T289-V462 WeakPolarHBondContact O-CB 3.39Å
463	V	96.7	Very high	97.3	Very high	12 Å²	12	30.6 Å²	30.6	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.8	158.9	-179.1	0	0	0	0	107	A288 T289 P296	A288-V463 CarbonylContact C-O 3.52Å; A288-V463 VanDerWaalsContact CA-O 3.29Å; A288-V463 WeakPolarHBondContact CA-O 3.34Å; A288-V463 WeakPolarHBondContact CB-O 3.34Å; T289-V463 PolarHBondContact N-O 2.93Å; T289-V463 PolarHBondContact O-N 3.2Å; P296-V463 HydrophobicContact CB-CG1 4.04Å; P296-V463 HydrophobicContact CB-CG2 4.26Å; P296-V463 HydrophobicContact CG-CG1 4.42Å; P296-V463 HydrophobicContact CG-CG2 4.37Å
464	E	94.3	Very high	97.2	Very high	26 Å²	26	29.2 Å²	29.2	12%	0.121	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	155.5	-179	-65.6	-174.3	-174.1	0	0	111.5	S246 M248 R250 F284	S246-E464 VanDerWaalsContact CB-O 3.25Å; S246-E464 WeakPolarHBondContact CB-O 3.17Å; S246-E464 PolarHBondContact N-O 3.07Å; S246-E464 PolarHBondContact OG-O 3.27Å; M248-E464 HydrophobicContact CB-CB 4.24Å; M248-E464 HydrophobicContact CB-CG 4.47Å; M248-E464 HydrophobicContact CG-CB 4.41Å; M248-E464 HydrophobicContact CG-CG 4.11Å; M248-E464 PolarHBondContact O-N 3.5Å; R250-E464 HydrophobicContact CG-CG 4.09Å; R250-E464 IonicContact CZ-OE1 2.76Å; R250-E464 IonicContact NE-OE1 3.68Å; R250-E464 PolarHBondContact NE-OE1 3.48Å; R250-E464 IonicContact NH2-OE1 3.49Å; R250-E464 PolarHBondContact NH2-OE1 3.09Å; R250-E464 IonicContact NH2-OE2 2.66Å; F284-E464 HydrophobicContact CD1-CG 4.24Å; F284-E464 HydrophobicContact CE1-CG 3.83Å
465	K	92.6	Very high	97.2	Very high	79 Å²	79	23.8 Å²	23.8	34%	0.343	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	157.2	-65.2	-174.5	177.2	-179.2	0	108.6	S244 Y287 V467	S244-K465 CarbonylContact O-C 3.59Å; S244-K465 VanDerWaalsContact O-CA 3.26Å; S244-K465 WeakPolarHBondContact O-CA 3.46Å; S244-K465 WeakPolarHBondContact O-CB 3.16Å; Y287-K465 PolarHBondContact O-N 3.27Å; K465-V467 PolarHBondContact O-N 2.78Å
466	L	92	Very high	97	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.4	172.8	-54.4	-174.4	0	0	0	108.1	F223 A243 S244 S246 I479 M480 T483	F223-L466 HydrophobicContact CE2-CB 3.94Å; F223-L466 HydrophobicContact CE2-CD2 4.11Å; F223-L466 HydrophobicContact CE2-CG 4.44Å; F223-L466 HydrophobicContact CZ-CD2 4.07Å; A243-L466 CarbonylContact C-O 3.47Å; A243-L466 WeakPolarHBondContact CA-O 3.17Å; S244-L466 PolarHBondContact N-O 3.48Å; S244-L466 PolarHBondContact O-N 3.24Å; S246-L466 VanDerWaalsContact CB-CD2 3.43Å; L466-I479 HydrophobicContact CB-CG1 4.47Å; L466-I479 HydrophobicContact CB-CG2 4.15Å; L466-I479 HydrophobicContact CD1-CG1 3.71Å; L466-I479 HydrophobicContact CD1-CG2 4.23Å; L466-M480 WeakPolarHBondContact CD1-O 3.4Å; L466-T483 HydrophobicContact CD1-CG2 4.27Å; L466-T483 HydrophobicContact CD2-CG2 3.82Å
467	V	94.4	Very high	96.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.024	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.6	174	-167.6	0	0	0	0	107.6	I225 Y227 A230 L241 M242 Y287 K465	I225-V467 HydrophobicContact CB-CB 4.3Å; I225-V467 HydrophobicContact CB-CG1 3.86Å; I225-V467 HydrophobicContact CG2-CG1 4.17Å; I225-V467 PolarHBondContact N-O 3Å; Y227-V467 HydrophobicContact CD1-CG2 4.02Å; Y227-V467 HydrophobicContact CE1-CB 4.48Å; Y227-V467 HydrophobicContact CE1-CG2 3.7Å; A230-V467 HydrophobicContact CB-CG1 4.44Å; L241-V467 HydrophobicContact CD1-CG1 4.07Å; L241-V467 HydrophobicContact CD2-CG1 4.13Å; L241-V467 HydrophobicContact CG-CG1 4.18Å; M242-V467 WeakPolarHBondContact O-CA 3.35Å; Y287-V467 HydrophobicContact CD1-CG2 3.38Å; Y287-V467 HydrophobicContact CD2-CG2 3.98Å; Y287-V467 HydrophobicContact CE1-CG1 4.45Å; Y287-V467 HydrophobicContact CE1-CG2 3.95Å; Y287-V467 HydrophobicContact CE2-CG2 4.46Å; Y287-V467 HydrophobicContact CG-CG2 3.4Å; K465-V467 PolarHBondContact O-N 2.78Å
468	S	95.9	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.4	173.5	58.2	0	0	0	0	109.2	M242	M242-S468 PolarHBondContact N-O 3.28Å; M242-S468 PolarHBondContact O-N 3.28Å
469	A	97.7	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.9	169.2	0	0	0	0	0	110.8	L214 A222 I225 L233 I239 E240 L241	L214-A469 HydrophobicContact CD1-CB 3.48Å; L214-A469 VanDerWaalsContact CD1-CB 3.48Å; A222-A469 PolarHBondContact N-O 3.49Å; A222-A469 PolarHBondContact O-N 3.46Å; A222-A469 VanDerWaalsContact O-N 3.13Å; I225-A469 HydrophobicContact CD1-CB 4.08Å; I225-A469 HydrophobicContact CG1-CB 3.91Å; L233-A469 HydrophobicContact CD1-CB 4.16Å; I239-A469 HydrophobicContact CG2-CB 3.94Å; E240-A469 CarbonylContact O-C 3.51Å; E240-A469 WeakPolarHBondContact O-CA 3.29Å; E240-A469 WeakPolarHBondContact O-CB 3.37Å; L241-A469 HydrophobicContact CB-CB 4.37Å
470	H	98.2	Very high	95.8	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.051	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.4	177.4	60.7	91.5	0	0	0	112	Q220 F221 I239 E240 L474	Q220-H470 CarbonylContact O-C 3.58Å; Q220-H470 WeakPolarHBondContact O-CA 3.47Å; Q220-H470 WeakPolarHBondContact O-CB 3.33Å; F221-H470 HydrophobicContact CB-CB 4.39Å; F221-H470 HydrophobicContact CD2-CB 3.58Å; F221-H470 HydrophobicContact CE2-CB 4.21Å; F221-H470 HydrophobicContact CG-CB 4.3Å; I239-H470 CarbonylContact C-O 3.55Å; I239-H470 WeakPolarHBondContact CA-O 3.31Å; E240-H470 PolarHBondContact N-O 3.02Å; E240-H470 PolarHBondContact O-N 3.45Å; E240-H470 IonicContact OE2-CE1 3.35Å; E240-H470 PolarHBondContact OE2-CE1 2.9Å; E240-H470 IonicContact OE2-NE2 2.78Å; H470-L474 HydrophobicContact CB-CD2 4.36Å; H470-L474 PolarHBondContact ND1-O 3.45Å
471	S	98.3	Very high	95.3	Very high	24 Å²	24	25.9 Å²	25.9	17%	0.168	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	139.7	166	175.5	0	0	0	0	109.3	Q220 N473 L474	Q220-S471 PolarHBondContact O-N 2.91Å; S471-N473 PolarHBondContact O-N 2.99Å; S471-N473 PolarHBondContact OG-N 2.92Å; S471-L474 WeakPolarHBondContact O-CB 3.28Å; S471-L474 PolarHBondContact O-N 3.07Å
472	K	97.7	Very high	94.8	Very high	108 Å²	108	26 Å²	26	47%	0.47	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.7	173.1	-74.5	-172.4	-179.9	172.7	0	113.5	K237 N238 E240 L474	K237-K472 VanDerWaalsContact O-CD 3.31Å; K237-K472 WeakPolarHBondContact O-CD 3.12Å; K237-K472 VanDerWaalsContact O-CE 3.26Å; K237-K472 WeakPolarHBondContact O-CE 3.39Å; K237-K472 PolarHBondContact O-NZ 3.04Å; N238-K472 PolarHBondContact O-N 3.22Å; E240-K472 HydrophobicContact CB-CG 4.25Å; K472-L474 VanDerWaalsContact C-N 3.27Å
473	N	97.6	Very high	94.4	Very high	92 Å²	92	27.5 Å²	27.5	49%	0.492	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.8	173.8	-63	3	0	0	0	111.6	S471 L492 Q493	S471-N473 PolarHBondContact O-N 2.99Å; S471-N473 PolarHBondContact OG-N 2.92Å; N473-L492 HydrophobicContact CB-CD1 4.39Å; N473-L492 WeakPolarHBondContact O-CA 3.44Å; N473-Q493 WeakPolarHBondContact CB-O 3.45Å; N473-Q493 PolarHBondContact O-N 3.23Å
474	L	98.3	Very high	94.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.5	174.4	-178.4	63	0	0	0	109	V11 Q220 F221 H470 S471 K472 F477 D491 L492	V11-L474 HydrophobicContact CG1-CD1 4.37Å; V11-L474 HydrophobicContact CG1-CD2 4.11Å; V11-L474 HydrophobicContact CG2-CD1 3.84Å; Q220-L474 HydrophobicContact CB-CB 4.26Å; Q220-L474 HydrophobicContact CB-CD2 4.07Å; F221-L474 HydrophobicContact CB-CD2 3.83Å; F221-L474 HydrophobicContact CD2-CD2 4.25Å; H470-L474 HydrophobicContact CB-CD2 4.36Å; H470-L474 PolarHBondContact ND1-O 3.45Å; S471-L474 WeakPolarHBondContact O-CB 3.28Å; S471-L474 PolarHBondContact O-N 3.07Å; K472-L474 VanDerWaalsContact C-N 3.27Å; L474-F477 HydrophobicContact CD1-CB 4.23Å; L474-F477 HydrophobicContact CD1-CD2 4.49Å; L474-F477 HydrophobicContact CD2-CB 3.89Å; L474-F477 HydrophobicContact CD2-CD2 4.26Å; L474-F477 HydrophobicContact CD2-CG 4.07Å; L474-F477 HydrophobicContact CG-CB 3.9Å; L474-D491 WeakPolarHBondContact CA-O 3.18Å; L474-L492 HydrophobicContact CB-CD1 4.28Å; L474-L492 HydrophobicContact CD1-CD1 4.41Å
475	T	97.3	Very high	94	Very high	49 Å²	49	25.9 Å²	25.9	30%	0.301	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	159.2	177.3	60.6	0	0	0	0	109.8	F477 A490 D491	T475-F477 VanDerWaalsContact C-N 3.26Å; T475-F477 PolarHBondContact O-N 3.06Å; T475-A490 CarbonylContact O-C 3.57Å; T475-A490 VanDerWaalsContact O-CA 3.29Å; T475-A490 WeakPolarHBondContact O-CA 3.48Å; T475-D491 PolarHBondContact N-O 2.99Å; T475-D491 PolarHBondContact O-N 3.38Å
476	G	95.1	Very high	94	Very high	13 Å²	13	23.3 Å²	23.3	13%	0.134	12%	0.123	C	C	.	.	S	Bend	trans	72.5	14.5	177.2	0	0	0	0	0	115.4	W478	G476-W478 VanDerWaalsContact CA-CH2 3.49Å; G476-W478 VanDerWaalsContact O-CZ3 3.3Å; G476-W478 WeakPolarHBondContact O-CZ3 3.28Å
477	F	95.6	Very high	94.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.124	C	C	.	.			trans	-119.7	116.2	-179	-157	-65.5	0	0	0	110.4	V13 I199 W201 F221 L474 T475 F485 F487 A490	V13-F477 HydrophobicContact CG1-CZ 4.41Å; V13-F477 HydrophobicContact CG2-CE2 4.05Å; V13-F477 HydrophobicContact CG2-CZ 3.76Å; I199-F477 HydrophobicContact CD1-CE2 4.44Å; W201-F477 HydrophobicContact CH2-CE2 4.39Å; W201-F477 AromaticContact CH2-CZ 3.66Å; W201-F477 HydrophobicContact CH2-CZ 3.66Å; W201-F477 AromaticContact CZ3-CZ 3.93Å; W201-F477 HydrophobicContact CZ3-CZ 3.93Å; F221-F477 HydrophobicContact CD1-CD1 4.38Å; F221-F477 HydrophobicContact CD1-CE1 4.09Å; F221-F477 HydrophobicContact CD2-CB 4.41Å; F221-F477 AromaticContact CD2-CD1 3.39Å; F221-F477 HydrophobicContact CD2-CD1 3.39Å; F221-F477 AromaticContact CD2-CE1 3.92Å; F221-F477 HydrophobicContact CD2-CE1 3.92Å; F221-F477 HydrophobicContact CD2-CG 4.12Å; F221-F477 HydrophobicContact CE1-CE1 4.28Å; F221-F477 AromaticContact CE2-CD1 3.57Å; F221-F477 HydrophobicContact CE2-CD1 3.57Å; F221-F477 HydrophobicContact CE2-CE1 4.15Å; F221-F477 AromaticContact CG-CD1 3.87Å; F221-F477 HydrophobicContact CG-CD1 3.87Å; F221-F477 AromaticContact CG-CE1 3.92Å; F221-F477 HydrophobicContact CG-CE1 3.92Å; F221-F477 HydrophobicContact CZ-CD1 4.14Å; F221-F477 HydrophobicContact CZ-CE1 4.32Å; L474-F477 HydrophobicContact CD1-CB 4.23Å; L474-F477 HydrophobicContact CD1-CD2 4.49Å; L474-F477 HydrophobicContact CD2-CB 3.89Å; L474-F477 HydrophobicContact CD2-CD2 4.26Å; L474-F477 HydrophobicContact CD2-CG 4.07Å; L474-F477 HydrophobicContact CG-CB 3.9Å; T475-F477 VanDerWaalsContact C-N 3.26Å; T475-F477 PolarHBondContact O-N 3.06Å; F477-F485 HydrophobicContact CE1-CB 4.09Å; F477-F485 AromaticContact CE1-CD1 3.76Å; F477-F485 HydrophobicContact CE1-CD1 3.76Å; F477-F485 HydrophobicContact CE1-CG 4.15Å; F477-F485 HydrophobicContact CZ-CB 4.35Å; F477-F485 HydrophobicContact CZ-CD1 4.44Å; F477-F485 HydrophobicContact CZ-CG 4.46Å; F477-F487 HydrophobicContact CD2-CB 3.54Å; F477-F487 HydrophobicContact CD2-CG 4.49Å; F477-F487 HydrophobicContact CE2-CB 3.59Å; F477-F487 HydrophobicContact CE2-CD1 4.34Å; F477-F487 HydrophobicContact CE2-CG 4.07Å; F477-F487 HydrophobicContact CG-CB 4.11Å; F477-F487 HydrophobicContact CZ-CB 4.21Å; F477-F487 HydrophobicContact CZ-CD1 4.29Å; F477-F487 HydrophobicContact CZ-CG 4.48Å; F477-A490 HydrophobicContact CB-CB 4.35Å; F477-A490 HydrophobicContact CD2-CB 3.97Å
478	W	92	Very high	94.1	Very high	89 Å²	89	26.1 Å²	26.1	34%	0.337	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.5	-173	-56.7	-75.8	0	0	0	112.8	G476 F485 S486	G476-W478 VanDerWaalsContact CA-CH2 3.49Å; G476-W478 VanDerWaalsContact O-CZ3 3.3Å; G476-W478 WeakPolarHBondContact O-CZ3 3.28Å; W478-F485 WeakPolarHBondContact O-CA 3.5Å; W478-S486 PolarHBondContact N-O 2.65Å; W478-S486 PolarHBondContact O-N 2.95Å
479	I	92.8	Very high	94	Very high	10 Å²	10	30 Å²	30	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133	161.8	-162.4	74.9	0	0	0	109.1	F221 F223 S244 L466 G484 F485	F221-I479 HydrophobicContact CZ-CB 4.37Å; F223-I479 HydrophobicContact CB-CD1 4.16Å; F223-I479 HydrophobicContact CD1-CD1 3.54Å; F223-I479 HydrophobicContact CD1-CG1 4.49Å; F223-I479 HydrophobicContact CD2-CD1 3.85Å; F223-I479 HydrophobicContact CD2-CG1 4.02Å; F223-I479 HydrophobicContact CE1-CD1 3.84Å; F223-I479 HydrophobicContact CE2-CD1 4.15Å; F223-I479 HydrophobicContact CE2-CG1 4.11Å; F223-I479 HydrophobicContact CG-CD1 3.55Å; F223-I479 HydrophobicContact CG-CG1 4.24Å; F223-I479 HydrophobicContact CZ-CD1 4.15Å; F223-I479 HydrophobicContact CZ-CG1 4.37Å; S244-I479 VanDerWaalsContact OG-CG2 3.31Å; S244-I479 WeakPolarHBondContact OG-CG2 3.49Å; L466-I479 HydrophobicContact CB-CG1 4.47Å; L466-I479 HydrophobicContact CB-CG2 4.15Å; L466-I479 HydrophobicContact CD1-CG1 3.71Å; L466-I479 HydrophobicContact CD1-CG2 4.23Å; I479-G484 WeakPolarHBondContact CD1-O 3.31Å; I479-F485 HydrophobicContact CD1-CD1 3.84Å; I479-F485 HydrophobicContact CD1-CE1 3.6Å; I479-F485 HydrophobicContact CD1-CZ 4.4Å
480	M	90	Very high	93.9	Very high	4 Å²	4	30 Å²	30	2%	0.02	16%	0.156	C	C	.	.			trans	-87.9	155.1	174	-69.5	-176.4	63.2	0	0	110.6	L46 D47 L466 D482 T483 G484	L46-M480 HydrophobicContact CB-CE 4.38Å; L46-M480 WeakPolarHBondContact O-CE 3.46Å; D47-M480 WeakPolarHBondContact O-CE 3.4Å; L466-M480 WeakPolarHBondContact CD1-O 3.4Å; M480-D482 WeakPolarHBondContact CB-OD1 3.49Å; M480-D482 PolarHBondContact O-N 3.43Å; M480-D482 VanDerWaalsContact O-N 3.09Å; M480-T483 WeakPolarHBondContact O-CA 3.39Å; M480-T483 PolarHBondContact O-N 2.53Å; M480-G484 PolarHBondContact N-O 2.76Å
481	P	88.8	Confident	93.9	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.078	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.1	-178.9	-28.8	37.4	0	0	0	114.6	K48 M50 S246 I247 T483	K48-P481 VanDerWaalsContact O-CD 3.31Å; K48-P481 WeakPolarHBondContact O-CD 3.29Å; K48-P481 WeakPolarHBondContact O-CG 3.46Å; M50-P481 HydrophobicContact CG-CB 4.11Å; M50-P481 HydrophobicContact CG-CG 3.97Å; M50-P481 HydrophobicContact SD-CB 4.23Å; M50-P481 HydrophobicContact SD-CG 4.31Å; S246-P481 WeakPolarHBondContact CA-O 3.48Å; I247-P481 WeakPolarHBondContact CG1-O 3.37Å; I247-P481 HydrophobicContact CG2-CB 3.92Å; I247-P481 PolarHBondContact N-O 2.89Å; P481-T483 PolarHBondContact O-N 2.9Å
482	D	87	Confident	93.8	Very high	5 Å²	5	31 Å²	31	3%	0.027	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	2.2	176.6	73.1	-22.3	0	0	0	114.1	T30 I247 M480 G484	T30-D482 WeakPolarHBondContact CG2-O 3.48Å; I247-D482 HydrophobicContact CD1-CB 3.7Å; I247-D482 HydrophobicContact CG1-CB 4.27Å; M480-D482 WeakPolarHBondContact CB-OD1 3.49Å; M480-D482 PolarHBondContact O-N 3.43Å; M480-D482 VanDerWaalsContact O-N 3.09Å; D482-G484 VanDerWaalsContact C-N 3.29Å; D482-G484 WeakPolarHBondContact OD1-CA 3.26Å; D482-G484 PolarHBondContact OD1-N 2.99Å
483	T	89.7	Confident	93.6	Very high	31 Å²	31	34.7 Å²	34.7	19%	0.19	18%	0.179	C	C	.	.	S	Bend	trans	75.1	5.8	-171.6	74.2	0	0	0	0	115.4	F223 L466 M480 P481	F223-T483 HydrophobicContact CE1-CG2 4.35Å; F223-T483 HydrophobicContact CZ-CG2 3.99Å; L466-T483 HydrophobicContact CD1-CG2 4.27Å; L466-T483 HydrophobicContact CD2-CG2 3.82Å; M480-T483 WeakPolarHBondContact O-CA 3.39Å; M480-T483 PolarHBondContact O-N 2.53Å; P481-T483 PolarHBondContact O-N 2.9Å
484	G	90.4	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.163	C	C	.	.			trans	-74.6	-178.1	169.4	0	0	0	0	0	112.7	I479 M480 D482	I479-G484 WeakPolarHBondContact CD1-O 3.31Å; M480-G484 PolarHBondContact N-O 2.76Å; D482-G484 VanDerWaalsContact C-N 3.29Å; D482-G484 WeakPolarHBondContact OD1-CA 3.26Å; D482-G484 PolarHBondContact OD1-N 2.99Å
485	F	93.6	Very high	93.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.7	178	-51.2	-77.3	0	0	0	110.8	V15 L31 A34 W201 F221 F223 F477 W478 I479 F487	V15-F485 HydrophobicContact CG1-CE2 4.36Å; V15-F485 HydrophobicContact CG1-CZ 3.91Å; L31-F485 HydrophobicContact CD1-CE2 3.91Å; L31-F485 HydrophobicContact CD1-CZ 4.27Å; A34-F485 HydrophobicContact CB-CD2 3.73Å; A34-F485 HydrophobicContact CB-CE2 4.16Å; W201-F485 HydrophobicContact CE3-CD2 4.45Å; W201-F485 HydrophobicContact CE3-CE2 4.25Å; W201-F485 HydrophobicContact CH2-CB 4.17Å; W201-F485 AromaticContact CH2-CD2 3.67Å; W201-F485 HydrophobicContact CH2-CD2 3.67Å; W201-F485 HydrophobicContact CH2-CE2 4.28Å; W201-F485 AromaticContact CH2-CG 3.97Å; W201-F485 HydrophobicContact CH2-CG 3.97Å; W201-F485 HydrophobicContact CZ3-CD1 4.38Å; W201-F485 AromaticContact CZ3-CD2 3.4Å; W201-F485 HydrophobicContact CZ3-CD2 3.4Å; W201-F485 HydrophobicContact CZ3-CE1 4.49Å; W201-F485 AromaticContact CZ3-CE2 3.55Å; W201-F485 HydrophobicContact CZ3-CE2 3.55Å; W201-F485 AromaticContact CZ3-CG 3.86Å; W201-F485 HydrophobicContact CZ3-CG 3.86Å; W201-F485 HydrophobicContact CZ3-CZ 4.11Å; F221-F485 HydrophobicContact CD1-CE1 4.45Å; F221-F485 HydrophobicContact CE1-CD1 4.2Å; F221-F485 AromaticContact CE1-CE1 3.89Å; F221-F485 HydrophobicContact CE1-CE1 3.89Å; F223-F485 HydrophobicContact CB-CE1 4.44Å; F477-F485 HydrophobicContact CE1-CB 4.09Å; F477-F485 AromaticContact CE1-CD1 3.76Å; F477-F485 HydrophobicContact CE1-CD1 3.76Å; F477-F485 HydrophobicContact CE1-CG 4.15Å; F477-F485 HydrophobicContact CZ-CB 4.35Å; F477-F485 HydrophobicContact CZ-CD1 4.44Å; F477-F485 HydrophobicContact CZ-CG 4.46Å; W478-F485 WeakPolarHBondContact O-CA 3.5Å; I479-F485 HydrophobicContact CD1-CD1 3.84Å; I479-F485 HydrophobicContact CD1-CE1 3.6Å; I479-F485 HydrophobicContact CD1-CZ 4.4Å; F485-F487 HydrophobicContact CB-CD1 3.77Å; F485-F487 HydrophobicContact CB-CE1 4.09Å
486	S	92.7	Very high	92.9	Very high	25 Å²	25	32.6 Å²	32.6	18%	0.175	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.8	166.9	-176.5	0	0	0	0	108.6	W478	W478-S486 PolarHBondContact N-O 2.65Å; W478-S486 PolarHBondContact O-N 2.95Å
487	F	95.5	Very high	92.8	Very high	10 Å²	10	33.7 Å²	33.7	4%	0.044	17%	0.166	C	C	.	.			trans	-145.3	23.5	-172.3	56.5	-94.1	0	0	0	112.7	K37 Y169 I199 W201 F477 F485 D489 A490	K37-F487 HydrophobicContact CB-CZ 4.37Å; Y169-F487 HydrophobicContact CD2-CE2 4.11Å; Y169-F487 AromaticContact CE2-CD2 3.92Å; Y169-F487 HydrophobicContact CE2-CD2 3.92Å; Y169-F487 AromaticContact CE2-CE2 3.75Å; Y169-F487 HydrophobicContact CE2-CE2 3.75Å; I199-F487 HydrophobicContact CD1-CD2 3.93Å; I199-F487 HydrophobicContact CD1-CE2 4.17Å; W201-F487 HydrophobicContact CH2-CD1 4.11Å; W201-F487 AromaticContact CH2-CE1 3.85Å; W201-F487 HydrophobicContact CH2-CE1 3.85Å; W201-F487 HydrophobicContact CH2-CZ 4.48Å; W201-F487 HydrophobicContact CZ2-CD1 4.4Å; W201-F487 AromaticContact CZ2-CE1 3.87Å; W201-F487 HydrophobicContact CZ2-CE1 3.87Å; W201-F487 HydrophobicContact CZ2-CZ 4.04Å; F477-F487 HydrophobicContact CD2-CB 3.54Å; F477-F487 HydrophobicContact CD2-CG 4.49Å; F477-F487 HydrophobicContact CE2-CB 3.59Å; F477-F487 HydrophobicContact CE2-CD1 4.34Å; F477-F487 HydrophobicContact CE2-CG 4.07Å; F477-F487 HydrophobicContact CG-CB 4.11Å; F477-F487 HydrophobicContact CZ-CB 4.21Å; F477-F487 HydrophobicContact CZ-CD1 4.29Å; F477-F487 HydrophobicContact CZ-CG 4.48Å; F485-F487 HydrophobicContact CB-CD1 3.77Å; F485-F487 HydrophobicContact CB-CE1 4.09Å; F487-D489 VanDerWaalsContact C-N 3.3Å; F487-D489 PolarHBondContact O-N 3.42Å; F487-A490 HydrophobicContact CB-CB 3.89Å; F487-A490 WeakPolarHBondContact O-CB 3.14Å; F487-A490 PolarHBondContact O-N 3.3Å
488	E	91.1	Very high	92.6	Very high	59 Å²	59	35.7 Å²	35.7	28%	0.276	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-44.7	-179.3	-171.3	171.8	159.2	0	0	111.4	K53 Q190 L193	K53-E488 IonicContact NZ-OE2 2.61Å; K53-E488 PolarHBondContact NZ-OE2 2.79Å; Q190-E488 PolarHBondContact NE2-OE1 2.96Å; Q190-E488 VanDerWaalsContact NE2-OE1 3.12Å; L193-E488 HydrophobicContact CD1-CG 4.26Å
489	D	93.9	Very high	92.6	Very high	82 Å²	82	32.1 Å²	32.1	44%	0.439	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	17.8	-179.7	-61.4	-61	0	0	0	113.5	F487 D491	F487-D489 VanDerWaalsContact C-N 3.3Å; F487-D489 PolarHBondContact O-N 3.42Å; D489-D491 PolarHBondContact O-N 3.13Å
490	A	97.4	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.			trans	-59.5	136.9	-176	0	0	0	0	0	111.7	K195 L196 T475 F477 F487	K195-A490 WeakPolarHBondContact CB-O 2.99Å; L196-A490 HydrophobicContact CD1-CB 3.88Å; L196-A490 HydrophobicContact CG-CB 4.36Å; T475-A490 CarbonylContact O-C 3.57Å; T475-A490 VanDerWaalsContact O-CA 3.29Å; T475-A490 WeakPolarHBondContact O-CA 3.48Å; F477-A490 HydrophobicContact CB-CB 4.35Å; F477-A490 HydrophobicContact CD2-CB 3.97Å; F487-A490 HydrophobicContact CB-CB 3.89Å; F487-A490 WeakPolarHBondContact O-CB 3.14Å; F487-A490 PolarHBondContact O-N 3.3Å
491	D	97.9	Very high	92.8	Very high	22 Å²	22	36 Å²	36	12%	0.118	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152	-175.3	-153	-11.1	0	0	0	111.4	K9 K195 L474 T475 D489	K9-D491 IonicContact NZ-OD1 2.65Å; K9-D491 PolarHBondContact NZ-OD1 3.22Å; K9-D491 IonicContact NZ-OD2 3.93Å; K195-D491 HydrophobicContact CB-CB 4.43Å; K195-D491 HydrophobicContact CD-CB 3.74Å; K195-D491 WeakPolarHBondContact CD-OD2 3.4Å; K195-D491 IonicContact NZ-OD2 2.95Å; K195-D491 PolarHBondContact NZ-OD2 2.91Å; L474-D491 WeakPolarHBondContact CA-O 3.18Å; T475-D491 PolarHBondContact N-O 2.99Å; T475-D491 PolarHBondContact O-N 3.38Å; D489-D491 PolarHBondContact O-N 3.13Å
492	L	96.4	Very high	93.1	Very high	35 Å²	35	38 Å²	38	18%	0.183	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.8	174.7	-158.2	76.8	0	0	0	109.3	K9 V11 L196 Q220 N473 L474	K9-L492 HydrophobicContact CB-CB 4.19Å; K9-L492 HydrophobicContact CD-CB 4.34Å; K9-L492 WeakPolarHBondContact CE-O 3.36Å; K9-L492 HydrophobicContact CG-CB 4.16Å; K9-L492 PolarHBondContact NZ-O 2.69Å; V11-L492 HydrophobicContact CG2-CD1 3.99Å; L196-L492 HydrophobicContact CD2-CB 4.01Å; Q220-L492 HydrophobicContact CG-CD1 4.24Å; N473-L492 HydrophobicContact CB-CD1 4.39Å; N473-L492 WeakPolarHBondContact O-CA 3.44Å; L474-L492 HydrophobicContact CB-CD1 4.28Å; L474-L492 HydrophobicContact CD1-CD1 4.41Å
493	Q	92.1	Very high	93.7	Very high	184 Å²	184	41 Å²	41	86%	0.86	21%	0.209	S	C	*	.			trans	-104.3	0	-179.3	-62.1	-172.4	25.2	0	0	113.4	N473	N473-Q493 WeakPolarHBondContact CB-O 3.45Å; N473-Q493 PolarHBondContact O-N 3.23Å

Retrieved 493 of 493 residues in 243.9 ms (Link to these results)

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