A0A077Z584_TRITR Loading...

tRNA (Cytosine(34) C(5)) methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z584, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 587 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	39.7	Very low	73.1	Confident	229 Å²	229	128.3 Å²	128.3	100%	1.128	61%	0.605	S	S	*	*				0	130.5	0	-65.6	-177.8	174.8	0	0	107.4	Y3	M1-Y3 PolarHBondContact O-N 3.37Å
2	P	50.3	Low	74.5	Confident	123 Å²	123	128 Å²	128	80%	0.799	60%	0.6	S	S	*	*			trans	-54.9	137	165.2	25.4	-30.9	0	0	0	107.4	E4	P2-E4 PolarHBondContact O-N 2.87Å
3	Y	57.7	Low	76	Confident	234 Å²	234	118.3 Å²	118.3	92%	0.918	55%	0.554	S	S	*	*			trans	-54.3	114	172.8	-104.3	-96.1	0	0	0	106.9	M1 E5	M1-Y3 PolarHBondContact O-N 3.37Å; Y3-E5 PolarHBondContact O-N 3.44Å; Y3-E5 VanDerWaalsContact O-N 3.13Å
4	E	61.2	Low	77.3	Confident	176 Å²	176	112.4 Å²	112.4	82%	0.822	53%	0.527	S	S	*	.			trans	-55.2	123.4	169.8	-79.3	-177.3	167.9	0	0	107.1	P2 V6	P2-E4 PolarHBondContact O-N 2.87Å; E4-V6 PolarHBondContact O-N 2.9Å; E4-V6 VanDerWaalsContact O-N 3.07Å
5	E	69.4	Low	78.2	Confident	181 Å²	181	109.1 Å²	109.1	85%	0.846	52%	0.52	S	S	*	.			trans	-63.1	115.9	177.1	-166.2	165.9	-158.4	0	0	107.3	Y3 E7	Y3-E5 PolarHBondContact O-N 3.44Å; Y3-E5 VanDerWaalsContact O-N 3.13Å; E5-E7 PolarHBondContact O-N 3.08Å; E5-E7 VanDerWaalsContact O-N 3.15Å
6	V	74.2	Confident	79.1	Confident	42 Å²	42	102.5 Å²	102.5	26%	0.255	49%	0.489	S	S	.	.			trans	-63.1	121.3	-176.4	177.5	0	0	0	0	108.2	E4 R8 I228 K232	E4-V6 PolarHBondContact O-N 2.9Å; E4-V6 VanDerWaalsContact O-N 3.07Å; V6-R8 PolarHBondContact O-N 3.36Å; V6-I228 HydrophobicContact CB-CG2 3.53Å; V6-I228 HydrophobicContact CG1-CG2 3.66Å; V6-I228 HydrophobicContact CG2-CG2 4.27Å; V6-K232 HydrophobicContact CG1-CD 4.21Å
7	E	85.8	Confident	80	Confident	121 Å²	121	96.5 Å²	96.5	57%	0.565	46%	0.46	S	S	*	.			trans	-57.9	120.4	178.9	-167.9	-176.7	-179.5	0	0	110.7	E5 R9	E5-E7 PolarHBondContact O-N 3.08Å; E5-E7 VanDerWaalsContact O-N 3.15Å; E7-R9 HydrophobicContact CG-CB 3.88Å; E7-R9 PolarHBondContact O-N 2.88Å; E7-R9 VanDerWaalsContact O-N 3.07Å; E7-R9 WeakPolarHBondContact OE1-CD 3.34Å
8	R	92	Very high	80.7	Confident	38 Å²	38	96.6 Å²	96.6	14%	0.143	46%	0.458	C	S	.	.			trans	-85.5	60.8	175.8	-63.9	-173	-166.4	-153.9	1	110.7	V6 K36 T37 D38 W231	V6-R8 PolarHBondContact O-N 3.36Å; R8-K36 HydrophobicContact CB-CB 4.43Å; R8-K36 HydrophobicContact CB-CG 4.02Å; R8-K36 WeakPolarHBondContact CD-O 3.4Å; R8-K36 PolarHBondContact NE-O 3.26Å; R8-K36 PolarHBondContact NH1-O 2.85Å; R8-K36 VanDerWaalsContact NH1-O 3.16Å; R8-K36 VanDerWaalsContact O-CE 3.28Å; R8-K36 WeakPolarHBondContact O-CE 3.39Å; R8-T37 VanDerWaalsContact NH1-C 3.29Å; R8-T37 PolarHBondContact NH1-O 2.79Å; R8-D38 IonicContact CZ-OD1 2.85Å; R8-D38 VanDerWaalsContact CZ-OD1 3.29Å; R8-D38 IonicContact NH1-OD1 2.68Å; R8-D38 PolarHBondContact NH1-OD1 3.01Å; R8-D38 IonicContact NH2-OD1 2.51Å; R8-D38 PolarHBondContact NH2-OD1 3.44Å; R8-D38 IonicContact NH2-OD2 3.78Å; R8-W231 HydrophobicContact CB-CD2 3.96Å; R8-W231 HydrophobicContact CB-CG 4.29Å; R8-W231 HydrophobicContact CB-CH2 4.5Å; R8-W231 HydrophobicContact CB-CZ2 3.89Å; R8-W231 HydrophobicContact CG-CG 4.49Å; R8-W231 WeakPolarHBondContact O-CZ3 3.44Å
9	R	91.1	Very high	81.2	Confident	121 Å²	121	93.1 Å²	93.1	46%	0.457	45%	0.447	S	S	.	.			trans	-141.2	140.6	178.9	-174.3	178.3	173.5	-179.2	-7.7	110	E7 E11 W231	E7-R9 HydrophobicContact CG-CB 3.88Å; E7-R9 PolarHBondContact O-N 2.88Å; E7-R9 VanDerWaalsContact O-N 3.07Å; E7-R9 WeakPolarHBondContact OE1-CD 3.34Å; R9-E11 IonicContact CZ-OE1 2.8Å; R9-E11 IonicContact NE-OE1 3.88Å; R9-E11 IonicContact NH2-OE1 3.08Å; R9-E11 PolarHBondContact NH2-OE1 2.67Å; R9-W231 VanDerWaalsContact N-CE3 3.33Å
10	S	92.3	Very high	81.8	Confident	16 Å²	16	89.3 Å²	89.3	11%	0.112	43%	0.429	C	S	.	.			trans	-152.4	105.3	175.2	-179.3	0	0	0	0	109.5	K12 F13 E14 W231	S10-K12 PolarHBondContact O-N 3.22Å; S10-F13 WeakPolarHBondContact O-CB 3.19Å; S10-F13 PolarHBondContact O-N 2.88Å; S10-F13 WeakPolarHBondContact OG-CB 3.35Å; S10-F13 PolarHBondContact OG-N 3.38Å; S10-E14 WeakPolarHBondContact O-CG 3.36Å; S10-E14 PolarHBondContact O-N 2.77Å; S10-W231 WeakPolarHBondContact CB-O 3.45Å; S10-W231 PolarHBondContact OG-O 3.43Å
11	E	90.9	Very high	82.3	Confident	130 Å²	130	92.1 Å²	92.1	61%	0.607	44%	0.439	S	S	*	.	H	α-helix	trans	-62.3	-35	-178.4	-61.6	-169.1	157.7	0	0	111.7	R9 E14 S15	R9-E11 IonicContact CZ-OE1 2.8Å; R9-E11 IonicContact NE-OE1 3.88Å; R9-E11 IonicContact NH2-OE1 3.08Å; R9-E11 PolarHBondContact NH2-OE1 2.67Å; E11-E14 PolarHBondContact O-N 3.29Å; E11-S15 WeakPolarHBondContact O-CB 3.35Å; E11-S15 PolarHBondContact O-N 2.84Å; E11-S15 PolarHBondContact O-OG 3.22Å; E11-S15 VanDerWaalsContact O-OG 3.06Å
12	K	89.9	Confident	84.9	Confident	125 Å²	125	81.8 Å²	81.8	54%	0.543	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.7	-66.8	-179.3	-178	174.4	0	111.9	S10 S15 Y16	S10-K12 PolarHBondContact O-N 3.22Å; K12-S15 WeakPolarHBondContact CA-OG 3.4Å; K12-S15 PolarHBondContact O-N 2.9Å; K12-S15 PolarHBondContact O-OG 3.27Å; K12-Y16 VanDerWaalsContact O-CB 3.26Å; K12-Y16 WeakPolarHBondContact O-CB 3.36Å; K12-Y16 PolarHBondContact O-N 2.82Å
13	F	93.3	Very high	87.1	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.009	35%	0.351	C	S	.	.	H	α-helix	trans	-58.5	-50.1	175.1	178.4	-87.9	0	0	0	111.1	S10 S15 Y16 Y17 F31 M32 L35 D221 L224 W234 M270	S10-F13 WeakPolarHBondContact O-CB 3.19Å; S10-F13 PolarHBondContact O-N 2.88Å; S10-F13 WeakPolarHBondContact OG-CB 3.35Å; S10-F13 PolarHBondContact OG-N 3.38Å; F13-S15 PolarHBondContact O-N 3.09Å; F13-Y16 PolarHBondContact O-N 3.15Å; F13-Y17 HydrophobicContact CD1-CD2 4.1Å; F13-Y17 AromaticContact CD2-CD2 3.63Å; F13-Y17 HydrophobicContact CD2-CD2 3.63Å; F13-Y17 AromaticContact CD2-CE2 3.57Å; F13-Y17 HydrophobicContact CD2-CE2 3.57Å; F13-Y17 AromaticContact CE1-CD2 3.85Å; F13-Y17 HydrophobicContact CE1-CD2 3.85Å; F13-Y17 HydrophobicContact CE1-CE2 4.49Å; F13-Y17 AromaticContact CE2-CD2 3.35Å; F13-Y17 HydrophobicContact CE2-CD2 3.35Å; F13-Y17 AromaticContact CE2-CE2 3.16Å; F13-Y17 HydrophobicContact CE2-CE2 3.16Å; F13-Y17 AromaticContact CG-CD2 3.99Å; F13-Y17 HydrophobicContact CG-CD2 3.99Å; F13-Y17 HydrophobicContact CG-CE2 4.38Å; F13-Y17 AromaticContact CZ-CD2 3.46Å; F13-Y17 HydrophobicContact CZ-CD2 3.46Å; F13-Y17 VanDerWaalsContact CZ-CD2 3.46Å; F13-Y17 AromaticContact CZ-CE2 3.69Å; F13-Y17 HydrophobicContact CZ-CE2 3.69Å; F13-Y17 HydrophobicContact CZ-CG 4.4Å; F13-Y17 WeakPolarHBondContact O-CD2 3.32Å; F13-Y17 PolarHBondContact O-N 2.85Å; F13-F31 HydrophobicContact CE1-CE1 4.15Å; F13-F31 HydrophobicContact CE1-CZ 4.48Å; F13-F31 HydrophobicContact CZ-CE1 4.41Å; F13-F31 HydrophobicContact CZ-CZ 4.3Å; F13-M32 HydrophobicContact CD1-CE 4.46Å; F13-M32 HydrophobicContact CD1-SD 4.38Å; F13-M32 HydrophobicContact CE1-SD 4.04Å; F13-L35 HydrophobicContact CE1-CD1 3.65Å; F13-L35 HydrophobicContact CZ-CD1 3.69Å; F13-D221 HydrophobicContact CE2-CB 4.26Å; F13-L224 HydrophobicContact CD2-CD1 3.84Å; F13-L224 HydrophobicContact CE1-CD1 4.09Å; F13-L224 HydrophobicContact CE2-CD1 3.32Å; F13-L224 HydrophobicContact CG-CD1 4.41Å; F13-L224 HydrophobicContact CZ-CD1 3.47Å; F13-L224 VanDerWaalsContact CZ-CD1 3.47Å; F13-W234 HydrophobicContact CB-CE3 3.86Å; F13-W234 HydrophobicContact CB-CZ3 3.9Å; F13-W234 HydrophobicContact CD2-CD2 4.01Å; F13-W234 AromaticContact CD2-CE3 3.91Å; F13-W234 HydrophobicContact CD2-CE3 3.91Å; F13-W234 HydrophobicContact CD2-CH2 4.28Å; F13-W234 HydrophobicContact CD2-CZ2 4.37Å; F13-W234 HydrophobicContact CD2-CZ3 4.08Å; F13-W234 HydrophobicContact CG-CE3 4.39Å; F13-W234 HydrophobicContact CG-CZ3 4.42Å; F13-M270 HydrophobicContact CE2-CE 4.25Å; F13-M270 HydrophobicContact CZ-CE 3.85Å
14	E	93.8	Very high	88.9	Confident	36 Å²	36	67.6 Å²	67.6	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-46.6	-179.5	-69.2	-176.2	-141.9	0	0	111.8	S10 E11 Y16 K18 W28 M32	S10-E14 WeakPolarHBondContact O-CG 3.36Å; S10-E14 PolarHBondContact O-N 2.77Å; E11-E14 PolarHBondContact O-N 3.29Å; E14-Y16 VanDerWaalsContact C-N 3.33Å; E14-Y16 PolarHBondContact O-N 2.76Å; E14-K18 VanDerWaalsContact O-CB 3.26Å; E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.43Å; E14-K18 PolarHBondContact O-N 2.93Å; E14-W28 HydrophobicContact CB-CZ2 4.07Å; E14-W28 HydrophobicContact CG-CZ2 4.17Å; E14-M32 HydrophobicContact CG-CE 3.46Å; E14-M32 VanDerWaalsContact CG-CE 3.46Å; E14-M32 HydrophobicContact CG-SD 4.02Å
15	S	91.9	Very high	90.4	Very high	62 Å²	62	65.3 Å²	65.3	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-40.4	178.8	61.6	0	0	0	0	112.1	E11 K12 F13 A19	E11-S15 WeakPolarHBondContact O-CB 3.35Å; E11-S15 PolarHBondContact O-N 2.84Å; E11-S15 PolarHBondContact O-OG 3.22Å; E11-S15 VanDerWaalsContact O-OG 3.06Å; K12-S15 WeakPolarHBondContact CA-OG 3.4Å; K12-S15 PolarHBondContact O-N 2.9Å; K12-S15 PolarHBondContact O-OG 3.27Å; F13-S15 PolarHBondContact O-N 3.09Å; S15-A19 VanDerWaalsContact O-CB 3.22Å; S15-A19 WeakPolarHBondContact O-CB 3.22Å; S15-A19 PolarHBondContact O-N 2.82Å; S15-A19 VanDerWaalsContact O-N 3.1Å
16	Y	92.6	Very high	91.7	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-54.6	178.7	-179	-98.3	0	0	0	110.8	K12 F13 E14 A19 Q20 W234 P236 N271 E315	K12-Y16 VanDerWaalsContact O-CB 3.26Å; K12-Y16 WeakPolarHBondContact O-CB 3.36Å; K12-Y16 PolarHBondContact O-N 2.82Å; F13-Y16 PolarHBondContact O-N 3.15Å; E14-Y16 VanDerWaalsContact C-N 3.33Å; E14-Y16 PolarHBondContact O-N 2.76Å; Y16-A19 CarbonylContact O-C 3.55Å; Y16-A19 WeakPolarHBondContact O-CA 3.31Å; Y16-A19 WeakPolarHBondContact O-CB 3.38Å; Y16-A19 PolarHBondContact O-N 2.95Å; Y16-Q20 HydrophobicContact CD1-CG 4Å; Y16-Q20 HydrophobicContact CE1-CG 3.7Å; Y16-Q20 HydrophobicContact CE2-CG 4.44Å; Y16-Q20 WeakPolarHBondContact O-CG 3.47Å; Y16-Q20 PolarHBondContact O-N 2.97Å; Y16-Q20 PolarHBondContact OH-NE2 3.4Å; Y16-W234 AromaticContact CD1-CH2 3.59Å; Y16-W234 HydrophobicContact CD1-CH2 3.59Å; Y16-W234 HydrophobicContact CD1-CZ2 4.14Å; Y16-W234 HydrophobicContact CE1-CH2 4.23Å; Y16-W234 HydrophobicContact CE1-CZ2 4.4Å; Y16-W234 AromaticContact CG-CH2 3.8Å; Y16-W234 HydrophobicContact CG-CH2 3.8Å; Y16-P236 HydrophobicContact CD2-CB 3.67Å; Y16-P236 HydrophobicContact CD2-CG 4.06Å; Y16-P236 HydrophobicContact CE2-CB 3.58Å; Y16-P236 HydrophobicContact CE2-CG 4.41Å; Y16-P236 HydrophobicContact CG-CB 4.27Å; Y16-N271 PolarHBondContact OH-ND2 3.4Å; Y16-N271 PolarHBondContact OH-OD1 3.12Å; Y16-E315 HydrophobicContact CD2-CG 4.21Å
17	Y	94	Very high	92.8	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.4	-33.9	-174.8	-80.7	-64.8	0	0	0	113.8	F13 A19 Q20 K21 I22 D221 W234 M270 N271	F13-Y17 HydrophobicContact CD1-CD2 4.1Å; F13-Y17 AromaticContact CD2-CD2 3.63Å; F13-Y17 HydrophobicContact CD2-CD2 3.63Å; F13-Y17 AromaticContact CD2-CE2 3.57Å; F13-Y17 HydrophobicContact CD2-CE2 3.57Å; F13-Y17 AromaticContact CE1-CD2 3.85Å; F13-Y17 HydrophobicContact CE1-CD2 3.85Å; F13-Y17 HydrophobicContact CE1-CE2 4.49Å; F13-Y17 AromaticContact CE2-CD2 3.35Å; F13-Y17 HydrophobicContact CE2-CD2 3.35Å; F13-Y17 AromaticContact CE2-CE2 3.16Å; F13-Y17 HydrophobicContact CE2-CE2 3.16Å; F13-Y17 AromaticContact CG-CD2 3.99Å; F13-Y17 HydrophobicContact CG-CD2 3.99Å; F13-Y17 HydrophobicContact CG-CE2 4.38Å; F13-Y17 AromaticContact CZ-CD2 3.46Å; F13-Y17 HydrophobicContact CZ-CD2 3.46Å; F13-Y17 VanDerWaalsContact CZ-CD2 3.46Å; F13-Y17 AromaticContact CZ-CE2 3.69Å; F13-Y17 HydrophobicContact CZ-CE2 3.69Å; F13-Y17 HydrophobicContact CZ-CG 4.4Å; F13-Y17 WeakPolarHBondContact O-CD2 3.32Å; F13-Y17 PolarHBondContact O-N 2.85Å; Y17-A19 VanDerWaalsContact C-N 3.26Å; Y17-A19 PolarHBondContact O-N 2.75Å; Y17-Q20 PolarHBondContact O-N 3.42Å; Y17-K21 PolarHBondContact O-N 3.08Å; Y17-K21 VanDerWaalsContact O-N 3.13Å; Y17-I22 HydrophobicContact CD1-CD1 3.41Å; Y17-I22 VanDerWaalsContact CD1-CD1 3.41Å; Y17-I22 HydrophobicContact CD1-CG1 3.95Å; Y17-I22 HydrophobicContact CE1-CD1 3.5Å; Y17-I22 VanDerWaalsContact CE1-CD1 3.5Å; Y17-I22 HydrophobicContact CE1-CG1 4.47Å; Y17-D221 VanDerWaalsContact CE2-OD2 3.22Å; Y17-D221 WeakPolarHBondContact CE2-OD2 3.12Å; Y17-D221 PolarHBondContact OH-OD2 2.9Å; Y17-W234 HydrophobicContact CD2-CH2 4.42Å; Y17-W234 AromaticContact CE2-CH2 3.92Å; Y17-W234 HydrophobicContact CE2-CH2 3.92Å; Y17-W234 AromaticContact CE2-CZ2 3.71Å; Y17-W234 HydrophobicContact CE2-CZ2 3.71Å; Y17-M270 HydrophobicContact CE1-CB 4.04Å; Y17-N271 WeakPolarHBondContact OH-CA 3.07Å; Y17-N271 WeakPolarHBondContact OH-CB 3.11Å; Y17-N271 PolarHBondContact OH-N 2.77Å
18	K	92.3	Very high	93.4	Very high	99 Å²	99	59 Å²	59	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-41.3	166.9	-76.5	-179	-178.7	176.7	0	111.3	E14 K21 W28	E14-K18 VanDerWaalsContact O-CB 3.26Å; E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.43Å; E14-K18 PolarHBondContact O-N 2.93Å; K18-K21 PolarHBondContact O-N 3.23Å; K18-W28 HydrophobicContact CB-CH2 4.45Å; K18-W28 HydrophobicContact CD-CZ2 4.1Å; K18-W28 HydrophobicContact CG-CD2 3.8Å; K18-W28 HydrophobicContact CG-CE3 3.92Å; K18-W28 HydrophobicContact CG-CH2 3.62Å; K18-W28 HydrophobicContact CG-CZ2 3.49Å; K18-W28 VanDerWaalsContact CG-CZ2 3.49Å; K18-W28 HydrophobicContact CG-CZ3 3.83Å
19	A	90.8	Very high	93.6	Very high	29 Å²	29	63.6 Å²	63.6	24%	0.24	32%	0.317	C	S	.	.	H	α-helix	trans	-71.7	-32.2	179.7	0	0	0	0	0	113	S15 Y16 Y17 K21 K312	S15-A19 VanDerWaalsContact O-CB 3.22Å; S15-A19 WeakPolarHBondContact O-CB 3.22Å; S15-A19 PolarHBondContact O-N 2.82Å; S15-A19 VanDerWaalsContact O-N 3.1Å; Y16-A19 CarbonylContact O-C 3.55Å; Y16-A19 WeakPolarHBondContact O-CA 3.31Å; Y16-A19 WeakPolarHBondContact O-CB 3.38Å; Y16-A19 PolarHBondContact O-N 2.95Å; Y17-A19 VanDerWaalsContact C-N 3.26Å; Y17-A19 PolarHBondContact O-N 2.75Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K312 HydrophobicContact CB-CD 4.46Å; A19-K312 VanDerWaalsContact O-CE 3.31Å; A19-K312 WeakPolarHBondContact O-CE 3.1Å; A19-K312 PolarHBondContact O-NZ 2.8Å
20	Q	92.5	Very high	94	Very high	17 Å²	17	61.2 Å²	61.2	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-71	-29.1	176.1	-66.2	-55.8	-19.4	0	0	113	Y16 Y17 I22 K312	Y16-Q20 HydrophobicContact CD1-CG 4Å; Y16-Q20 HydrophobicContact CE1-CG 3.7Å; Y16-Q20 HydrophobicContact CE2-CG 4.44Å; Y16-Q20 WeakPolarHBondContact O-CG 3.47Å; Y16-Q20 PolarHBondContact O-N 2.97Å; Y16-Q20 PolarHBondContact OH-NE2 3.4Å; Y17-Q20 PolarHBondContact O-N 3.42Å; Q20-I22 VanDerWaalsContact C-N 3.26Å; Q20-I22 HydrophobicContact CB-CG2 3.8Å; Q20-I22 PolarHBondContact O-N 3.37Å; Q20-K312 PolarHBondContact NE2-O 2.74Å
21	K	92.6	Very high	94.2	Very high	150 Å²	150	60.4 Å²	60.4	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	34	-177.2	-54.7	-178.7	175.7	-176	0	113.6	Y17 K18 A19	Y17-K21 PolarHBondContact O-N 3.08Å; Y17-K21 VanDerWaalsContact O-N 3.13Å; K18-K21 PolarHBondContact O-N 3.23Å; A19-K21 VanDerWaalsContact C-N 3.35Å
22	I	95	Very high	94.6	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.062	29%	0.286	C	S	.	.			trans	-72.3	-22.6	171.6	75.4	174	0	0	0	111.7	Y17 Q20 M270 L308 L355	Y17-I22 HydrophobicContact CD1-CD1 3.41Å; Y17-I22 VanDerWaalsContact CD1-CD1 3.41Å; Y17-I22 HydrophobicContact CD1-CG1 3.95Å; Y17-I22 HydrophobicContact CE1-CD1 3.5Å; Y17-I22 VanDerWaalsContact CE1-CD1 3.5Å; Y17-I22 HydrophobicContact CE1-CG1 4.47Å; Q20-I22 VanDerWaalsContact C-N 3.26Å; Q20-I22 HydrophobicContact CB-CG2 3.8Å; Q20-I22 PolarHBondContact O-N 3.37Å; I22-M270 HydrophobicContact CD1-CB 3.87Å; I22-M270 WeakPolarHBondContact CD1-O 3.43Å; I22-L308 HydrophobicContact CG2-CD1 3.7Å; I22-L355 HydrophobicContact CD1-CD2 4.46Å
23	V	96.3	Very high	94.9	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	28%	0.278	C	S	.	.	S	Bend	trans	-109	128.9	174.3	-171.9	0	0	0	0	108.1	E27 W28 F31 L355	V23-E27 HydrophobicContact CG1-CB 3.93Å; V23-W28 HydrophobicContact CB-CE3 4.18Å; V23-F31 HydrophobicContact CG1-CB 3.88Å; V23-F31 HydrophobicContact CG1-CG 4.19Å; V23-F31 HydrophobicContact CG2-CB 4.43Å; V23-F31 HydrophobicContact CG2-CD1 3.93Å; V23-F31 HydrophobicContact CG2-CD2 3.92Å; V23-F31 HydrophobicContact CG2-CE1 4.06Å; V23-F31 HydrophobicContact CG2-CE2 4.05Å; V23-F31 HydrophobicContact CG2-CG 3.84Å; V23-F31 HydrophobicContact CG2-CZ 4.1Å; V23-L355 HydrophobicContact CG2-CD1 4.23Å
24	P	94.1	Very high	95.1	Very high	56 Å²	56	51.1 Å²	51.1	36%	0.364	28%	0.283	S	S	.	.			trans	-55.7	141.9	171.4	-25.7	35.4	0	0	0	111.9	N26 E27 W28	P24-N26 WeakPolarHBondContact CB-OD1 3.17Å; P24-N26 PolarHBondContact O-N 3.44Å; P24-N26 VanDerWaalsContact O-N 3.15Å; P24-E27 HydrophobicContact CB-CB 4.45Å; P24-E27 HydrophobicContact CB-CG 4.32Å; P24-E27 PolarHBondContact O-N 3.49Å; P24-W28 PolarHBondContact O-N 2.81Å
25	N	94	Very high	95.2	Very high	127 Å²	127	49.4 Å²	49.4	68%	0.679	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-57.6	-34.2	-176.1	-72.4	-21.6	0	0	0	113.1	E27 W28	N25-E27 VanDerWaalsContact C-N 3.26Å; N25-E27 PolarHBondContact O-N 2.86Å; N25-W28 WeakPolarHBondContact O-CB 3.45Å; N25-W28 PolarHBondContact O-N 3.42Å
26	N	96.7	Very high	95.4	Very high	140 Å²	140	50.9 Å²	50.9	75%	0.749	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-72.7	-15.4	177.6	63.6	-56.8	0	0	0	113.7	P24	P24-N26 WeakPolarHBondContact CB-OD1 3.17Å; P24-N26 PolarHBondContact O-N 3.44Å; P24-N26 VanDerWaalsContact O-N 3.15Å
27	E	97.5	Very high	95.5	Very high	56 Å²	56	53.9 Å²	53.9	26%	0.262	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-101.8	-8.3	177.7	-66.7	-177.2	-161.8	0	0	112.8	V23 P24 N25 D29 S30 F31 H357 H358	V23-E27 HydrophobicContact CG1-CB 3.93Å; P24-E27 HydrophobicContact CB-CB 4.45Å; P24-E27 HydrophobicContact CB-CG 4.32Å; P24-E27 PolarHBondContact O-N 3.49Å; N25-E27 VanDerWaalsContact C-N 3.26Å; N25-E27 PolarHBondContact O-N 2.86Å; E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.49Å; E27-S30 WeakPolarHBondContact O-CB 3.44Å; E27-S30 PolarHBondContact O-N 3.46Å; E27-S30 VanDerWaalsContact O-N 3.07Å; E27-F31 PolarHBondContact O-N 3.15Å; E27-H357 IonicContact OE2-CD2 2.79Å; E27-H357 IonicContact OE2-CE1 2.87Å; E27-H357 IonicContact OE2-NE2 2.6Å; E27-H357 PolarHBondContact OE2-NE2 3.06Å; E27-H358 IonicContact OE2-CD2 3.74Å; E27-H358 IonicContact OE2-CE1 3.93Å; E27-H358 IonicContact OE2-NE2 2.89Å; E27-H358 PolarHBondContact OE2-NE2 2.87Å
28	W	97.5	Very high	95.5	Very high	17 Å²	17	56.4 Å²	56.4	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-54.5	-45.5	-171.7	179.9	-93.6	0	0	0	113.5	E14 K18 V23 P24 N25 S30 F31 M32	E14-W28 HydrophobicContact CB-CZ2 4.07Å; E14-W28 HydrophobicContact CG-CZ2 4.17Å; K18-W28 HydrophobicContact CB-CH2 4.45Å; K18-W28 HydrophobicContact CD-CZ2 4.1Å; K18-W28 HydrophobicContact CG-CD2 3.8Å; K18-W28 HydrophobicContact CG-CE3 3.92Å; K18-W28 HydrophobicContact CG-CH2 3.62Å; K18-W28 HydrophobicContact CG-CZ2 3.49Å; K18-W28 VanDerWaalsContact CG-CZ2 3.49Å; K18-W28 HydrophobicContact CG-CZ3 3.83Å; V23-W28 HydrophobicContact CB-CE3 4.18Å; P24-W28 PolarHBondContact O-N 2.81Å; N25-W28 WeakPolarHBondContact O-CB 3.45Å; N25-W28 PolarHBondContact O-N 3.42Å; W28-S30 VanDerWaalsContact C-N 3.33Å; W28-S30 PolarHBondContact O-N 3.18Å; W28-F31 HydrophobicContact CE3-CD1 4.29Å; W28-F31 HydrophobicContact CH2-CD1 4.41Å; W28-F31 HydrophobicContact CH2-CE1 4.26Å; W28-F31 HydrophobicContact CZ3-CD1 4.1Å; W28-F31 HydrophobicContact CZ3-CE1 4.13Å; W28-F31 WeakPolarHBondContact O-CB 3.12Å; W28-F31 PolarHBondContact O-N 3.47Å; W28-M32 HydrophobicContact CD2-CG 4.22Å; W28-M32 VanDerWaalsContact CE2-CG 3.45Å; W28-M32 HydrophobicContact CH2-CG 4.42Å; W28-M32 HydrophobicContact CH2-SD 4.04Å; W28-M32 HydrophobicContact CZ2-CG 3.58Å; W28-M32 HydrophobicContact CZ2-SD 3.56Å; W28-M32 VanDerWaalsContact CZ2-SD 3.56Å; W28-M32 WeakPolarHBondContact O-CG 3.3Å; W28-M32 PolarHBondContact O-N 3.24Å
29	D	97.3	Very high	95.6	Very high	134 Å²	134	52.7 Å²	52.7	72%	0.717	29%	0.291	S	S	*	.	H	α-helix	trans	-69	-34.2	-178.5	-65.8	-28.1	0	0	0	112	E27 G33	E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3.49Å; D29-G33 PolarHBondContact O-N 3.12Å
30	S	98	Very high	95.8	Very high	70 Å²	70	51.8 Å²	51.8	49%	0.49	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-45	173.7	-176.5	0	0	0	0	111.3	E27 W28 G33 C34	E27-S30 WeakPolarHBondContact O-CB 3.44Å; E27-S30 PolarHBondContact O-N 3.46Å; E27-S30 VanDerWaalsContact O-N 3.07Å; W28-S30 VanDerWaalsContact C-N 3.33Å; W28-S30 PolarHBondContact O-N 3.18Å; S30-G33 PolarHBondContact O-N 2.99Å; S30-C34 VanDerWaalsContact O-CB 3.32Å; S30-C34 WeakPolarHBondContact O-CB 3.42Å; S30-C34 PolarHBondContact O-N 2.96Å
31	F	98.2	Very high	95.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-53.1	173.8	171.4	-104.8	0	0	0	112	F13 V23 E27 W28 G33 C34 L35 M270 P356 H357	F13-F31 HydrophobicContact CE1-CE1 4.15Å; F13-F31 HydrophobicContact CE1-CZ 4.48Å; F13-F31 HydrophobicContact CZ-CE1 4.41Å; F13-F31 HydrophobicContact CZ-CZ 4.3Å; V23-F31 HydrophobicContact CG1-CB 3.88Å; V23-F31 HydrophobicContact CG1-CG 4.19Å; V23-F31 HydrophobicContact CG2-CB 4.43Å; V23-F31 HydrophobicContact CG2-CD1 3.93Å; V23-F31 HydrophobicContact CG2-CD2 3.92Å; V23-F31 HydrophobicContact CG2-CE1 4.06Å; V23-F31 HydrophobicContact CG2-CE2 4.05Å; V23-F31 HydrophobicContact CG2-CG 3.84Å; V23-F31 HydrophobicContact CG2-CZ 4.1Å; E27-F31 PolarHBondContact O-N 3.15Å; W28-F31 HydrophobicContact CE3-CD1 4.29Å; W28-F31 HydrophobicContact CH2-CD1 4.41Å; W28-F31 HydrophobicContact CH2-CE1 4.26Å; W28-F31 HydrophobicContact CZ3-CD1 4.1Å; W28-F31 HydrophobicContact CZ3-CE1 4.13Å; W28-F31 WeakPolarHBondContact O-CB 3.12Å; W28-F31 PolarHBondContact O-N 3.47Å; F31-G33 PolarHBondContact O-N 3.45Å; F31-C34 PolarHBondContact O-N 3.4Å; F31-L35 HydrophobicContact CD1-CD1 4.16Å; F31-L35 HydrophobicContact CD2-CD1 4.49Å; F31-L35 HydrophobicContact CE1-CD1 3.58Å; F31-L35 HydrophobicContact CE2-CD1 3.97Å; F31-L35 HydrophobicContact CE2-CG 4.36Å; F31-L35 HydrophobicContact CZ-CD1 3.49Å; F31-L35 VanDerWaalsContact CZ-CD1 3.49Å; F31-L35 HydrophobicContact CZ-CG 4.35Å; F31-L35 WeakPolarHBondContact O-CG 3.28Å; F31-L35 PolarHBondContact O-N 2.88Å; F31-M270 HydrophobicContact CE2-CE 4.17Å; F31-M270 HydrophobicContact CE2-SD 3.72Å; F31-M270 HydrophobicContact CZ-CE 3.79Å; F31-M270 HydrophobicContact CZ-SD 3.88Å; F31-P356 HydrophobicContact CE2-CG 4.17Å; F31-H357 AromaticContact CD2-CE1 3.99Å; F31-H357 AromaticContact CD2-ND1 3.52Å
32	M	97.3	Very high	96.1	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-37.4	179.2	-71.6	-54.9	-57	0	0	112.6	F13 E14 W28 L35 K36 W231	F13-M32 HydrophobicContact CD1-CE 4.46Å; F13-M32 HydrophobicContact CD1-SD 4.38Å; F13-M32 HydrophobicContact CE1-SD 4.04Å; E14-M32 HydrophobicContact CG-CE 3.46Å; E14-M32 VanDerWaalsContact CG-CE 3.46Å; E14-M32 HydrophobicContact CG-SD 4.02Å; W28-M32 HydrophobicContact CD2-CG 4.22Å; W28-M32 VanDerWaalsContact CE2-CG 3.45Å; W28-M32 HydrophobicContact CH2-CG 4.42Å; W28-M32 HydrophobicContact CH2-SD 4.04Å; W28-M32 HydrophobicContact CZ2-CG 3.58Å; W28-M32 HydrophobicContact CZ2-SD 3.56Å; W28-M32 VanDerWaalsContact CZ2-SD 3.56Å; W28-M32 WeakPolarHBondContact O-CG 3.3Å; W28-M32 PolarHBondContact O-N 3.24Å; M32-L35 HydrophobicContact SD-CD1 4.29Å; M32-K36 VanDerWaalsContact O-CG 3.31Å; M32-K36 WeakPolarHBondContact O-CG 3.11Å; M32-K36 PolarHBondContact O-N 3.25Å; M32-W231 HydrophobicContact CE-CH2 4.03Å; M32-W231 HydrophobicContact CE-CZ3 4.09Å
33	G	97	Very high	96.1	Very high	35 Å²	35	44.2 Å²	44.2	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174	0	0	0	0	0	111.9	D29 S30 F31 K36	D29-G33 PolarHBondContact O-N 3.12Å; S30-G33 PolarHBondContact O-N 2.99Å; F31-G33 PolarHBondContact O-N 3.45Å; G33-K36 PolarHBondContact O-N 3.34Å
34	C	97	Very high	95.9	Very high	19 Å²	19	44.1 Å²	44.1	13%	0.128	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-43.2	178.2	-174.8	0	0	0	0	112.5	S30 F31 K36 T37 R225 H357	S30-C34 VanDerWaalsContact O-CB 3.32Å; S30-C34 WeakPolarHBondContact O-CB 3.42Å; S30-C34 PolarHBondContact O-N 2.96Å; F31-C34 PolarHBondContact O-N 3.4Å; C34-K36 PolarHBondContact O-N 2.95Å; C34-K36 VanDerWaalsContact O-N 3.16Å; C34-T37 PolarHBondContact O-N 3.15Å; C34-T37 PolarHBondContact O-OG1 3.19Å; C34-R225 WeakPolarHBondContact O-CD 3.36Å; C34-R225 PolarHBondContact O-NE 2.89Å; C34-H357 HydrophobicContact CB-CB 3.77Å
35	L	96.7	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-28.5	176.9	-77	178.9	0	0	0	113.1	F13 F31 M32 T37 L224 R225 W231 P356	F13-L35 HydrophobicContact CE1-CD1 3.65Å; F13-L35 HydrophobicContact CZ-CD1 3.69Å; F31-L35 HydrophobicContact CD1-CD1 4.16Å; F31-L35 HydrophobicContact CD2-CD1 4.49Å; F31-L35 HydrophobicContact CE1-CD1 3.58Å; F31-L35 HydrophobicContact CE2-CD1 3.97Å; F31-L35 HydrophobicContact CE2-CG 4.36Å; F31-L35 HydrophobicContact CZ-CD1 3.49Å; F31-L35 VanDerWaalsContact CZ-CD1 3.49Å; F31-L35 HydrophobicContact CZ-CG 4.35Å; F31-L35 WeakPolarHBondContact O-CG 3.28Å; F31-L35 PolarHBondContact O-N 2.88Å; M32-L35 HydrophobicContact SD-CD1 4.29Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 2.68Å; L35-L224 HydrophobicContact CD1-CD1 4.31Å; L35-L224 HydrophobicContact CD2-CB 4.22Å; L35-R225 HydrophobicContact CD2-CG 4.23Å; L35-R225 WeakPolarHBondContact O-CG 3.49Å; L35-W231 HydrophobicContact CB-CH2 4.02Å; L35-W231 HydrophobicContact CB-CZ2 3.94Å; L35-W231 WeakPolarHBondContact O-CZ2 3.35Å; L35-P356 HydrophobicContact CD2-CB 4.22Å; L35-P356 HydrophobicContact CD2-CG 3.64Å; L35-P356 HydrophobicContact CG-CG 4.34Å
36	K	95.6	Very high	95.6	Very high	92 Å²	92	37.8 Å²	37.8	40%	0.4	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.9	179	-69.6	172.1	-176.3	179.5	0	113.6	R8 M32 G33 C34 W231	R8-K36 HydrophobicContact CB-CB 4.43Å; R8-K36 HydrophobicContact CB-CG 4.02Å; R8-K36 WeakPolarHBondContact CD-O 3.4Å; R8-K36 PolarHBondContact NE-O 3.26Å; R8-K36 PolarHBondContact NH1-O 2.85Å; R8-K36 VanDerWaalsContact NH1-O 3.16Å; R8-K36 VanDerWaalsContact O-CE 3.28Å; R8-K36 WeakPolarHBondContact O-CE 3.39Å; M32-K36 VanDerWaalsContact O-CG 3.31Å; M32-K36 WeakPolarHBondContact O-CG 3.11Å; M32-K36 PolarHBondContact O-N 3.25Å; G33-K36 PolarHBondContact O-N 3.34Å; C34-K36 PolarHBondContact O-N 2.95Å; C34-K36 VanDerWaalsContact O-N 3.16Å; K36-W231 HydrophobicContact CG-CH2 4.15Å; K36-W231 HydrophobicContact CG-CZ2 4.25Å
37	T	94.5	Very high	94.9	Very high	68 Å²	68	33.6 Å²	33.6	42%	0.417	20%	0.2	S	C	.	.	S	Bend	trans	-100.6	153.3	177.3	68.8	0	0	0	0	112	R8 C34 L35 R225	R8-T37 VanDerWaalsContact NH1-C 3.29Å; R8-T37 PolarHBondContact NH1-O 2.79Å; C34-T37 PolarHBondContact O-N 3.15Å; C34-T37 PolarHBondContact O-OG1 3.19Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 2.68Å; T37-R225 WeakPolarHBondContact O-CB 3.37Å; T37-R225 WeakPolarHBondContact O-CG 3.19Å; T37-R225 PolarHBondContact O-NE 3.23Å; T37-R225 PolarHBondContact OG1-NH2 3.09Å
38	D	94.3	Very high	94.2	Very high	52 Å²	52	36 Å²	36	28%	0.278	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-69.3	152.7	173.9	-79.1	-21	0	0	0	111.7	R8 D80 R225	R8-D38 IonicContact CZ-OD1 2.85Å; R8-D38 VanDerWaalsContact CZ-OD1 3.29Å; R8-D38 IonicContact NH1-OD1 2.68Å; R8-D38 PolarHBondContact NH1-OD1 3.01Å; R8-D38 IonicContact NH2-OD1 2.51Å; R8-D38 PolarHBondContact NH2-OD1 3.44Å; R8-D38 IonicContact NH2-OD2 3.78Å; D38-D80 HydrophobicContact CB-CB 3.44Å; D38-D80 VanDerWaalsContact CB-CB 3.44Å; D38-R225 PolarHBondContact O-NH2 2.78Å
39	L	95	Very high	93.4	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.11	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-66.8	144	176.1	-73.6	170.2	0	0	0	111.8	E110 R225 K226	L39-E110 HydrophobicContact CD1-CG 4.03Å; L39-R225 HydrophobicContact CD2-CB 4.16Å; L39-R225 HydrophobicContact CG-CB 3.82Å; L39-K226 HydrophobicContact CD1-CB 4.02Å; L39-K226 HydrophobicContact CD1-CD 3.98Å; L39-K226 HydrophobicContact CD1-CG 4.28Å
40	P	94.6	Very high	92.4	Very high	10 Å²	10	32 Å²	32	7%	0.065	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-62.5	157.6	169.5	28.4	-34.4	0	0	0	111.5	T42 L77 M79 N360	P40-T42 HydrophobicContact CG-CG2 4.31Å; P40-T42 PolarHBondContact O-N 3.47Å; P40-L77 WeakPolarHBondContact CB-O 3.47Å; P40-M79 CarbonylContact C-O 3.55Å; P40-M79 WeakPolarHBondContact CA-O 3.27Å; P40-N360 WeakPolarHBondContact CD-O 3.09Å
41	V	95.2	Very high	91.6	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.6	169.4	175.1	0	0	0	0	108.7	E76 L77 M79 K81 F84	V41-E76 CarbonylContact O-C 3.36Å; V41-E76 VanDerWaalsContact O-CA 3.31Å; V41-E76 WeakPolarHBondContact O-CA 3.47Å; V41-L77 HydrophobicContact CB-CB 4.28Å; V41-L77 HydrophobicContact CB-CD1 4.3Å; V41-L77 HydrophobicContact CG1-CD1 4.13Å; V41-L77 PolarHBondContact N-O 2.94Å; V41-L77 PolarHBondContact O-N 3.41Å; V41-M79 PolarHBondContact N-O 3.42Å; V41-K81 HydrophobicContact CG2-CB 4.45Å; V41-K81 HydrophobicContact CG2-CG 3.93Å; V41-F84 HydrophobicContact CG1-CD1 4.2Å; V41-F84 HydrophobicContact CG1-CE1 4.33Å; V41-F84 HydrophobicContact CG2-CB 3.84Å; V41-F84 HydrophobicContact CG2-CD1 3.98Å; V41-F84 HydrophobicContact CG2-CG 4.06Å
42	T	95.2	Very high	91.1	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.08	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	179.6	54.1	0	0	0	0	111	P40 F75 E76 Q109 E110 A111	P40-T42 HydrophobicContact CG-CG2 4.31Å; P40-T42 PolarHBondContact O-N 3.47Å; T42-F75 WeakPolarHBondContact CA-O 3.35Å; T42-E76 HydrophobicContact CG2-CB 4.18Å; T42-E76 HydrophobicContact CG2-CG 3.8Å; T42-Q109 WeakPolarHBondContact CB-O 3.24Å; T42-Q109 PolarHBondContact O-N 2.93Å; T42-Q109 PolarHBondContact OG1-O 2.98Å; T42-E110 WeakPolarHBondContact OG1-CA 3.15Å; T42-A111 HydrophobicContact CG2-CB 4.43Å
43	F	95.1	Very high	90.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.3	175.7	67.1	-83.4	0	0	0	110.7	F45 F55 V63 A74 F75 L77 L97 L106 S107 R108	F43-F45 AromaticContact CE2-CE2 3.91Å; F43-F45 HydrophobicContact CE2-CE2 3.91Å; F43-F45 HydrophobicContact CE2-CZ 4.43Å; F43-F55 HydrophobicContact CE2-CE1 4.48Å; F43-F55 HydrophobicContact CE2-CE2 4.05Å; F43-F55 AromaticContact CE2-CZ 3.97Å; F43-F55 HydrophobicContact CE2-CZ 3.97Å; F43-F55 HydrophobicContact CZ-CE1 4.34Å; F43-F55 AromaticContact CZ-CE2 3.66Å; F43-F55 HydrophobicContact CZ-CE2 3.66Å; F43-F55 AromaticContact CZ-CZ 3.5Å; F43-F55 HydrophobicContact CZ-CZ 3.5Å; F43-F55 VanDerWaalsContact CZ-CZ 3.5Å; F43-V63 HydrophobicContact CE1-CG1 4.3Å; F43-V63 HydrophobicContact CZ-CG1 4.33Å; F43-A74 CarbonylContact O-C 3.37Å; F43-A74 WeakPolarHBondContact O-CA 3.29Å; F43-F75 HydrophobicContact CD1-CB 4.34Å; F43-F75 HydrophobicContact CE1-CB 3.72Å; F43-F75 HydrophobicContact CE2-CB 3.92Å; F43-F75 AromaticContact CE2-CD2 3.91Å; F43-F75 HydrophobicContact CE2-CD2 3.91Å; F43-F75 HydrophobicContact CE2-CG 4.23Å; F43-F75 HydrophobicContact CZ-CB 3.49Å; F43-F75 VanDerWaalsContact CZ-CB 3.49Å; F43-F75 HydrophobicContact CZ-CD2 4.24Å; F43-F75 HydrophobicContact CZ-CG 4.08Å; F43-F75 PolarHBondContact N-O 3.31Å; F43-F75 PolarHBondContact O-N 3.41Å; F43-L77 HydrophobicContact CD1-CD1 4.32Å; F43-L77 HydrophobicContact CE1-CD1 3.76Å; F43-L97 HydrophobicContact CD1-CD1 3.87Å; F43-L97 HydrophobicContact CD1-CD2 4.25Å; F43-L97 HydrophobicContact CD2-CD2 3.77Å; F43-L97 HydrophobicContact CE1-CD1 3.85Å; F43-L97 HydrophobicContact CE1-CD2 4.11Å; F43-L97 HydrophobicContact CE2-CD2 3.61Å; F43-L97 HydrophobicContact CG-CD1 4.35Å; F43-L97 HydrophobicContact CG-CD2 4.09Å; F43-L97 HydrophobicContact CZ-CD1 4.32Å; F43-L97 HydrophobicContact CZ-CD2 3.78Å; F43-L106 HydrophobicContact CB-CD1 4.5Å; F43-L106 HydrophobicContact CD2-CD2 4.37Å; F43-S107 CarbonylContact C-O 3.21Å; F43-S107 VanDerWaalsContact CA-O 3.25Å; F43-S107 WeakPolarHBondContact CA-O 3.49Å; F43-R108 HydrophobicContact CB-CG 3.94Å
44	R	94	Very high	89.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.2	177.2	60.2	173.2	-174.1	79.4	5.1	111.2	Y69 L73 A74 L106 S107 Q109 M114 Q141 E144	R44-Y69 VanDerWaalsContact CD-CZ 3.5Å; R44-L73 CarbonylContact C-O 3.33Å; R44-L73 VanDerWaalsContact CA-O 3.26Å; R44-L73 WeakPolarHBondContact CA-O 3.28Å; R44-A74 HydrophobicContact CB-CB 3.88Å; R44-L106 CarbonylContact O-C 3.47Å; R44-L106 VanDerWaalsContact O-CA 3.23Å; R44-L106 WeakPolarHBondContact O-CA 3.31Å; R44-L106 VanDerWaalsContact O-CB 3.26Å; R44-L106 WeakPolarHBondContact O-CB 3.4Å; R44-S107 PolarHBondContact N-O 3.31Å; R44-S107 PolarHBondContact O-N 3.07Å; R44-Q109 VanDerWaalsContact NE-CD 3.34Å; R44-M114 HydrophobicContact CB-SD 4.32Å; R44-M114 VanDerWaalsContact CD-SD 3.58Å; R44-M114 HydrophobicContact CG-CE 4.49Å; R44-M114 HydrophobicContact CG-SD 4.09Å; R44-Q141 VanDerWaalsContact NH2-CB 3.34Å; R44-E144 IonicContact CZ-OE1 3.99Å; R44-E144 IonicContact CZ-OE2 3.62Å; R44-E144 IonicContact NH1-OE1 3.75Å; R44-E144 PolarHBondContact NH1-OE1 2.85Å; R44-E144 IonicContact NH1-OE2 2.74Å; R44-E144 PolarHBondContact NH1-OE2 2.95Å; R44-E144 VanDerWaalsContact NH2-CD 3.3Å; R44-E144 IonicContact NH2-OE1 2.81Å; R44-E144 PolarHBondContact NH2-OE1 2.93Å; R44-E144 IonicContact NH2-OE2 3.62Å; R44-E144 PolarHBondContact NH2-OE2 2.99Å
45	F	92.2	Very high	89.3	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.7	165.8	-71.7	-84.8	0	0	0	109.9	F43 V51 F55 L73 F75 F96 I105 L106	F43-F45 AromaticContact CE2-CE2 3.91Å; F43-F45 HydrophobicContact CE2-CE2 3.91Å; F43-F45 HydrophobicContact CE2-CZ 4.43Å; F45-V51 HydrophobicContact CE1-CG1 4.14Å; F45-F55 HydrophobicContact CE2-CB 4.23Å; F45-F55 AromaticContact CE2-CD1 3.56Å; F45-F55 HydrophobicContact CE2-CD1 3.56Å; F45-F55 HydrophobicContact CE2-CD2 4.41Å; F45-F55 HydrophobicContact CE2-CE1 4.06Å; F45-F55 AromaticContact CE2-CG 3.79Å; F45-F55 HydrophobicContact CE2-CG 3.79Å; F45-F55 HydrophobicContact CZ-CB 3.62Å; F45-F55 AromaticContact CZ-CD1 3.83Å; F45-F55 HydrophobicContact CZ-CD1 3.83Å; F45-F55 HydrophobicContact CZ-CD2 4.08Å; F45-F55 AromaticContact CZ-CG 3.54Å; F45-F55 HydrophobicContact CZ-CG 3.54Å; F45-L73 HydrophobicContact CB-CD2 4.33Å; F45-L73 PolarHBondContact N-O 2.98Å; F45-F75 HydrophobicContact CD2-CD2 4.1Å; F45-F75 AromaticContact CD2-CE2 3.76Å; F45-F75 HydrophobicContact CD2-CE2 3.76Å; F45-F75 HydrophobicContact CE2-CD2 4.09Å; F45-F75 AromaticContact CE2-CE2 3.87Å; F45-F75 HydrophobicContact CE2-CE2 3.87Å; F45-F96 HydrophobicContact CZ-CE1 4.45Å; F45-I105 HydrophobicContact CD1-CG2 4.33Å; F45-L106 HydrophobicContact CD1-CB 3.97Å; F45-L106 HydrophobicContact CD1-CD2 4.49Å; F45-L106 HydrophobicContact CE1-CB 4.18Å; F45-L106 HydrophobicContact CE1-CD2 3.87Å; F45-L106 HydrophobicContact CG-CB 4.42Å; F45-L106 HydrophobicContact CZ-CD2 4.06Å
46	V	87.9	Confident	88.8	Confident	49 Å²	49	33.2 Å²	33.2	30%	0.297	19%	0.194	S	C	.	.	S	Bend	trans	-69.4	-44.8	175.2	173.4	0	0	0	0	110.6	G104 I105 E144	V46-G104 WeakPolarHBondContact CG2-O 3.4Å; V46-I105 PolarHBondContact N-O 3.18Å; V46-I105 VanDerWaalsContact N-O 3.11Å; V46-E144 HydrophobicContact CB-CG 4.48Å; V46-E144 HydrophobicContact CG1-CB 4.08Å; V46-E144 HydrophobicContact CG1-CG 3.62Å; V46-E144 HydrophobicContact CG2-CG 4.15Å; V46-E144 WeakPolarHBondContact CG2-OE1 3.42Å
47	A	83.2	Confident	88.2	Confident	52 Å²	52	34.5 Å²	34.5	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-150.8	166.8	177.1	0	0	0	0	0	110.2	S49	A47-S49 PolarHBondContact O-N 2.6Å
48	V	82.3	Confident	87.6	Confident	106 Å²	106	34 Å²	34	64%	0.642	20%	0.195	S	C	*	.			trans	-64	122	167.3	-177.9	0	0	0	0	108.2	L73	V48-L73 HydrophobicContact CG2-CD2 3.83Å
49	S	79.9	Confident	87.3	Confident	35 Å²	35	31.8 Å²	31.8	25%	0.245	18%	0.182	C	C	.	.			trans	-143.9	168.8	-177	59.3	0	0	0	0	110.7	A47 V51 S52 Q53	A47-S49 PolarHBondContact O-N 2.6Å; S49-V51 PolarHBondContact O-N 2.99Å; S49-S52 PolarHBondContact N-OG 2.94Å; S49-S52 PolarHBondContact O-N 3.23Å; S49-S52 PolarHBondContact O-OG 2.8Å; S49-S52 PolarHBondContact OG-N 3.08Å; S49-Q53 WeakPolarHBondContact O-CG 3.13Å; S49-Q53 PolarHBondContact O-N 2.53Å
50	L	76.3	Confident	86.7	Confident	32 Å²	32	34.4 Å²	34.4	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-53.3	-40.5	172.2	176.8	54.5	0	0	0	111.5	S52 Q53 L54 L512 L540 L571	L50-S52 PolarHBondContact O-N 3.28Å; L50-Q53 WeakPolarHBondContact O-CB 3.44Å; L50-Q53 PolarHBondContact O-N 3.27Å; L50-Q53 VanDerWaalsContact O-N 3.17Å; L50-L54 HydrophobicContact CD1-CD1 4.43Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 HydrophobicContact CG-CG 4.48Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.84Å; L50-L512 HydrophobicContact CD2-CD2 4.14Å; L50-L540 HydrophobicContact CB-CD2 4.34Å; L50-L540 HydrophobicContact CD2-CD2 4.05Å; L50-L540 HydrophobicContact CG-CD2 4.15Å; L50-L571 HydrophobicContact CD1-CD1 3.94Å; L50-L571 HydrophobicContact CD1-CD2 3.5Å; L50-L571 VanDerWaalsContact CD1-CD2 3.5Å; L50-L571 HydrophobicContact CD1-CG 4.18Å; L50-L571 HydrophobicContact CD2-CD2 4.32Å
51	V	82.9	Confident	86.2	Confident	4 Å²	4	46 Å²	46	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.7	-178.6	0	0	0	0	112	F45 S49 Q53 L54 F55 F96 E100 I105 L540	F45-V51 HydrophobicContact CE1-CG1 4.14Å; S49-V51 PolarHBondContact O-N 2.99Å; V51-Q53 VanDerWaalsContact C-N 3.26Å; V51-Q53 PolarHBondContact O-N 3.09Å; V51-L54 PolarHBondContact O-N 2.79Å; V51-F55 WeakPolarHBondContact O-CB 3.29Å; V51-F55 PolarHBondContact O-N 2.85Å; V51-F96 HydrophobicContact CG1-CE1 4.38Å; V51-F96 HydrophobicContact CG1-CE2 4.18Å; V51-F96 HydrophobicContact CG1-CZ 3.54Å; V51-E100 HydrophobicContact CG1-CG 3.82Å; V51-E100 WeakPolarHBondContact CG1-OE2 3.26Å; V51-I105 HydrophobicContact CB-CG2 3.75Å; V51-I105 HydrophobicContact CG1-CG2 3.84Å; V51-I105 HydrophobicContact CG2-CG2 4.02Å; V51-L540 HydrophobicContact CG2-CD2 3.47Å; V51-L540 VanDerWaalsContact CG2-CD2 3.47Å; V51-L540 HydrophobicContact CG2-CG 4.46Å
52	S	86.3	Confident	85.6	Confident	11 Å²	11	48.2 Å²	48.2	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-30.7	177.2	71.4	0	0	0	0	112.8	S49 L50 S56	S49-S52 PolarHBondContact N-OG 2.94Å; S49-S52 PolarHBondContact O-N 3.23Å; S49-S52 PolarHBondContact O-OG 2.8Å; S49-S52 PolarHBondContact OG-N 3.08Å; L50-S52 PolarHBondContact O-N 3.28Å; S52-S56 WeakPolarHBondContact O-CB 3.48Å; S52-S56 PolarHBondContact O-N 2.78Å; S52-S56 PolarHBondContact O-OG 3.35Å
53	Q	83.5	Confident	85.3	Confident	81 Å²	81	48 Å²	48	38%	0.379	25%	0.247	S	C	.	.	H	α-helix	trans	-73.1	-45	176	-67.7	171.4	0.6	0	0	110.8	S49 L50 V51 F55 S56 H57 W570	S49-Q53 WeakPolarHBondContact O-CG 3.13Å; S49-Q53 PolarHBondContact O-N 2.53Å; L50-Q53 WeakPolarHBondContact O-CB 3.44Å; L50-Q53 PolarHBondContact O-N 3.27Å; L50-Q53 VanDerWaalsContact O-N 3.17Å; V51-Q53 VanDerWaalsContact C-N 3.26Å; V51-Q53 PolarHBondContact O-N 3.09Å; Q53-F55 VanDerWaalsContact C-N 3.32Å; Q53-F55 PolarHBondContact O-N 2.75Å; Q53-S56 PolarHBondContact O-N 3.41Å; Q53-S56 VanDerWaalsContact O-N 3.12Å; Q53-H57 PolarHBondContact O-N 2.81Å; Q53-W570 HydrophobicContact CB-CH2 4.37Å; Q53-W570 VanDerWaalsContact OE1-CH2 3.32Å
54	L	81.5	Confident	85	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-46.7	172.5	-72.9	171.8	0	0	0	111	L50 V51 S56 H57 Q58 H539 L567 L571	L50-L54 HydrophobicContact CD1-CD1 4.43Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 HydrophobicContact CG-CG 4.48Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.84Å; V51-L54 PolarHBondContact O-N 2.79Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 2.94Å; L54-H57 PolarHBondContact O-N 2.81Å; L54-Q58 WeakPolarHBondContact O-CB 3.16Å; L54-Q58 PolarHBondContact O-N 3.47Å; L54-H539 WeakPolarHBondContact CD1-O 3.48Å; L54-L567 HydrophobicContact CD2-CD2 4.39Å; L54-L571 HydrophobicContact CD2-CD1 3.69Å; L54-L571 HydrophobicContact CG-CD1 4.44Å
55	F	88.5	Confident	84.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.1	-47.6	173.3	169.3	-93	0	0	0	111.9	F43 F45 V51 Q53 H57 Q58 F59 N60 V63 F75 L93 F96	F43-F55 HydrophobicContact CE2-CE1 4.48Å; F43-F55 HydrophobicContact CE2-CE2 4.05Å; F43-F55 AromaticContact CE2-CZ 3.97Å; F43-F55 HydrophobicContact CE2-CZ 3.97Å; F43-F55 HydrophobicContact CZ-CE1 4.34Å; F43-F55 AromaticContact CZ-CE2 3.66Å; F43-F55 HydrophobicContact CZ-CE2 3.66Å; F43-F55 AromaticContact CZ-CZ 3.5Å; F43-F55 HydrophobicContact CZ-CZ 3.5Å; F43-F55 VanDerWaalsContact CZ-CZ 3.5Å; F45-F55 HydrophobicContact CE2-CB 4.23Å; F45-F55 AromaticContact CE2-CD1 3.56Å; F45-F55 HydrophobicContact CE2-CD1 3.56Å; F45-F55 HydrophobicContact CE2-CD2 4.41Å; F45-F55 HydrophobicContact CE2-CE1 4.06Å; F45-F55 AromaticContact CE2-CG 3.79Å; F45-F55 HydrophobicContact CE2-CG 3.79Å; F45-F55 HydrophobicContact CZ-CB 3.62Å; F45-F55 AromaticContact CZ-CD1 3.83Å; F45-F55 HydrophobicContact CZ-CD1 3.83Å; F45-F55 HydrophobicContact CZ-CD2 4.08Å; F45-F55 AromaticContact CZ-CG 3.54Å; F45-F55 HydrophobicContact CZ-CG 3.54Å; V51-F55 WeakPolarHBondContact O-CB 3.29Å; V51-F55 PolarHBondContact O-N 2.85Å; Q53-F55 VanDerWaalsContact C-N 3.32Å; Q53-F55 PolarHBondContact O-N 2.75Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.73Å; F55-Q58 PolarHBondContact O-N 3.36Å; F55-F59 HydrophobicContact CD2-CB 3.87Å; F55-F59 AromaticContact CD2-CD2 3.75Å; F55-F59 HydrophobicContact CD2-CD2 3.75Å; F55-F59 HydrophobicContact CD2-CG 4.27Å; F55-F59 HydrophobicContact CE2-CB 3.62Å; F55-F59 HydrophobicContact CE2-CD2 4.24Å; F55-F59 HydrophobicContact CE2-CG 4.34Å; F55-F59 HydrophobicContact CZ-CB 4.21Å; F55-F59 WeakPolarHBondContact O-CA 3.39Å; F55-F59 PolarHBondContact O-N 3.33Å; F55-N60 PolarHBondContact O-N 3.29Å; F55-V63 HydrophobicContact CE1-CG2 4.08Å; F55-V63 HydrophobicContact CZ-CB 4.44Å; F55-V63 HydrophobicContact CZ-CG1 4.05Å; F55-V63 HydrophobicContact CZ-CG2 3.6Å; F55-F75 HydrophobicContact CD1-CE2 4.41Å; F55-F75 HydrophobicContact CD1-CZ 4.42Å; F55-F75 HydrophobicContact CE1-CD1 4.04Å; F55-F75 HydrophobicContact CE1-CD2 4.03Å; F55-F75 AromaticContact CE1-CE1 3.93Å; F55-F75 HydrophobicContact CE1-CE1 3.93Å; F55-F75 AromaticContact CE1-CE2 3.94Å; F55-F75 HydrophobicContact CE1-CE2 3.94Å; F55-F75 HydrophobicContact CE1-CG 4.08Å; F55-F75 AromaticContact CE1-CZ 3.89Å; F55-F75 HydrophobicContact CE1-CZ 3.89Å; F55-F75 HydrophobicContact CZ-CD1 4.47Å; F55-F75 HydrophobicContact CZ-CG 4.35Å; F55-L93 HydrophobicContact CD2-CD1 4.24Å; F55-L93 HydrophobicContact CE2-CD1 3.71Å; F55-F96 HydrophobicContact CB-CE1 3.93Å; F55-F96 HydrophobicContact CB-CZ 3.94Å; F55-F96 HydrophobicContact CD2-CD1 4.26Å; F55-F96 AromaticContact CD2-CE1 3.79Å; F55-F96 HydrophobicContact CD2-CE1 3.79Å; F55-F96 HydrophobicContact CG-CE1 4.29Å
56	S	86.6	Confident	84.5	Confident	52 Å²	52	58.8 Å²	58.8	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-36.2	-178.1	-60.9	0	0	0	0	111.9	S52 Q53 L54 N60	S52-S56 WeakPolarHBondContact O-CB 3.48Å; S52-S56 PolarHBondContact O-N 2.78Å; S52-S56 PolarHBondContact O-OG 3.35Å; Q53-S56 PolarHBondContact O-N 3.41Å; Q53-S56 VanDerWaalsContact O-N 3.12Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 2.94Å; S56-N60 WeakPolarHBondContact O-CB 3.42Å
57	H	82.7	Confident	84.2	Confident	119 Å²	119	59.4 Å²	59.4	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-69.3	-41.5	176.5	-176.4	-96.4	0	0	0	112.1	Q53 L54 F55 P568	Q53-H57 PolarHBondContact O-N 2.81Å; L54-H57 PolarHBondContact O-N 2.81Å; F55-H57 VanDerWaalsContact C-N 3.3Å; F55-H57 PolarHBondContact O-N 2.73Å; H57-P568 HydrophobicContact CB-CG 4.39Å
58	Q	81.8	Confident	84.2	Confident	58 Å²	58	57.6 Å²	57.6	27%	0.271	29%	0.293	S	S	.	.	H	α-helix	trans	-93.2	-35.5	-169.3	-168.3	177.8	9.9	0	0	114.3	L54 F55	L54-Q58 WeakPolarHBondContact O-CB 3.16Å; L54-Q58 PolarHBondContact O-N 3.47Å; F55-Q58 PolarHBondContact O-N 3.36Å
59	F	87.9	Confident	84.5	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.022	27%	0.267	C	S	.	.	H	α-helix	trans	-122.8	-7	-166.8	-58.3	-61.4	0	0	0	114.6	F55 R61 K62 Q92 L93 F96	F55-F59 HydrophobicContact CD2-CB 3.87Å; F55-F59 AromaticContact CD2-CD2 3.75Å; F55-F59 HydrophobicContact CD2-CD2 3.75Å; F55-F59 HydrophobicContact CD2-CG 4.27Å; F55-F59 HydrophobicContact CE2-CB 3.62Å; F55-F59 HydrophobicContact CE2-CD2 4.24Å; F55-F59 HydrophobicContact CE2-CG 4.34Å; F55-F59 HydrophobicContact CZ-CB 4.21Å; F55-F59 WeakPolarHBondContact O-CA 3.39Å; F55-F59 PolarHBondContact O-N 3.33Å; F59-R61 PolarHBondContact O-N 3.17Å; F59-R61 VanDerWaalsContact O-N 3.07Å; F59-K62 HydrophobicContact CD1-CD 4.46Å; F59-K62 WeakPolarHBondContact O-CA 3.16Å; F59-K62 WeakPolarHBondContact O-CB 3.45Å; F59-K62 PolarHBondContact O-N 3.27Å; F59-Q92 HydrophobicContact CE1-CB 4.31Å; F59-L93 HydrophobicContact CB-CD1 4.04Å; F59-L93 HydrophobicContact CD1-CB 3.97Å; F59-L93 HydrophobicContact CD1-CD1 4.18Å; F59-L93 HydrophobicContact CD2-CD1 3.94Å; F59-L93 HydrophobicContact CE1-CB 4.07Å; F59-L93 HydrophobicContact CE2-CD1 4.45Å; F59-L93 HydrophobicContact CG-CB 4.46Å; F59-L93 HydrophobicContact CG-CD1 3.8Å; F59-F96 HydrophobicContact CD2-CD1 4.41Å; F59-F96 HydrophobicContact CE2-CB 4.06Å; F59-F96 HydrophobicContact CE2-CD1 4.15Å; F59-F96 HydrophobicContact CE2-CD2 4.05Å; F59-F96 AromaticContact CE2-CG 3.82Å; F59-F96 HydrophobicContact CE2-CG 3.82Å; F59-F96 HydrophobicContact CZ-CB 4.36Å
60	N	82.4	Confident	84.7	Confident	77 Å²	77	54.2 Å²	54.2	41%	0.412	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.1	-32.2	-174.8	-170.8	40.9	0	0	0	113.7	F55 S56 K62 V63	F55-N60 PolarHBondContact O-N 3.29Å; S56-N60 WeakPolarHBondContact O-CB 3.42Å; N60-K62 PolarHBondContact O-N 3.12Å; N60-V63 PolarHBondContact O-N 3.13Å; N60-V63 VanDerWaalsContact O-O 3.1Å
61	R	83.7	Confident	85.1	Confident	252 Å²	252	59.6 Å²	59.6	95%	0.951	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-70.8	-11.2	177.1	-57.3	-175.1	80.3	173.2	5.3	114.1	F59	F59-R61 PolarHBondContact O-N 3.17Å; F59-R61 VanDerWaalsContact O-N 3.07Å
62	K	84.6	Confident	85.1	Confident	56 Å²	56	61.4 Å²	61.4	24%	0.243	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-101	-5.8	-177.4	-64	-170.8	174.2	-178.1	0	113.4	F59 N60 E89 F90 L93	F59-K62 HydrophobicContact CD1-CD 4.46Å; F59-K62 WeakPolarHBondContact O-CA 3.16Å; F59-K62 WeakPolarHBondContact O-CB 3.45Å; F59-K62 PolarHBondContact O-N 3.27Å; N60-K62 PolarHBondContact O-N 3.12Å; K62-E89 PolarHBondContact NZ-O 3.46Å; K62-F90 HydrophobicContact CB-CE1 3.97Å; K62-F90 HydrophobicContact CD-CE1 4.41Å; K62-L93 HydrophobicContact CB-CD2 4.45Å
63	V	88.6	Confident	85.3	Confident	8 Å²	8	62 Å²	62	5%	0.048	32%	0.32	C	S	.	.	S	Bend	trans	-132.9	166.5	-175.5	-57.9	0	0	0	0	110.4	F43 F55 N60 F75 L77 L93	F43-V63 HydrophobicContact CE1-CG1 4.3Å; F43-V63 HydrophobicContact CZ-CG1 4.33Å; F55-V63 HydrophobicContact CE1-CG2 4.08Å; F55-V63 HydrophobicContact CZ-CB 4.44Å; F55-V63 HydrophobicContact CZ-CG1 4.05Å; F55-V63 HydrophobicContact CZ-CG2 3.6Å; N60-V63 PolarHBondContact O-N 3.13Å; N60-V63 VanDerWaalsContact O-O 3.1Å; V63-F75 HydrophobicContact CB-CB 4.35Å; V63-F75 HydrophobicContact CB-CD1 4.5Å; V63-F75 HydrophobicContact CG2-CB 4.25Å; V63-F75 HydrophobicContact CG2-CD1 3.61Å; V63-F75 HydrophobicContact CG2-CE1 4.34Å; V63-F75 HydrophobicContact CG2-CG 4.21Å; V63-L77 HydrophobicContact CG1-CD1 3.76Å; V63-L77 HydrophobicContact CG1-CD2 4.41Å; V63-L77 HydrophobicContact CG1-CG 3.9Å; V63-L93 HydrophobicContact CG1-CD2 3.89Å
64	F	88.8	Confident	85.8	Confident	132 Å²	132	58.1 Å²	58.1	58%	0.579	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.3	172.8	-55.9	-82.2	0	0	0	109.5	S66 F75 E76 N78	F64-S66 PolarHBondContact O-N 3.02Å; F64-F75 CarbonylContact O-C 3.59Å; F64-F75 VanDerWaalsContact O-CA 3.24Å; F64-F75 WeakPolarHBondContact O-CA 3.32Å; F64-E76 PolarHBondContact N-O 3.33Å; F64-E76 PolarHBondContact O-N 3Å; F64-N78 HydrophobicContact CE2-CB 4.43Å
65	P	87.5	Confident	86.4	Confident	88 Å²	88	58.4 Å²	58.4	57%	0.571	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	132	170.7	27.5	-33	0	0	0	109.6
66	S	86.9	Confident	86.6	Confident	8 Å²	8	60 Å²	60	6%	0.056	31%	0.311	C	S	.	.			trans	-78	123.5	174	-172.1	0	0	0	0	109.2	F64 L68 A74 E76	F64-S66 PolarHBondContact O-N 3.02Å; S66-L68 PolarHBondContact O-N 2.64Å; S66-L68 PolarHBondContact OG-N 2.96Å; S66-A74 PolarHBondContact N-O 2.89Å; S66-E76 VanDerWaalsContact CB-OE1 3.26Å; S66-E76 WeakPolarHBondContact CB-OE1 3.24Å; S66-E76 PolarHBondContact OG-OE1 3.43Å
67	S	81.8	Confident	86.9	Confident	61 Å²	61	57.7 Å²	57.7	43%	0.427	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.5	175	56.5	0	0	0	0	113.3	K301	S67-K301 VanDerWaalsContact O-CB 3.23Å; S67-K301 WeakPolarHBondContact O-CB 3.29Å; S67-K301 WeakPolarHBondContact O-CD 3.46Å
68	L	83	Confident	87.1	Confident	14 Å²	14	58 Å²	58	7%	0.073	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.1	-173.3	-65.5	176.3	0	0	0	113.9	S66 A111 L302 Q359 T361	S66-L68 PolarHBondContact O-N 2.64Å; S66-L68 PolarHBondContact OG-N 2.96Å; L68-A111 HydrophobicContact CD1-CB 3.68Å; L68-L302 HydrophobicContact CD2-CB 4.33Å; L68-L302 HydrophobicContact CD2-CD1 3.58Å; L68-Q359 VanDerWaalsContact CD2-OE1 3.27Å; L68-T361 HydrophobicContact CD1-CG2 3.82Å
69	Y	88.6	Confident	87.5	Confident	23 Å²	23	57.4 Å²	57.4	9%	0.09	30%	0.298	C	S	.	.	S	Bend	trans	-107.3	140.8	-178.5	-155.3	-94.5	0	0	0	110.3	R44 L73 A74 M114 L118	R44-Y69 VanDerWaalsContact CD-CZ 3.5Å; Y69-L73 HydrophobicContact CD1-CB 4.11Å; Y69-L73 HydrophobicContact CE1-CB 4.24Å; Y69-A74 HydrophobicContact CD1-CB 4.25Å; Y69-A74 HydrophobicContact CG-CB 3.79Å; Y69-M114 HydrophobicContact CD2-CB 3.96Å; Y69-M114 HydrophobicContact CD2-CG 4.43Å; Y69-M114 HydrophobicContact CD2-SD 3.62Å; Y69-M114 HydrophobicContact CE2-CB 4.09Å; Y69-M114 HydrophobicContact CE2-SD 4.04Å; Y69-M114 HydrophobicContact CG-SD 4.47Å; Y69-L118 HydrophobicContact CD2-CD1 3.83Å; Y69-L118 HydrophobicContact CE2-CD1 3.92Å; Y69-L118 HydrophobicContact CE2-CD2 4.05Å; Y69-L118 HydrophobicContact CE2-CG 4.28Å
70	P	85.2	Confident	87.7	Confident	48 Å²	48	58.7 Å²	58.7	31%	0.312	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63.2	163.7	177.2	27.6	-36.2	0	0	0	112.6	G72 L73 L118	P70-G72 PolarHBondContact O-N 2.84Å; P70-L73 PolarHBondContact O-N 2.96Å; P70-L118 HydrophobicContact CG-CD2 3.74Å
71	D	83.2	Confident	88.1	Confident	145 Å²	145	60.5 Å²	60.5	78%	0.775	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	59	10.2	170.7	-47.7	-40.2	0	0	0	116.4	L73	D71-L73 HydrophobicContact CB-CD1 4.32Å; D71-L73 HydrophobicContact CB-CG 4.21Å; D71-L73 PolarHBondContact O-N 3.49Å
72	G	84.2	Confident	88.4	Confident	42 Å²	42	53.9 Å²	53.9	43%	0.433	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	67.6	21.4	178.5	0	0	0	0	0	114	P70	P70-G72 PolarHBondContact O-N 2.84Å
73	L	89.8	Confident	88.7	Confident	22 Å²	22	53.9 Å²	53.9	12%	0.115	29%	0.294	C	S	.	.			trans	-82.5	-11.7	-177.1	-67.3	175.7	0	0	0	114.1	R44 F45 V48 Y69 P70 D71	R44-L73 CarbonylContact C-O 3.33Å; R44-L73 VanDerWaalsContact CA-O 3.26Å; R44-L73 WeakPolarHBondContact CA-O 3.28Å; F45-L73 HydrophobicContact CB-CD2 4.33Å; F45-L73 PolarHBondContact N-O 2.98Å; V48-L73 HydrophobicContact CG2-CD2 3.83Å; Y69-L73 HydrophobicContact CD1-CB 4.11Å; Y69-L73 HydrophobicContact CE1-CB 4.24Å; P70-L73 PolarHBondContact O-N 2.96Å; D71-L73 HydrophobicContact CB-CD1 4.32Å; D71-L73 HydrophobicContact CB-CG 4.21Å; D71-L73 PolarHBondContact O-N 3.49Å
74	A	93.7	Very high	88.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.4	179.6	0	0	0	0	0	112.4	F43 R44 S66 Y69	F43-A74 CarbonylContact O-C 3.37Å; F43-A74 WeakPolarHBondContact O-CA 3.29Å; R44-A74 HydrophobicContact CB-CB 3.88Å; S66-A74 PolarHBondContact N-O 2.89Å; Y69-A74 HydrophobicContact CD1-CB 4.25Å; Y69-A74 HydrophobicContact CG-CB 3.79Å
75	F	94.7	Very high	88.9	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.6	-176.7	-61.6	-88.8	0	0	0	110.8	T42 F43 F45 F55 V63 F64	T42-F75 WeakPolarHBondContact CA-O 3.35Å; F43-F75 HydrophobicContact CD1-CB 4.34Å; F43-F75 HydrophobicContact CE1-CB 3.72Å; F43-F75 HydrophobicContact CE2-CB 3.92Å; F43-F75 AromaticContact CE2-CD2 3.91Å; F43-F75 HydrophobicContact CE2-CD2 3.91Å; F43-F75 HydrophobicContact CE2-CG 4.23Å; F43-F75 HydrophobicContact CZ-CB 3.49Å; F43-F75 VanDerWaalsContact CZ-CB 3.49Å; F43-F75 HydrophobicContact CZ-CD2 4.24Å; F43-F75 HydrophobicContact CZ-CG 4.08Å; F43-F75 PolarHBondContact N-O 3.31Å; F43-F75 PolarHBondContact O-N 3.41Å; F45-F75 HydrophobicContact CD2-CD2 4.1Å; F45-F75 AromaticContact CD2-CE2 3.76Å; F45-F75 HydrophobicContact CD2-CE2 3.76Å; F45-F75 HydrophobicContact CE2-CD2 4.09Å; F45-F75 AromaticContact CE2-CE2 3.87Å; F45-F75 HydrophobicContact CE2-CE2 3.87Å; F55-F75 HydrophobicContact CD1-CE2 4.41Å; F55-F75 HydrophobicContact CD1-CZ 4.42Å; F55-F75 HydrophobicContact CE1-CD1 4.04Å; F55-F75 HydrophobicContact CE1-CD2 4.03Å; F55-F75 AromaticContact CE1-CE1 3.93Å; F55-F75 HydrophobicContact CE1-CE1 3.93Å; F55-F75 AromaticContact CE1-CE2 3.94Å; F55-F75 HydrophobicContact CE1-CE2 3.94Å; F55-F75 HydrophobicContact CE1-CG 4.08Å; F55-F75 AromaticContact CE1-CZ 3.89Å; F55-F75 HydrophobicContact CE1-CZ 3.89Å; F55-F75 HydrophobicContact CZ-CD1 4.47Å; F55-F75 HydrophobicContact CZ-CG 4.35Å; V63-F75 HydrophobicContact CB-CB 4.35Å; V63-F75 HydrophobicContact CB-CD1 4.5Å; V63-F75 HydrophobicContact CG2-CB 4.25Å; V63-F75 HydrophobicContact CG2-CD1 3.61Å; V63-F75 HydrophobicContact CG2-CE1 4.34Å; V63-F75 HydrophobicContact CG2-CG 4.21Å; F64-F75 CarbonylContact O-C 3.59Å; F64-F75 VanDerWaalsContact O-CA 3.24Å; F64-F75 WeakPolarHBondContact O-CA 3.32Å
76	E	93.3	Very high	89	Confident	34 Å²	34	60.4 Å²	60.4	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.3	-179	-44.9	-167.1	172.9	0	0	110.8	V41 T42 F64 S66	V41-E76 CarbonylContact O-C 3.36Å; V41-E76 VanDerWaalsContact O-CA 3.31Å; V41-E76 WeakPolarHBondContact O-CA 3.47Å; T42-E76 HydrophobicContact CG2-CB 4.18Å; T42-E76 HydrophobicContact CG2-CG 3.8Å; F64-E76 PolarHBondContact N-O 3.33Å; F64-E76 PolarHBondContact O-N 3Å; S66-E76 VanDerWaalsContact CB-OE1 3.26Å; S66-E76 WeakPolarHBondContact CB-OE1 3.24Å; S66-E76 PolarHBondContact OG-OE1 3.43Å
77	L	92.3	Very high	89.1	Confident	2 Å²	2	64 Å²	64	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.1	164.1	-64.1	84.6	0	0	0	107.5	P40 V41 F43 V63 M79 F84 F90 L93	P40-L77 WeakPolarHBondContact CB-O 3.47Å; V41-L77 HydrophobicContact CB-CB 4.28Å; V41-L77 HydrophobicContact CB-CD1 4.3Å; V41-L77 HydrophobicContact CG1-CD1 4.13Å; V41-L77 PolarHBondContact N-O 2.94Å; V41-L77 PolarHBondContact O-N 3.41Å; F43-L77 HydrophobicContact CD1-CD1 4.32Å; F43-L77 HydrophobicContact CE1-CD1 3.76Å; V63-L77 HydrophobicContact CG1-CD1 3.76Å; V63-L77 HydrophobicContact CG1-CD2 4.41Å; V63-L77 HydrophobicContact CG1-CG 3.9Å; L77-M79 HydrophobicContact CB-CG 4.01Å; L77-M79 HydrophobicContact CD2-SD 4.45Å; L77-M79 PolarHBondContact O-N 2.72Å; L77-F84 HydrophobicContact CD2-CD2 3.64Å; L77-F84 HydrophobicContact CD2-CE2 3.59Å; L77-F90 HydrophobicContact CD2-CD1 3.68Å; L77-F90 HydrophobicContact CD2-CE1 3.57Å; L77-L93 HydrophobicContact CD2-CD2 4.07Å
78	N	87.1	Confident	89.5	Confident	125 Å²	125	65.6 Å²	65.6	67%	0.668	33%	0.327	S	S	*	.	S	Bend	trans	-75.8	55.4	178.9	-164.8	24.2	0	0	0	111.9	F64 N360	F64-N78 HydrophobicContact CE2-CB 4.43Å; N78-N360 PolarHBondContact OD1-ND2 2.99Å
79	M	91.2	Very high	89.7	Confident	47 Å²	47	70.3 Å²	70.3	23%	0.232	35%	0.349	C	S	.	.	S	Bend	trans	-154.2	155.5	175.7	62.8	-178.4	71.4	0	0	109.9	P40 V41 L77 F84 F90	P40-M79 CarbonylContact C-O 3.55Å; P40-M79 WeakPolarHBondContact CA-O 3.27Å; V41-M79 PolarHBondContact N-O 3.42Å; L77-M79 HydrophobicContact CB-CG 4.01Å; L77-M79 HydrophobicContact CD2-SD 4.45Å; L77-M79 PolarHBondContact O-N 2.72Å; M79-F84 HydrophobicContact CG-CB 4.08Å; M79-F84 HydrophobicContact SD-CB 3.86Å; M79-F84 HydrophobicContact SD-CD2 4.13Å; M79-F84 HydrophobicContact SD-CG 4.5Å; M79-F90 HydrophobicContact CE-CD2 3.99Å; M79-F90 HydrophobicContact CE-CE1 4.04Å; M79-F90 HydrophobicContact CE-CE2 3.34Å; M79-F90 HydrophobicContact CE-CZ 3.36Å; M79-F90 HydrophobicContact SD-CD2 4.15Å; M79-F90 HydrophobicContact SD-CE2 4.11Å; M79-F90 HydrophobicContact SD-CG 4.5Å; M79-F90 HydrophobicContact SD-CZ 4.37Å
80	D	91.8	Very high	89.8	Confident	32 Å²	32	70 Å²	70	17%	0.171	35%	0.348	C	S	.	.			trans	-76	163.6	179.7	72.9	87.6	0	0	0	113	D38 K82 S83 F84	D38-D80 HydrophobicContact CB-CB 3.44Å; D38-D80 VanDerWaalsContact CB-CB 3.44Å; D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.33Å; D80-K82 WeakPolarHBondContact OD1-CB 3.47Å; D80-K82 PolarHBondContact OD1-N 3.48Å; D80-S83 PolarHBondContact O-N 2.79Å; D80-S83 PolarHBondContact OD1-N 3.09Å; D80-S83 WeakPolarHBondContact OD2-CB 3.39Å; D80-S83 PolarHBondContact OD2-OG 3.34Å; D80-F84 WeakPolarHBondContact O-CB 3.46Å; D80-F84 PolarHBondContact O-N 3Å
81	K	90.5	Very high	89.9	Confident	114 Å²	114	74.7 Å²	74.7	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-59.4	-28.9	-179.2	-71.4	175.3	175.9	170.1	0	114	V41 R85	V41-K81 HydrophobicContact CG2-CB 4.45Å; V41-K81 HydrophobicContact CG2-CG 3.93Å; K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 VanDerWaalsContact O-CG 3.31Å; K81-R85 WeakPolarHBondContact O-CG 3.38Å; K81-R85 PolarHBondContact O-N 3.34Å; K81-R85 PolarHBondContact O-NE 2.85Å
82	K	89.6	Confident	90	Very high	113 Å²	113	71.5 Å²	71.5	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-79.8	-45.3	-179.9	-60.3	172.2	-178.3	165.4	0	109.9	D80 R85 R86	D80-K82 VanDerWaalsContact C-N 3.26Å; D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.33Å; D80-K82 WeakPolarHBondContact OD1-CB 3.47Å; D80-K82 PolarHBondContact OD1-N 3.48Å; K82-R85 PolarHBondContact O-N 3.38Å; K82-R86 WeakPolarHBondContact O-CG 3.25Å; K82-R86 PolarHBondContact O-N 3.44Å; K82-R86 VanDerWaalsContact O-N 3.17Å
83	S	91.1	Very high	90.3	Very high	57 Å²	57	69.5 Å²	69.5	40%	0.399	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-48.8	175.7	-62.4	0	0	0	0	111.2	D80 R85 R86 H87	D80-S83 PolarHBondContact O-N 2.79Å; D80-S83 PolarHBondContact OD1-N 3.09Å; D80-S83 WeakPolarHBondContact OD2-CB 3.39Å; D80-S83 PolarHBondContact OD2-OG 3.34Å; S83-R85 VanDerWaalsContact C-N 3.28Å; S83-R85 PolarHBondContact O-N 3.43Å; S83-R86 PolarHBondContact O-N 3.17Å; S83-H87 WeakPolarHBondContact O-CB 3.38Å; S83-H87 PolarHBondContact O-N 2.97Å
84	F	92	Very high	90.3	Very high	5 Å²	5	70.5 Å²	70.5	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-53.8	-43.2	176	175.3	-122.9	0	0	0	113.1	V41 L77 M79 D80 R86 F90 L93 H94 L97	V41-F84 HydrophobicContact CG1-CD1 4.2Å; V41-F84 HydrophobicContact CG1-CE1 4.33Å; V41-F84 HydrophobicContact CG2-CB 3.84Å; V41-F84 HydrophobicContact CG2-CD1 3.98Å; V41-F84 HydrophobicContact CG2-CG 4.06Å; L77-F84 HydrophobicContact CD2-CD2 3.64Å; L77-F84 HydrophobicContact CD2-CE2 3.59Å; M79-F84 HydrophobicContact CG-CB 4.08Å; M79-F84 HydrophobicContact SD-CB 3.86Å; M79-F84 HydrophobicContact SD-CD2 4.13Å; M79-F84 HydrophobicContact SD-CG 4.5Å; D80-F84 WeakPolarHBondContact O-CB 3.46Å; D80-F84 PolarHBondContact O-N 3Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.19Å; F84-F90 HydrophobicContact CD2-CB 3.73Å; F84-F90 HydrophobicContact CD2-CD1 4.06Å; F84-F90 AromaticContact CD2-CG 3.99Å; F84-F90 HydrophobicContact CD2-CG 3.99Å; F84-F90 HydrophobicContact CE2-CB 3.72Å; F84-F90 AromaticContact CE2-CD1 3.91Å; F84-F90 HydrophobicContact CE2-CD1 3.91Å; F84-F90 HydrophobicContact CE2-CG 4.11Å; F84-L93 HydrophobicContact CE2-CD2 4.2Å; F84-L93 HydrophobicContact CE2-CG 4.2Å; F84-L93 HydrophobicContact CZ-CG 4.17Å; F84-H94 AromaticContact CD1-CD2 3.89Å; F84-H94 HydrophobicContact CE1-CB 3.9Å; F84-H94 AromaticContact CE1-CD2 3.53Å; F84-H94 HydrophobicContact CE2-CB 4.37Å; F84-H94 HydrophobicContact CZ-CB 3.74Å; F84-L97 HydrophobicContact CE1-CD1 4.14Å; F84-L97 HydrophobicContact CZ-CD1 3.79Å
85	R	89.2	Confident	90	Very high	152 Å²	152	74.9 Å²	74.9	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-67.7	-31.6	179.3	-85.2	-175.4	-78.4	174	-5.4	113.9	K81 K82 S83 H94	K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 VanDerWaalsContact O-CG 3.31Å; K81-R85 WeakPolarHBondContact O-CG 3.38Å; K81-R85 PolarHBondContact O-N 3.34Å; K81-R85 PolarHBondContact O-NE 2.85Å; K82-R85 PolarHBondContact O-N 3.38Å; S83-R85 VanDerWaalsContact C-N 3.28Å; S83-R85 PolarHBondContact O-N 3.43Å; R85-H94 WeakPolarHBondContact CG-NE2 3.45Å
86	R	90.6	Very high	89.8	Confident	207 Å²	207	74.2 Å²	74.2	78%	0.781	34%	0.34	S	S	*	.	H	α-helix	trans	-93.7	-25.7	-174.1	-70.2	176.5	178.2	-178.6	-1.2	112.8	K82 S83 F84 P88	K82-R86 WeakPolarHBondContact O-CG 3.25Å; K82-R86 PolarHBondContact O-N 3.44Å; K82-R86 VanDerWaalsContact O-N 3.17Å; S83-R86 PolarHBondContact O-N 3.17Å; F84-R86 VanDerWaalsContact C-N 3.35Å; F84-R86 PolarHBondContact O-N 3.19Å; R86-P88 WeakPolarHBondContact O-CD 3.42Å
87	H	88.7	Confident	89.7	Confident	84 Å²	84	72.6 Å²	72.6	39%	0.389	33%	0.332	S	S	.	.			trans	-70	119	-172.9	-159.8	-73.2	0	0	0	111.4	S83 E89 F90 R91	S83-H87 WeakPolarHBondContact O-CB 3.38Å; S83-H87 PolarHBondContact O-N 2.97Å; H87-E89 VanDerWaalsContact C-N 3.3Å; H87-E89 IonicContact CE1-OE2 3.77Å; H87-E89 WeakPolarHBondContact ND1-CB 3.4Å; H87-E89 PolarHBondContact O-N 2.89Å; H87-F90 HydrophobicContact CB-CD2 3.82Å; H87-F90 AromaticContact CG-CD2 3.73Å; H87-F90 AromaticContact ND1-CD2 3.52Å; H87-F90 AromaticContact ND1-CE2 3.92Å; H87-F90 PolarHBondContact O-N 3.33Å; H87-R91 PolarHBondContact O-N 3.25Å
88	P	89.6	Confident	89.6	Confident	94 Å²	94	74.8 Å²	74.8	61%	0.61	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-57.8	-38.8	-173	-27.2	35.1	0	0	0	114.2	R86 F90 R91	R86-P88 WeakPolarHBondContact O-CD 3.42Å; P88-F90 PolarHBondContact O-N 3.19Å; P88-R91 VanDerWaalsContact O-CB 3.3Å; P88-R91 WeakPolarHBondContact O-CB 3.1Å; P88-R91 PolarHBondContact O-N 2.85Å; P88-R91 VanDerWaalsContact O-N 3.15Å
89	E	88	Confident	89.6	Confident	113 Å²	113	69 Å²	69	53%	0.528	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.7	179.2	-165.7	-172.9	167.2	0	0	113.6	K62 H87	K62-E89 PolarHBondContact NZ-O 3.46Å; H87-E89 VanDerWaalsContact C-N 3.3Å; H87-E89 IonicContact CE1-OE2 3.77Å; H87-E89 WeakPolarHBondContact ND1-CB 3.4Å; H87-E89 PolarHBondContact O-N 2.89Å
90	F	90	Very high	89.5	Confident	17 Å²	17	66.7 Å²	66.7	8%	0.075	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-98.9	-1.2	-178.5	-68.2	-81.9	0	0	0	113	K62 L77 M79 F84 H87 P88 Q92 L93 H94	K62-F90 HydrophobicContact CB-CE1 3.97Å; K62-F90 HydrophobicContact CD-CE1 4.41Å; L77-F90 HydrophobicContact CD2-CD1 3.68Å; L77-F90 HydrophobicContact CD2-CE1 3.57Å; M79-F90 HydrophobicContact CE-CD2 3.99Å; M79-F90 HydrophobicContact CE-CE1 4.04Å; M79-F90 HydrophobicContact CE-CE2 3.34Å; M79-F90 HydrophobicContact CE-CZ 3.36Å; M79-F90 HydrophobicContact SD-CD2 4.15Å; M79-F90 HydrophobicContact SD-CE2 4.11Å; M79-F90 HydrophobicContact SD-CG 4.5Å; M79-F90 HydrophobicContact SD-CZ 4.37Å; F84-F90 HydrophobicContact CD2-CB 3.73Å; F84-F90 HydrophobicContact CD2-CD1 4.06Å; F84-F90 AromaticContact CD2-CG 3.99Å; F84-F90 HydrophobicContact CD2-CG 3.99Å; F84-F90 HydrophobicContact CE2-CB 3.72Å; F84-F90 AromaticContact CE2-CD1 3.91Å; F84-F90 HydrophobicContact CE2-CD1 3.91Å; F84-F90 HydrophobicContact CE2-CG 4.11Å; H87-F90 HydrophobicContact CB-CD2 3.82Å; H87-F90 AromaticContact CG-CD2 3.73Å; H87-F90 AromaticContact ND1-CD2 3.52Å; H87-F90 AromaticContact ND1-CE2 3.92Å; H87-F90 PolarHBondContact O-N 3.33Å; P88-F90 PolarHBondContact O-N 3.19Å; F90-Q92 VanDerWaalsContact C-N 3.27Å; F90-Q92 PolarHBondContact O-N 2.94Å; F90-L93 HydrophobicContact CD1-CD2 4.14Å; F90-L93 PolarHBondContact O-N 2.83Å; F90-H94 WeakPolarHBondContact O-CB 3.26Å; F90-H94 PolarHBondContact O-N 2.8Å
91	R	87.1	Confident	89.4	Confident	147 Å²	147	65.8 Å²	65.8	56%	0.555	30%	0.299	S	S	*	.	H	α-helix	trans	-54.2	-43.4	-178.5	178.3	178.4	-86.4	142.1	-6.9	112.3	H87 P88 K95	H87-R91 PolarHBondContact O-N 3.25Å; P88-R91 VanDerWaalsContact O-CB 3.3Å; P88-R91 WeakPolarHBondContact O-CB 3.1Å; P88-R91 PolarHBondContact O-N 2.85Å; P88-R91 VanDerWaalsContact O-N 3.15Å; R91-K95 WeakPolarHBondContact O-CG 3.12Å; R91-K95 PolarHBondContact O-N 2.78Å; R91-K95 VanDerWaalsContact O-N 3.09Å
92	Q	84.7	Confident	89.2	Confident	78 Å²	78	62 Å²	62	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-67.3	-49.2	179.5	-66.8	175.8	2	0	0	111.5	F59 F90 H94 K95 F96 L563	F59-Q92 HydrophobicContact CE1-CB 4.31Å; F90-Q92 VanDerWaalsContact C-N 3.27Å; F90-Q92 PolarHBondContact O-N 2.94Å; Q92-H94 VanDerWaalsContact C-N 3.31Å; Q92-H94 PolarHBondContact O-N 3.26Å; Q92-K95 PolarHBondContact O-N 3.23Å; Q92-F96 PolarHBondContact O-N 2.57Å; Q92-L563 HydrophobicContact CB-CD1 4.29Å; Q92-L563 HydrophobicContact CG-CD1 3.66Å
93	L	90.8	Very high	88.9	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-42.2	176.7	175.5	56.4	0	0	0	111.3	F55 F59 K62 V63 L77 F84 F90 K95 F96 L97	F55-L93 HydrophobicContact CD2-CD1 4.24Å; F55-L93 HydrophobicContact CE2-CD1 3.71Å; F59-L93 HydrophobicContact CB-CD1 4.04Å; F59-L93 HydrophobicContact CD1-CB 3.97Å; F59-L93 HydrophobicContact CD1-CD1 4.18Å; F59-L93 HydrophobicContact CD2-CD1 3.94Å; F59-L93 HydrophobicContact CE1-CB 4.07Å; F59-L93 HydrophobicContact CE2-CD1 4.45Å; F59-L93 HydrophobicContact CG-CB 4.46Å; F59-L93 HydrophobicContact CG-CD1 3.8Å; K62-L93 HydrophobicContact CB-CD2 4.45Å; V63-L93 HydrophobicContact CG1-CD2 3.89Å; L77-L93 HydrophobicContact CD2-CD2 4.07Å; F84-L93 HydrophobicContact CE2-CD2 4.2Å; F84-L93 HydrophobicContact CE2-CG 4.2Å; F84-L93 HydrophobicContact CZ-CG 4.17Å; F90-L93 HydrophobicContact CD1-CD2 4.14Å; F90-L93 PolarHBondContact O-N 2.83Å; L93-K95 PolarHBondContact O-N 2.81Å; L93-F96 PolarHBondContact O-N 3.19Å; L93-L97 HydrophobicContact CD1-CD1 4.13Å; L93-L97 HydrophobicContact CD1-CD2 4.08Å; L93-L97 HydrophobicContact CD1-CG 3.77Å; L93-L97 HydrophobicContact CG-CD1 4.21Å; L93-L97 HydrophobicContact CG-CG 4.25Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 3.14Å
94	H	90.9	Very high	88.7	Confident	43 Å²	43	56 Å²	56	20%	0.199	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-45	176.2	175.7	-91.3	0	0	0	111.9	F84 R85 F90 Q92 L97 V98	F84-H94 AromaticContact CD1-CD2 3.89Å; F84-H94 HydrophobicContact CE1-CB 3.9Å; F84-H94 AromaticContact CE1-CD2 3.53Å; F84-H94 HydrophobicContact CE2-CB 4.37Å; F84-H94 HydrophobicContact CZ-CB 3.74Å; R85-H94 WeakPolarHBondContact CG-NE2 3.45Å; F90-H94 WeakPolarHBondContact O-CB 3.26Å; F90-H94 PolarHBondContact O-N 2.8Å; Q92-H94 VanDerWaalsContact C-N 3.31Å; Q92-H94 PolarHBondContact O-N 3.26Å; H94-L97 PolarHBondContact O-N 3.34Å; H94-V98 VanDerWaalsContact O-CG2 3.27Å; H94-V98 WeakPolarHBondContact O-CG2 3.35Å; H94-V98 PolarHBondContact O-N 3.15Å
95	K	87.2	Confident	88.4	Confident	92 Å²	92	57.8 Å²	57.8	40%	0.4	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-48.1	175.9	-75.6	-173.3	177.7	-164.7	0	111.8	R91 Q92 L93 V98 A99 D549	R91-K95 WeakPolarHBondContact O-CG 3.12Å; R91-K95 PolarHBondContact O-N 2.78Å; R91-K95 VanDerWaalsContact O-N 3.09Å; Q92-K95 PolarHBondContact O-N 3.23Å; L93-K95 PolarHBondContact O-N 2.81Å; K95-V98 PolarHBondContact O-N 2.77Å; K95-A99 PolarHBondContact O-N 2.91Å; K95-D549 IonicContact NZ-OD2 3.69Å; K95-D549 PolarHBondContact NZ-OD2 3.11Å
96	F	89.3	Confident	88.5	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-54.6	-54.6	175.8	178.8	-90.8	0	0	0	110.7	F45 V51 F55 F59 Q92 L93 V98 A99 E100 L106 H539	F45-F96 HydrophobicContact CZ-CE1 4.45Å; V51-F96 HydrophobicContact CG1-CE1 4.38Å; V51-F96 HydrophobicContact CG1-CE2 4.18Å; V51-F96 HydrophobicContact CG1-CZ 3.54Å; F55-F96 HydrophobicContact CB-CE1 3.93Å; F55-F96 HydrophobicContact CB-CZ 3.94Å; F55-F96 HydrophobicContact CD2-CD1 4.26Å; F55-F96 AromaticContact CD2-CE1 3.79Å; F55-F96 HydrophobicContact CD2-CE1 3.79Å; F55-F96 HydrophobicContact CG-CE1 4.29Å; F59-F96 HydrophobicContact CD2-CD1 4.41Å; F59-F96 HydrophobicContact CE2-CB 4.06Å; F59-F96 HydrophobicContact CE2-CD1 4.15Å; F59-F96 HydrophobicContact CE2-CD2 4.05Å; F59-F96 AromaticContact CE2-CG 3.82Å; F59-F96 HydrophobicContact CE2-CG 3.82Å; F59-F96 HydrophobicContact CZ-CB 4.36Å; Q92-F96 PolarHBondContact O-N 2.57Å; L93-F96 PolarHBondContact O-N 3.19Å; F96-V98 VanDerWaalsContact C-N 3.26Å; F96-V98 PolarHBondContact O-N 2.93Å; F96-A99 PolarHBondContact O-N 2.94Å; F96-E100 HydrophobicContact CD1-CG 4.08Å; F96-E100 HydrophobicContact CD2-CG 4.17Å; F96-E100 HydrophobicContact CE1-CG 3.81Å; F96-E100 HydrophobicContact CE2-CG 3.92Å; F96-E100 HydrophobicContact CG-CG 4.26Å; F96-E100 HydrophobicContact CZ-CG 3.74Å; F96-E100 WeakPolarHBondContact O-CB 3.46Å; F96-E100 VanDerWaalsContact O-CG 3.31Å; F96-E100 WeakPolarHBondContact O-CG 3.3Å; F96-E100 PolarHBondContact O-N 3.27Å; F96-L106 HydrophobicContact CE1-CD2 4.49Å; F96-H539 AromaticContact CD2-CE1 3.86Å; F96-H539 AromaticContact CD2-ND1 3.77Å
97	L	91.7	Very high	88.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-36	179.6	-67.1	-175.2	0	0	0	112.7	F43 F84 L93 H94 T101 L106	F43-L97 HydrophobicContact CD1-CD1 3.87Å; F43-L97 HydrophobicContact CD1-CD2 4.25Å; F43-L97 HydrophobicContact CD2-CD2 3.77Å; F43-L97 HydrophobicContact CE1-CD1 3.85Å; F43-L97 HydrophobicContact CE1-CD2 4.11Å; F43-L97 HydrophobicContact CE2-CD2 3.61Å; F43-L97 HydrophobicContact CG-CD1 4.35Å; F43-L97 HydrophobicContact CG-CD2 4.09Å; F43-L97 HydrophobicContact CZ-CD1 4.32Å; F43-L97 HydrophobicContact CZ-CD2 3.78Å; F84-L97 HydrophobicContact CE1-CD1 4.14Å; F84-L97 HydrophobicContact CZ-CD1 3.79Å; L93-L97 HydrophobicContact CD1-CD1 4.13Å; L93-L97 HydrophobicContact CD1-CD2 4.08Å; L93-L97 HydrophobicContact CD1-CG 3.77Å; L93-L97 HydrophobicContact CG-CD1 4.21Å; L93-L97 HydrophobicContact CG-CG 4.25Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 3.14Å; H94-L97 PolarHBondContact O-N 3.34Å; L97-T101 VanDerWaalsContact O-CB 3.22Å; L97-T101 WeakPolarHBondContact O-CB 3Å; L97-T101 PolarHBondContact O-N 3.49Å; L97-T101 PolarHBondContact O-OG1 3.48Å; L97-L106 HydrophobicContact CD2-CD1 4.4Å; L97-L106 HydrophobicContact CD2-CD2 3.61Å
98	V	89.6	Confident	88.7	Confident	48 Å²	48	41.9 Å²	41.9	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-66.8	-50.2	177.2	168.2	0	0	0	0	111.4	H94 K95 F96 T101 A102	H94-V98 VanDerWaalsContact O-CG2 3.27Å; H94-V98 WeakPolarHBondContact O-CG2 3.35Å; H94-V98 PolarHBondContact O-N 3.15Å; K95-V98 PolarHBondContact O-N 2.77Å; F96-V98 VanDerWaalsContact C-N 3.26Å; F96-V98 PolarHBondContact O-N 2.93Å; V98-T101 PolarHBondContact O-N 3.4Å; V98-A102 PolarHBondContact O-N 2.87Å; V98-A102 VanDerWaalsContact O-N 3.09Å
99	A	87.1	Confident	88.8	Confident	2 Å²	2	38 Å²	38	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-49.1	-180	0	0	0	0	0	111.3	K95 F96 T101 A102 C103 L535	K95-A99 PolarHBondContact O-N 2.91Å; F96-A99 PolarHBondContact O-N 2.94Å; A99-T101 VanDerWaalsContact C-N 3.32Å; A99-T101 PolarHBondContact O-N 2.86Å; A99-A102 PolarHBondContact O-N 3.03Å; A99-A102 VanDerWaalsContact O-N 3.13Å; A99-C103 PolarHBondContact O-N 3.46Å; A99-C103 VanDerWaalsContact O-N 3.15Å; A99-C103 PolarHBondContact O-SG 3.19Å; A99-C103 VanDerWaalsContact O-SG 3.33Å; A99-L535 HydrophobicContact CB-CB 3.96Å; A99-L535 HydrophobicContact CB-CD1 4.27Å
100	E	89.3	Confident	89	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.7	-29.7	-179.9	-60.1	-45.6	131.2	0	0	112.7	V51 F96 G104 I105 L106 H536 H539	V51-E100 HydrophobicContact CG1-CG 3.82Å; V51-E100 WeakPolarHBondContact CG1-OE2 3.26Å; F96-E100 HydrophobicContact CD1-CG 4.08Å; F96-E100 HydrophobicContact CD2-CG 4.17Å; F96-E100 HydrophobicContact CE1-CG 3.81Å; F96-E100 HydrophobicContact CE2-CG 3.92Å; F96-E100 HydrophobicContact CG-CG 4.26Å; F96-E100 HydrophobicContact CZ-CG 3.74Å; F96-E100 WeakPolarHBondContact O-CB 3.46Å; F96-E100 VanDerWaalsContact O-CG 3.31Å; F96-E100 WeakPolarHBondContact O-CG 3.3Å; F96-E100 PolarHBondContact O-N 3.27Å; E100-G104 PolarHBondContact O-N 2.99Å; E100-I105 HydrophobicContact CB-CB 4.46Å; E100-I105 PolarHBondContact O-N 3.45Å; E100-I105 VanDerWaalsContact O-N 3.15Å; E100-L106 HydrophobicContact CB-CD2 3.54Å; E100-L106 HydrophobicContact CB-CG 3.77Å; E100-L106 HydrophobicContact CG-CD2 4.39Å; E100-L106 PolarHBondContact O-N 2.87Å; E100-H536 IonicContact OE1-ND1 3.56Å; E100-H536 IonicContact OE2-CE1 3.28Å; E100-H536 IonicContact OE2-CG 2.73Å; E100-H536 IonicContact OE2-ND1 3.34Å; E100-H536 PolarHBondContact OE2-ND1 3.22Å; E100-H539 IonicContact OE1-CE1 2.68Å; E100-H539 IonicContact OE1-CG 3.7Å; E100-H539 IonicContact OE1-ND1 2.83Å; E100-H539 PolarHBondContact OE1-ND1 3.18Å
101	T	90.5	Very high	89.2	Confident	13 Å²	13	33.8 Å²	33.8	8%	0.08	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-43.3	171	-59.5	0	0	0	0	110.9	L97 V98 A99 C103 G104 L106 R108 R179	L97-T101 VanDerWaalsContact O-CB 3.22Å; L97-T101 WeakPolarHBondContact O-CB 3Å; L97-T101 PolarHBondContact O-N 3.49Å; L97-T101 PolarHBondContact O-OG1 3.48Å; V98-T101 PolarHBondContact O-N 3.4Å; A99-T101 VanDerWaalsContact C-N 3.32Å; A99-T101 PolarHBondContact O-N 2.86Å; T101-C103 VanDerWaalsContact C-N 3.27Å; T101-C103 PolarHBondContact O-N 3.1Å; T101-G104 PolarHBondContact O-N 2.61Å; T101-G104 VanDerWaalsContact O-N 3.15Å; T101-L106 WeakPolarHBondContact CA-O 3.46Å; T101-L106 WeakPolarHBondContact OG1-CD1 3.23Å; T101-R108 WeakPolarHBondContact OG1-CD 3.37Å; T101-R108 WeakPolarHBondContact OG1-CG 3.27Å; T101-R108 PolarHBondContact OG1-NE 2.72Å; T101-R179 WeakPolarHBondContact O-CD 3.21Å
102	A	86.2	Confident	89.5	Confident	34 Å²	34	27 Å²	27	28%	0.281	14%	0.14	S	C	.	.	H	α-helix	trans	-67.5	-31.2	-176.7	0	0	0	0	0	112.2	V98 A99 G104 E532	V98-A102 PolarHBondContact O-N 2.87Å; V98-A102 VanDerWaalsContact O-N 3.09Å; A99-A102 PolarHBondContact O-N 3.03Å; A99-A102 VanDerWaalsContact O-N 3.13Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-E532 HydrophobicContact CB-CB 3.58Å; A102-E532 HydrophobicContact CB-CG 3.62Å
103	C	84.3	Confident	90	Very high	28 Å²	28	24.1 Å²	24.1	19%	0.189	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.8	175.1	-56.3	0	0	0	0	113.5	A99 T101 I105 E532 H536	A99-C103 PolarHBondContact O-N 3.46Å; A99-C103 VanDerWaalsContact O-N 3.15Å; A99-C103 PolarHBondContact O-SG 3.19Å; A99-C103 VanDerWaalsContact O-SG 3.33Å; T101-C103 VanDerWaalsContact C-N 3.27Å; T101-C103 PolarHBondContact O-N 3.1Å; C103-I105 HydrophobicContact CB-CG1 4.14Å; C103-I105 PolarHBondContact O-N 3.11Å; C103-E532 PolarHBondContact SG-O 2.83Å; C103-H536 HydrophobicContact CB-CB 4.21Å; C103-H536 WeakPolarHBondContact SG-CB 3.14Å
104	G	85	Confident	90.2	Very high	15 Å²	15	24.4 Å²	24.4	16%	0.155	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	6.6	178	0	0	0	0	0	116.1	V46 E100 T101 A102 L106 R179	V46-G104 WeakPolarHBondContact CG2-O 3.4Å; E100-G104 PolarHBondContact O-N 2.99Å; T101-G104 PolarHBondContact O-N 2.61Å; T101-G104 VanDerWaalsContact O-N 3.15Å; A102-G104 VanDerWaalsContact C-N 3.29Å; G104-L106 PolarHBondContact O-N 3.39Å; G104-R179 WeakPolarHBondContact CA-O 3.45Å
105	I	85.8	Confident	90.5	Very high	44 Å²	44	22.5 Å²	22.5	23%	0.226	12%	0.121	C	C	.	.	S	Bend	trans	-67.4	-31.1	176.3	-55.1	-59.6	0	0	0	111.5	F45 V46 V51 E100 C103	F45-I105 HydrophobicContact CD1-CG2 4.33Å; V46-I105 PolarHBondContact N-O 3.18Å; V46-I105 VanDerWaalsContact N-O 3.11Å; V51-I105 HydrophobicContact CB-CG2 3.75Å; V51-I105 HydrophobicContact CG1-CG2 3.84Å; V51-I105 HydrophobicContact CG2-CG2 4.02Å; E100-I105 HydrophobicContact CB-CB 4.46Å; E100-I105 PolarHBondContact O-N 3.45Å; E100-I105 VanDerWaalsContact O-N 3.15Å; C103-I105 HydrophobicContact CB-CG1 4.14Å; C103-I105 PolarHBondContact O-N 3.11Å
106	L	91	Very high	91	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.9	173.1	68	82.1	0	0	0	111.7	F43 R44 F45 F96 L97 E100 T101 G104 R108	F43-L106 HydrophobicContact CB-CD1 4.5Å; F43-L106 HydrophobicContact CD2-CD2 4.37Å; R44-L106 CarbonylContact O-C 3.47Å; R44-L106 VanDerWaalsContact O-CA 3.23Å; R44-L106 WeakPolarHBondContact O-CA 3.31Å; R44-L106 VanDerWaalsContact O-CB 3.26Å; R44-L106 WeakPolarHBondContact O-CB 3.4Å; F45-L106 HydrophobicContact CD1-CB 3.97Å; F45-L106 HydrophobicContact CD1-CD2 4.49Å; F45-L106 HydrophobicContact CE1-CB 4.18Å; F45-L106 HydrophobicContact CE1-CD2 3.87Å; F45-L106 HydrophobicContact CG-CB 4.42Å; F45-L106 HydrophobicContact CZ-CD2 4.06Å; F96-L106 HydrophobicContact CE1-CD2 4.49Å; L97-L106 HydrophobicContact CD2-CD1 4.4Å; L97-L106 HydrophobicContact CD2-CD2 3.61Å; E100-L106 HydrophobicContact CB-CD2 3.54Å; E100-L106 HydrophobicContact CB-CG 3.77Å; E100-L106 HydrophobicContact CG-CD2 4.39Å; E100-L106 PolarHBondContact O-N 2.87Å; T101-L106 WeakPolarHBondContact CA-O 3.46Å; T101-L106 WeakPolarHBondContact OG1-CD1 3.23Å; G104-L106 PolarHBondContact O-N 3.39Å; L106-R108 HydrophobicContact CD1-CG 4.05Å
107	S	91.7	Very high	91.4	Very high	1 Å²	1	18 Å²	18	1%	0.007	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.4	175.4	-170.6	0	0	0	0	110.4	F43 R44 Q109	F43-S107 CarbonylContact C-O 3.21Å; F43-S107 VanDerWaalsContact CA-O 3.25Å; F43-S107 WeakPolarHBondContact CA-O 3.49Å; R44-S107 PolarHBondContact N-O 3.31Å; R44-S107 PolarHBondContact O-N 3.07Å; S107-Q109 PolarHBondContact OG-OE1 3.2Å; S107-Q109 VanDerWaalsContact OG-OE1 3.12Å
108	R	92.3	Very high	91.6	Very high	107 Å²	107	19.6 Å²	19.6	40%	0.404	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.5	168.1	-66.7	-177	-60.8	155.7	5.3	108.8	F43 T101 L106	F43-R108 HydrophobicContact CB-CG 3.94Å; T101-R108 WeakPolarHBondContact OG1-CD 3.37Å; T101-R108 WeakPolarHBondContact OG1-CG 3.27Å; T101-R108 PolarHBondContact OG1-NE 2.72Å; L106-R108 HydrophobicContact CD1-CG 4.05Å
109	Q	91.8	Very high	92	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.061	10%	0.096	C	C	.	.			trans	-151.2	157	-178.6	67.6	-173.3	39.3	0	0	110	T42 R44 S107 M114	T42-Q109 WeakPolarHBondContact CB-O 3.24Å; T42-Q109 PolarHBondContact O-N 2.93Å; T42-Q109 PolarHBondContact OG1-O 2.98Å; R44-Q109 VanDerWaalsContact NE-CD 3.34Å; S107-Q109 PolarHBondContact OG-OE1 3.2Å; S107-Q109 VanDerWaalsContact OG-OE1 3.12Å; Q109-M114 HydrophobicContact CG-CE 3.64Å; Q109-M114 HydrophobicContact CG-CG 3.83Å; Q109-M114 HydrophobicContact CG-SD 3.9Å; Q109-M114 PolarHBondContact NE2-SD 3.45Å; Q109-M114 VanDerWaalsContact O-CE 3.29Å; Q109-M114 WeakPolarHBondContact O-CE 3.18Å
110	E	92.2	Very high	92.6	Very high	32 Å²	32	17.3 Å²	17.3	15%	0.15	10%	0.096	C	C	.	.			trans	-68.9	144.2	177.9	-74.7	162.1	-138.7	0	0	111.7	L39 T42 V112 S113 M114 K226	L39-E110 HydrophobicContact CD1-CG 4.03Å; T42-E110 WeakPolarHBondContact OG1-CA 3.15Å; E110-V112 PolarHBondContact O-N 2.78Å; E110-S113 WeakPolarHBondContact O-CB 2.96Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-M114 VanDerWaalsContact O-CG 3.25Å; E110-M114 WeakPolarHBondContact O-CG 3.37Å; E110-M114 PolarHBondContact O-N 2.92Å; E110-K226 WeakPolarHBondContact OE1-CD 3.46Å; E110-K226 WeakPolarHBondContact OE1-CE 3.47Å; E110-K226 IonicContact OE1-NZ 3.95Å; E110-K226 PolarHBondContact OE1-NZ 3.48Å; E110-K226 IonicContact OE2-NZ 3.87Å; E110-K226 PolarHBondContact OE2-NZ 3.39Å
111	A	93.8	Very high	92.9	Very high	8 Å²	8	20.9 Å²	20.9	7%	0.066	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-48.3	-178.2	0	0	0	0	0	113.3	T42 L68 S113 M114 T361	T42-A111 HydrophobicContact CG2-CB 4.43Å; L68-A111 HydrophobicContact CD1-CB 3.68Å; A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 PolarHBondContact O-N 3.34Å; A111-M114 WeakPolarHBondContact O-CB 3.21Å; A111-M114 VanDerWaalsContact O-CG 3.22Å; A111-M114 WeakPolarHBondContact O-CG 3.44Å; A111-M114 PolarHBondContact O-N 2.73Å; A111-T361 HydrophobicContact CB-CG2 4.03Å
112	V	95.3	Very high	93.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.024	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-69.1	-26.1	178.9	-73.7	0	0	0	0	113.6	E110 M114 I115 P116 I354 T361 F364	E110-V112 PolarHBondContact O-N 2.78Å; V112-M114 PolarHBondContact O-N 2.89Å; V112-I115 HydrophobicContact CB-CD1 4.35Å; V112-I115 HydrophobicContact CG1-CD1 4.1Å; V112-I115 PolarHBondContact O-N 3.33Å; V112-P116 WeakPolarHBondContact O-CD 3.31Å; V112-I354 HydrophobicContact CG1-CB 4.25Å; V112-I354 HydrophobicContact CG1-CG2 3.72Å; V112-T361 HydrophobicContact CG1-CG2 4.1Å; V112-F364 HydrophobicContact CB-CB 3.77Å; V112-F364 HydrophobicContact CB-CD2 4.2Å; V112-F364 HydrophobicContact CB-CG 3.95Å; V112-F364 HydrophobicContact CG1-CB 4.1Å; V112-F364 HydrophobicContact CG2-CB 4.22Å; V112-F364 HydrophobicContact CG2-CD2 4.12Å; V112-F364 HydrophobicContact CG2-CG 4.34Å
113	S	94.5	Very high	93.7	Very high	18 Å²	18	23.4 Å²	23.4	13%	0.126	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-70.9	-14.2	173.9	-65.8	0	0	0	0	112.8	E110 A111 K138	E110-S113 WeakPolarHBondContact O-CB 2.96Å; E110-S113 PolarHBondContact O-N 3.27Å; A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 PolarHBondContact O-N 3.34Å; S113-K138 WeakPolarHBondContact O-CE 3.03Å
114	M	95.5	Very high	94.2	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.034	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-81.3	-19.4	176.8	-36.7	-153.2	-170.9	0	0	113	R44 Y69 Q109 E110 A111 V112 L118 Q141	R44-M114 HydrophobicContact CB-SD 4.32Å; R44-M114 VanDerWaalsContact CD-SD 3.58Å; R44-M114 HydrophobicContact CG-CE 4.49Å; R44-M114 HydrophobicContact CG-SD 4.09Å; Y69-M114 HydrophobicContact CD2-CB 3.96Å; Y69-M114 HydrophobicContact CD2-CG 4.43Å; Y69-M114 HydrophobicContact CD2-SD 3.62Å; Y69-M114 HydrophobicContact CE2-CB 4.09Å; Y69-M114 HydrophobicContact CE2-SD 4.04Å; Y69-M114 HydrophobicContact CG-SD 4.47Å; Q109-M114 HydrophobicContact CG-CE 3.64Å; Q109-M114 HydrophobicContact CG-CG 3.83Å; Q109-M114 HydrophobicContact CG-SD 3.9Å; Q109-M114 PolarHBondContact NE2-SD 3.45Å; Q109-M114 VanDerWaalsContact O-CE 3.29Å; Q109-M114 WeakPolarHBondContact O-CE 3.18Å; E110-M114 VanDerWaalsContact O-CG 3.25Å; E110-M114 WeakPolarHBondContact O-CG 3.37Å; E110-M114 PolarHBondContact O-N 2.92Å; A111-M114 WeakPolarHBondContact O-CB 3.21Å; A111-M114 VanDerWaalsContact O-CG 3.22Å; A111-M114 WeakPolarHBondContact O-CG 3.44Å; A111-M114 PolarHBondContact O-N 2.73Å; V112-M114 PolarHBondContact O-N 2.89Å; M114-L118 WeakPolarHBondContact O-CD1 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.46Å; M114-Q141 PolarHBondContact O-NE2 3.04Å
115	I	96.6	Very high	94.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-49	-168.9	-62.7	170.2	0	0	0	112.4	V112 L118 L119 L299 L302 I354 V366	V112-I115 HydrophobicContact CB-CD1 4.35Å; V112-I115 HydrophobicContact CG1-CD1 4.1Å; V112-I115 PolarHBondContact O-N 3.33Å; I115-L118 WeakPolarHBondContact O-CB 3.47Å; I115-L118 PolarHBondContact O-N 2.68Å; I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.36Å; I115-L119 PolarHBondContact O-N 3.28Å; I115-L299 HydrophobicContact CG2-CD1 3.93Å; I115-L302 HydrophobicContact CD1-CD1 3.63Å; I115-L302 HydrophobicContact CD1-CD2 3.89Å; I115-L302 HydrophobicContact CD1-CG 4.45Å; I115-L302 HydrophobicContact CG1-CD2 4.47Å; I115-L302 HydrophobicContact CG2-CD2 4.17Å; I115-I354 HydrophobicContact CD1-CD1 4.17Å; I115-I354 HydrophobicContact CD1-CG1 4.01Å; I115-V366 HydrophobicContact CG2-CG2 4.21Å
116	P	98.1	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-46.3	-173.3	-25.6	36.2	0	0	0	114	V112 L118 L119 M120 K138 L213 V264 F364 V366	V112-P116 WeakPolarHBondContact O-CD 3.31Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.36Å; P116-L119 PolarHBondContact O-N 3.27Å; P116-L119 VanDerWaalsContact O-N 3.12Å; P116-M120 WeakPolarHBondContact O-CG 3.44Å; P116-K138 HydrophobicContact CB-CD 4.49Å; P116-K138 HydrophobicContact CG-CD 4.44Å; P116-L213 HydrophobicContact CB-CD1 3.62Å; P116-V264 HydrophobicContact CB-CG1 3.84Å; P116-F364 HydrophobicContact CG-CD1 4.42Å; P116-F364 HydrophobicContact CG-CE1 3.39Å; P116-F364 HydrophobicContact CG-CZ 3.9Å; P116-V366 HydrophobicContact CG-CG2 4.18Å
117	P	97.6	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-35.6	175.9	-26.3	37.4	0	0	0	113.7	L119 M120 K138 Q141 I142 M145	P117-L119 PolarHBondContact O-N 3.43Å; P117-M120 WeakPolarHBondContact O-CB 3.41Å; P117-M120 PolarHBondContact O-N 3.47Å; P117-M120 VanDerWaalsContact O-N 3.12Å; P117-K138 HydrophobicContact CG-CB 3.86Å; P117-K138 HydrophobicContact CG-CD 4.45Å; P117-K138 HydrophobicContact CG-CG 4.09Å; P117-Q141 HydrophobicContact CB-CB 4.21Å; P117-Q141 HydrophobicContact CB-CG 3.93Å; P117-Q141 HydrophobicContact CG-CB 4.24Å; P117-Q141 HydrophobicContact CG-CG 4.34Å; P117-I142 HydrophobicContact CB-CG1 3.99Å; P117-I142 HydrophobicContact CG-CG1 4.32Å; P117-M145 HydrophobicContact CB-CE 4.07Å; P117-M145 HydrophobicContact CB-SD 4.13Å
118	L	96.3	Very high	95.8	Very high	35 Å²	35	29.3 Å²	29.3	18%	0.183	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-22.6	179.1	-69.3	167.4	0	0	0	112.9	Y69 P70 M114 I115 P116 M145 L299	Y69-L118 HydrophobicContact CD2-CD1 3.83Å; Y69-L118 HydrophobicContact CE2-CD1 3.92Å; Y69-L118 HydrophobicContact CE2-CD2 4.05Å; Y69-L118 HydrophobicContact CE2-CG 4.28Å; P70-L118 HydrophobicContact CG-CD2 3.74Å; M114-L118 WeakPolarHBondContact O-CD1 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.46Å; I115-L118 WeakPolarHBondContact O-CB 3.47Å; I115-L118 PolarHBondContact O-N 2.68Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.36Å; L118-M145 HydrophobicContact CD2-CE 3.56Å; L118-M145 HydrophobicContact CG-CE 4.06Å; L118-L299 HydrophobicContact CB-CD1 4.21Å; L118-L299 HydrophobicContact CB-CD2 4.21Å; L118-L299 HydrophobicContact CD1-CD1 4.39Å; L118-L299 HydrophobicContact CD1-CD2 3.98Å
119	L	97.7	Very high	96.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.5	179.8	-63.1	171.6	0	0	0	113.1	I115 P116 P117 V264 M298 L299 M352 V366 V368	I115-L119 HydrophobicContact CG2-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CG 4.36Å; I115-L119 PolarHBondContact O-N 3.28Å; P116-L119 PolarHBondContact O-N 3.27Å; P116-L119 VanDerWaalsContact O-N 3.12Å; P117-L119 PolarHBondContact O-N 3.43Å; L119-V264 HydrophobicContact CB-CG2 4.36Å; L119-M298 HydrophobicContact CD2-CB 3.77Å; L119-M298 HydrophobicContact CD2-CG 4.48Å; L119-M298 HydrophobicContact CD2-SD 3.88Å; L119-L299 HydrophobicContact CD2-CD1 4.02Å; L119-L299 HydrophobicContact CD2-CG 4.39Å; L119-L299 HydrophobicContact CG-CD1 4.28Å; L119-M352 HydrophobicContact CD1-CE 3.65Å; L119-M352 HydrophobicContact CD1-SD 3.75Å; L119-M352 HydrophobicContact CD2-CE 3.92Å; L119-M352 HydrophobicContact CG-CE 4.45Å; L119-V366 HydrophobicContact CD1-CB 4.34Å; L119-V366 HydrophobicContact CD1-CG1 3.72Å; L119-V368 HydrophobicContact CB-CG2 3.86Å; L119-V368 HydrophobicContact CD1-CG2 4.17Å; L119-V368 HydrophobicContact CG-CG2 4.49Å
120	M	98.2	Very high	96.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-84.4	-16.2	-178.8	-67.6	178.3	74.4	0	0	113.4	P116 P117 V122 V128 I142 R211 L213 V264	P116-M120 WeakPolarHBondContact O-CG 3.44Å; P117-M120 WeakPolarHBondContact O-CB 3.41Å; P117-M120 PolarHBondContact O-N 3.47Å; P117-M120 VanDerWaalsContact O-N 3.12Å; M120-V122 VanDerWaalsContact C-N 3.31Å; M120-V122 HydrophobicContact CB-CG2 3.7Å; M120-V122 PolarHBondContact O-N 3.25Å; M120-V128 HydrophobicContact CE-CG1 3.44Å; M120-V128 VanDerWaalsContact CE-CG1 3.44Å; M120-I142 HydrophobicContact CE-CD1 4.08Å; M120-I142 HydrophobicContact SD-CD1 3.68Å; M120-I142 HydrophobicContact SD-CG1 3.92Å; M120-R211 HydrophobicContact CE-CB 3.74Å; M120-R211 WeakPolarHBondContact O-CD 3.41Å; M120-R211 PolarHBondContact O-NE 3.04Å; M120-L213 HydrophobicContact CE-CB 3.87Å; M120-L213 HydrophobicContact SD-CB 3.82Å; M120-L213 HydrophobicContact SD-CD1 4.35Å; M120-L213 HydrophobicContact SD-CG 4.47Å; M120-V264 HydrophobicContact CB-CG2 4.39Å; M120-V264 HydrophobicContact CG-CB 4.09Å; M120-V264 HydrophobicContact CG-CG2 3.49Å; M120-V264 VanDerWaalsContact CG-CG2 3.49Å
121	D	96.3	Very high	96.6	Very high	75 Å²	75	22.1 Å²	22.1	40%	0.401	12%	0.115	S	C	.	.			trans	47.6	53.8	-174.2	-175.7	51.1	0	0	0	111.9	K123 H126 R211 L262	D121-K123 WeakPolarHBondContact OD1-CE 3.34Å; D121-K123 IonicContact OD1-NZ 2.75Å; D121-K123 PolarHBondContact OD1-NZ 3.29Å; D121-K123 WeakPolarHBondContact OD2-CE 3.31Å; D121-K123 IonicContact OD2-NZ 2.84Å; D121-H126 PolarHBondContact O-CE1 3.39Å; D121-R211 PolarHBondContact O-NE 3.33Å; D121-R211 PolarHBondContact O-NH2 3.06Å; D121-R211 IonicContact OD2-NH2 3.41Å; D121-R211 PolarHBondContact OD2-NH2 2.99Å; D121-L262 HydrophobicContact CB-CD1 4.49Å
122	V	97.5	Very high	96.8	Very high	12 Å²	12	22.7 Å²	22.7	7%	0.073	12%	0.118	C	C	.	.			trans	-68.8	138.2	-179.5	178.4	0	0	0	0	109.3	M120 V128 I142 M145 L146	M120-V122 VanDerWaalsContact C-N 3.31Å; M120-V122 HydrophobicContact CB-CG2 3.7Å; M120-V122 PolarHBondContact O-N 3.25Å; V122-V128 HydrophobicContact CG1-CG2 4.1Å; V122-V128 HydrophobicContact CG2-CG2 4.48Å; V122-I142 HydrophobicContact CG2-CG2 4.3Å; V122-M145 HydrophobicContact CB-CB 3.83Å; V122-M145 HydrophobicContact CB-SD 4.48Å; V122-M145 HydrophobicContact CG1-CB 4.06Å; V122-M145 HydrophobicContact CG2-SD 4.37Å; V122-L146 HydrophobicContact CG1-CB 4.43Å; V122-L146 HydrophobicContact CG1-CD1 4.15Å
123	K	96.8	Very high	96.8	Very high	87 Å²	87	22.7 Å²	22.7	38%	0.378	12%	0.119	S	C	.	.			trans	-123.5	152.8	177.2	-56.7	-61.7	172.8	-160.6	0	108.8	D121 T125 H126 L146	D121-K123 WeakPolarHBondContact OD1-CE 3.34Å; D121-K123 IonicContact OD1-NZ 2.75Å; D121-K123 PolarHBondContact OD1-NZ 3.29Å; D121-K123 WeakPolarHBondContact OD2-CE 3.31Å; D121-K123 IonicContact OD2-NZ 2.84Å; K123-T125 PolarHBondContact O-N 2.94Å; K123-H126 WeakPolarHBondContact CG-CE1 3.23Å; K123-H126 PolarHBondContact N-ND1 2.63Å; K123-H126 VanDerWaalsContact N-ND1 3.11Å; K123-H126 WeakPolarHBondContact O-CB 3.41Å; K123-H126 PolarHBondContact O-N 3.36Å; K123-L146 VanDerWaalsContact O-CD1 3.28Å; K123-L146 WeakPolarHBondContact O-CD1 3.3Å
124	P	94.6	Very high	96.8	Very high	24 Å²	24	22.2 Å²	22.2	16%	0.156	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.6	-177.6	-28.4	35.4	0	0	0	116	L146 D149 P155 T156 G157	P124-L146 VanDerWaalsContact CA-O 3.23Å; P124-L146 WeakPolarHBondContact CA-O 3.39Å; P124-L146 VanDerWaalsContact CB-O 3.32Å; P124-L146 WeakPolarHBondContact CB-O 3.49Å; P124-L146 WeakPolarHBondContact CG-O 3.25Å; P124-D149 HydrophobicContact CG-CB 3.91Å; P124-P155 HydrophobicContact CB-CB 4.09Å; P124-P155 VanDerWaalsContact O-CB 3.28Å; P124-P155 WeakPolarHBondContact O-CB 3.37Å; P124-T156 PolarHBondContact O-N 3.49Å; P124-G157 WeakPolarHBondContact O-CA 3Å; P124-G157 PolarHBondContact O-N 2.79Å
125	T	95.5	Very high	96.6	Very high	85 Å²	85	25.4 Å²	25.4	52%	0.521	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.7	-179.8	57.1	0	0	0	0	113.9	K123	K123-T125 PolarHBondContact O-N 2.94Å
126	H	97.3	Very high	96.4	Very high	23 Å²	23	25.3 Å²	25.3	11%	0.106	14%	0.137	C	C	.	.			trans	-76.2	140.7	-173.4	-74.8	161.6	0	0	0	112.9	D121 K123 V128 G157 L158 D210 R211	D121-H126 PolarHBondContact O-CE1 3.39Å; K123-H126 WeakPolarHBondContact CG-CE1 3.23Å; K123-H126 PolarHBondContact N-ND1 2.63Å; K123-H126 VanDerWaalsContact N-ND1 3.11Å; K123-H126 WeakPolarHBondContact O-CB 3.41Å; K123-H126 PolarHBondContact O-N 3.36Å; H126-V128 HydrophobicContact CB-CG2 3.97Å; H126-G157 CarbonylContact O-C 3.53Å; H126-G157 WeakPolarHBondContact O-CA 3.38Å; H126-L158 PolarHBondContact O-N 3.25Å; H126-L158 VanDerWaalsContact O-N 3.09Å; H126-D210 HydrophobicContact CB-CB 3.94Å; H126-D210 VanDerWaalsContact CD2-CB 3.45Å; H126-D210 WeakPolarHBondContact CD2-CB 3.31Å; H126-R211 PolarHBondContact CE1-NH2 3.09Å
127	Y	96.4	Very high	96.1	Very high	81 Å²	81	26.6 Å²	26.6	32%	0.318	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.1	162.4	-67.4	-109.2	0	0	0	107.3	L158 M207 D210 R211	Y127-L158 CarbonylContact C-O 3.54Å; Y127-L158 WeakPolarHBondContact CA-O 3.5Å; Y127-L158 HydrophobicContact CD1-CB 4.12Å; Y127-L158 HydrophobicContact CE1-CB 4.35Å; Y127-M207 HydrophobicContact CD1-CG 4.26Å; Y127-M207 HydrophobicContact CD1-SD 3.82Å; Y127-M207 HydrophobicContact CE1-SD 4.04Å; Y127-D210 PolarHBondContact N-OD2 3.42Å; Y127-D210 PolarHBondContact O-N 3.35Å; Y127-R211 PolarHBondContact O-N 3.25Å
128	V	98	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.7	-174.5	-169.8	0	0	0	0	110.2	M120 V122 H126 I142 L158 V159 V160 R211	M120-V128 HydrophobicContact CE-CG1 3.44Å; M120-V128 VanDerWaalsContact CE-CG1 3.44Å; V122-V128 HydrophobicContact CG1-CG2 4.1Å; V122-V128 HydrophobicContact CG2-CG2 4.48Å; H126-V128 HydrophobicContact CB-CG2 3.97Å; V128-I142 HydrophobicContact CB-CG2 3.99Å; V128-I142 HydrophobicContact CG1-CD1 4.34Å; V128-I142 HydrophobicContact CG1-CG2 3.6Å; V128-I142 HydrophobicContact CG2-CG2 4.19Å; V128-L158 PolarHBondContact N-O 3.04Å; V128-V159 HydrophobicContact CB-CG2 4.4Å; V128-V159 CarbonylContact O-C 3.58Å; V128-V159 WeakPolarHBondContact O-CA 3.46Å; V128-V160 PolarHBondContact O-N 3.04Å; V128-R211 CarbonylContact C-O 3.48Å; V128-R211 VanDerWaalsContact CA-O 3.3Å; V128-R211 WeakPolarHBondContact CA-O 3.25Å; V128-R211 HydrophobicContact CB-CB 4.44Å; V128-R211 HydrophobicContact CG1-CB 3.98Å; V128-R211 HydrophobicContact CG2-CB 4.12Å
129	L	97.6	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124	171.5	177.5	61.5	0	0	0	110.1	M131 V160 N162 M195 F209 R211 I212 L213 L256	L129-M131 HydrophobicContact CD2-CE 3.44Å; L129-M131 VanDerWaalsContact CD2-CE 3.44Å; L129-M131 HydrophobicContact CD2-SD 4.13Å; L129-M131 HydrophobicContact CG-CE 4.4Å; L129-V160 WeakPolarHBondContact CA-O 3.45Å; L129-V160 HydrophobicContact CD1-CB 3.94Å; L129-V160 HydrophobicContact CD1-CG1 3.79Å; L129-V160 WeakPolarHBondContact CD1-O 3.4Å; L129-N162 HydrophobicContact CD1-CB 4.43Å; L129-M195 HydrophobicContact CD1-CE 3.9Å; L129-F209 HydrophobicContact CB-CB 4.37Å; L129-F209 HydrophobicContact CB-CD1 3.63Å; L129-F209 HydrophobicContact CB-CD2 3.84Å; L129-F209 HydrophobicContact CB-CE1 3.78Å; L129-F209 HydrophobicContact CB-CE2 4Å; L129-F209 HydrophobicContact CB-CG 3.66Å; L129-F209 HydrophobicContact CB-CZ 3.96Å; L129-F209 HydrophobicContact CD1-CZ 4.22Å; L129-F209 HydrophobicContact CD2-CD2 3.94Å; L129-F209 HydrophobicContact CD2-CE2 3.74Å; L129-F209 HydrophobicContact CD2-CZ 4.22Å; L129-F209 HydrophobicContact CG-CE2 4.32Å; L129-F209 HydrophobicContact CG-CZ 4.37Å; L129-R211 PolarHBondContact N-O 3.19Å; L129-I212 HydrophobicContact CB-CG1 4.08Å; L129-I212 HydrophobicContact CB-CG2 4.27Å; L129-I212 HydrophobicContact CD2-CD1 4.32Å; L129-I212 HydrophobicContact CD2-CG2 4.36Å; L129-I212 HydrophobicContact CG-CG2 4.39Å; L129-I212 CarbonylContact O-C 3.3Å; L129-I212 WeakPolarHBondContact O-CA 3.11Å; L129-L213 PolarHBondContact O-N 2.85Å; L129-L256 HydrophobicContact CD2-CD1 4.05Å
130	D	97.9	Very high	95.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	103.6	164.4	-172.1	-5.9	0	0	0	108	A133 T139 I142 V160 N162	D130-A133 HydrophobicContact CB-CB 3.95Å; D130-A133 WeakPolarHBondContact OD1-CA 3.04Å; D130-T139 PolarHBondContact OD2-N 3.33Å; D130-T139 PolarHBondContact OD2-OG1 3.11Å; D130-I142 HydrophobicContact CB-CD1 4.49Å; D130-V160 PolarHBondContact N-O 3.22Å; D130-N162 PolarHBondContact O-N 3.2Å
131	M	97.3	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-28.6	-164.5	-174	61.3	87.9	0	0	113.6	L129 N162 A192 M195 L213 I249 C253 L256	L129-M131 HydrophobicContact CD2-CE 3.44Å; L129-M131 VanDerWaalsContact CD2-CE 3.44Å; L129-M131 HydrophobicContact CD2-SD 4.13Å; L129-M131 HydrophobicContact CG-CE 4.4Å; M131-N162 CarbonylContact C-O 3.58Å; M131-N162 PolarHBondContact O-ND2 3.02Å; M131-N162 VanDerWaalsContact O-O 3.1Å; M131-A192 HydrophobicContact CG-CB 3.6Å; M131-A192 HydrophobicContact SD-CB 3.78Å; M131-M195 HydrophobicContact CE-CB 4.01Å; M131-M195 HydrophobicContact CE-CG 4.15Å; M131-M195 HydrophobicContact SD-CB 3.98Å; M131-M195 HydrophobicContact SD-CG 4.11Å; M131-L213 WeakPolarHBondContact CB-O 3.27Å; M131-L213 PolarHBondContact N-O 3.12Å; M131-I249 HydrophobicContact CG-CG2 3.76Å; M131-C253 WeakPolarHBondContact CE-SG 3.19Å; M131-L256 HydrophobicContact CE-CD1 3.86Å
132	C	97.6	Very high	95.5	Very high	20 Å²	20	22.6 Å²	22.6	14%	0.135	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	62.8	-177.2	-69.6	0	0	0	0	109	N162 D215	C132-N162 CarbonylContact C-O 3.51Å; C132-N162 WeakPolarHBondContact CA-O 3.27Å; C132-N162 PolarHBondContact N-O 3.01Å; C132-D215 VanDerWaalsContact CB-O 3.25Å; C132-D215 WeakPolarHBondContact CB-O 3.5Å
133	A	96.6	Very high	95.2	Very high	5 Å²	5	22 Å²	22	4%	0.041	12%	0.12	C	C	.	.			trans	-77.8	-29.6	-157.2	0	0	0	0	0	115.3	D130 G136 A161 N162 L172	D130-A133 HydrophobicContact CB-CB 3.95Å; D130-A133 WeakPolarHBondContact OD1-CA 3.04Å; A133-G136 VanDerWaalsContact O-CA 3.25Å; A133-G136 WeakPolarHBondContact O-CA 2.8Å; A133-G136 PolarHBondContact O-N 3.22Å; A133-A161 HydrophobicContact CB-CB 3.86Å; A133-N162 WeakPolarHBondContact CB-O 3.45Å; A133-N162 PolarHBondContact N-O 3.4Å; A133-L172 HydrophobicContact CB-CD1 4.19Å; A133-L172 HydrophobicContact CB-CD2 3.67Å
134	A	93.4	Very high	95	Very high	8 Å²	8	19.3 Å²	19.3	7%	0.066	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	143.2	-173.3	0	0	0	0	0	111.1	D163 R168 L172	A134-D163 HydrophobicContact CB-CB 3.95Å; A134-D163 WeakPolarHBondContact CB-OD2 3.22Å; A134-D163 PolarHBondContact N-OD2 3.46Å; A134-R168 HydrophobicContact CB-CB 3.63Å; A134-R168 PolarHBondContact O-NH2 3.14Å; A134-L172 HydrophobicContact CB-CB 4.28Å
135	P	92	Very high	94.9	Very high	74 Å²	74	19.8 Å²	19.8	48%	0.481	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.8	-1.1	9.6	34.9	-37.6	0	0	0	115.5	L172 Q175	P135-L172 WeakPolarHBondContact O-CA 3.22Å; P135-Q175 VanDerWaalsContact O-CB 3.25Å; P135-Q175 WeakPolarHBondContact O-CB 3.31Å; P135-Q175 WeakPolarHBondContact O-CG 3.26Å
136	G	91.7	Very high	94.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.			trans	108.4	4.3	171.4	0	0	0	0	0	117.2	A133 K138 T139 V140	A133-G136 VanDerWaalsContact O-CA 3.25Å; A133-G136 WeakPolarHBondContact O-CA 2.8Å; A133-G136 PolarHBondContact O-N 3.22Å; G136-K138 VanDerWaalsContact C-N 3.35Å; G136-K138 PolarHBondContact O-N 3.37Å; G136-T139 PolarHBondContact O-N 2.86Å; G136-V140 WeakPolarHBondContact O-CB 3.18Å; G136-V140 WeakPolarHBondContact O-CG2 3.21Å; G136-V140 PolarHBondContact O-N 3.22Å
137	S	92.2	Very high	94.4	Very high	27 Å²	27	17.7 Å²	17.7	19%	0.189	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-40.5	179.6	-59.9	0	0	0	0	112.7	Q141	S137-Q141 PolarHBondContact O-N 2.89Å
138	K	95.4	Very high	94	Very high	23 Å²	23	17.8 Å²	17.8	10%	0.1	11%	0.106	C	C	.	.	H	α-helix	trans	-72.6	-41.2	176.5	-64.7	-170.9	-176.6	76.8	0	111.3	S113 P116 P117 G136 V140 Q141 I142 L213 D215	S113-K138 WeakPolarHBondContact O-CE 3.03Å; P116-K138 HydrophobicContact CB-CD 4.49Å; P116-K138 HydrophobicContact CG-CD 4.44Å; P117-K138 HydrophobicContact CG-CB 3.86Å; P117-K138 HydrophobicContact CG-CD 4.45Å; P117-K138 HydrophobicContact CG-CG 4.09Å; G136-K138 VanDerWaalsContact C-N 3.35Å; G136-K138 PolarHBondContact O-N 3.37Å; K138-V140 VanDerWaalsContact C-N 3.31Å; K138-V140 PolarHBondContact O-N 3.41Å; K138-Q141 WeakPolarHBondContact O-CB 2.82Å; K138-Q141 PolarHBondContact O-N 3.17Å; K138-Q141 VanDerWaalsContact O-N 3.12Å; K138-I142 WeakPolarHBondContact O-CG1 3.04Å; K138-I142 PolarHBondContact O-N 3.45Å; K138-L213 HydrophobicContact CB-CD2 3.77Å; K138-L213 HydrophobicContact CD-CD2 3.78Å; K138-L213 HydrophobicContact CG-CD2 4.41Å; K138-D215 HydrophobicContact CD-CB 4.31Å; K138-D215 VanDerWaalsContact CE-OD2 3.32Å; K138-D215 WeakPolarHBondContact CE-OD2 3.13Å; K138-D215 IonicContact NZ-OD1 3.75Å; K138-D215 IonicContact NZ-OD2 3.06Å; K138-D215 PolarHBondContact NZ-OD2 2.6Å
139	T	95.5	Very high	93.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.4	-46.1	173.1	-42.2	0	0	0	0	112.2	D130 G136 Q141 I142 L143 V159 A161 L172	D130-T139 PolarHBondContact OD2-N 3.33Å; D130-T139 PolarHBondContact OD2-OG1 3.11Å; G136-T139 PolarHBondContact O-N 2.86Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.17Å; T139-I142 WeakPolarHBondContact O-CB 3.27Å; T139-I142 PolarHBondContact O-N 3.27Å; T139-L143 HydrophobicContact CG2-CD1 4.48Å; T139-L143 WeakPolarHBondContact O-CG 3.5Å; T139-L143 PolarHBondContact O-N 2.79Å; T139-V159 HydrophobicContact CG2-CG1 3.92Å; T139-A161 HydrophobicContact CG2-CB 3.46Å; T139-A161 VanDerWaalsContact CG2-CB 3.46Å; T139-L172 HydrophobicContact CG2-CD1 4.23Å
140	V	92.7	Very high	92.3	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-43.1	177.9	171.7	0	0	0	0	110.8	G136 K138 I142 L143 E144 Q175 A176 R179	G136-V140 WeakPolarHBondContact O-CB 3.18Å; G136-V140 WeakPolarHBondContact O-CG2 3.21Å; G136-V140 PolarHBondContact O-N 3.22Å; K138-V140 VanDerWaalsContact C-N 3.31Å; K138-V140 PolarHBondContact O-N 3.41Å; V140-I142 VanDerWaalsContact C-N 3.31Å; V140-I142 PolarHBondContact O-N 3.43Å; V140-L143 WeakPolarHBondContact O-CB 3.31Å; V140-L143 PolarHBondContact O-N 2.66Å; V140-L143 VanDerWaalsContact O-N 3.14Å; V140-E144 HydrophobicContact CG1-CG 4.42Å; V140-E144 VanDerWaalsContact CG1-OE1 3.29Å; V140-E144 WeakPolarHBondContact CG1-OE1 3.36Å; V140-E144 WeakPolarHBondContact O-CG 3.08Å; V140-E144 PolarHBondContact O-N 3.31Å; V140-Q175 HydrophobicContact CG2-CG 4.24Å; V140-Q175 WeakPolarHBondContact CG2-O 3.49Å; V140-A176 HydrophobicContact CG2-CB 4.18Å; V140-R179 VanDerWaalsContact CG2-NH2 3.35Å
141	Q	93.8	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-39.5	175.7	-168.7	176.2	-17	0	0	112.6	R44 M114 P117 S137 K138 T139 E144 M145	R44-Q141 VanDerWaalsContact NH2-CB 3.34Å; M114-Q141 PolarHBondContact O-NE2 3.04Å; P117-Q141 HydrophobicContact CB-CB 4.21Å; P117-Q141 HydrophobicContact CB-CG 3.93Å; P117-Q141 HydrophobicContact CG-CB 4.24Å; P117-Q141 HydrophobicContact CG-CG 4.34Å; S137-Q141 PolarHBondContact O-N 2.89Å; K138-Q141 WeakPolarHBondContact O-CB 2.82Å; K138-Q141 PolarHBondContact O-N 3.17Å; K138-Q141 VanDerWaalsContact O-N 3.12Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.17Å; Q141-E144 PolarHBondContact O-N 2.75Å; Q141-M145 HydrophobicContact CG-CE 3.91Å; Q141-M145 VanDerWaalsContact O-CG 3.27Å; Q141-M145 WeakPolarHBondContact O-CG 3.09Å; Q141-M145 PolarHBondContact O-N 3.21Å
142	I	95.6	Very high	90.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-43	173.6	-67.6	166.6	0	0	0	110.6	P117 M120 V122 V128 D130 K138 T139 V140 E144 M145 L146 V159 L213	P117-I142 HydrophobicContact CB-CG1 3.99Å; P117-I142 HydrophobicContact CG-CG1 4.32Å; M120-I142 HydrophobicContact CE-CD1 4.08Å; M120-I142 HydrophobicContact SD-CD1 3.68Å; M120-I142 HydrophobicContact SD-CG1 3.92Å; V122-I142 HydrophobicContact CG2-CG2 4.3Å; V128-I142 HydrophobicContact CB-CG2 3.99Å; V128-I142 HydrophobicContact CG1-CD1 4.34Å; V128-I142 HydrophobicContact CG1-CG2 3.6Å; V128-I142 HydrophobicContact CG2-CG2 4.19Å; D130-I142 HydrophobicContact CB-CD1 4.49Å; K138-I142 WeakPolarHBondContact O-CG1 3.04Å; K138-I142 PolarHBondContact O-N 3.45Å; T139-I142 WeakPolarHBondContact O-CB 3.27Å; T139-I142 PolarHBondContact O-N 3.27Å; V140-I142 VanDerWaalsContact C-N 3.31Å; V140-I142 PolarHBondContact O-N 3.43Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.04Å; I142-M145 PolarHBondContact O-N 3.45Å; I142-L146 PolarHBondContact O-N 3.3Å; I142-V159 HydrophobicContact CG2-CG1 4.23Å; I142-V159 HydrophobicContact CG2-CG2 3.73Å; I142-L213 HydrophobicContact CD1-CB 4.22Å; I142-L213 HydrophobicContact CD1-CD2 3.92Å
143	L	92.4	Very high	89.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-42.6	176.6	-78.1	166.3	0	0	0	111.9	T139 V140 M145 L146 H147 V159 A176 C184 C185	T139-L143 HydrophobicContact CG2-CD1 4.48Å; T139-L143 WeakPolarHBondContact O-CG 3.5Å; T139-L143 PolarHBondContact O-N 2.79Å; V140-L143 WeakPolarHBondContact O-CB 3.31Å; V140-L143 PolarHBondContact O-N 2.66Å; V140-L143 VanDerWaalsContact O-N 3.14Å; L143-M145 VanDerWaalsContact C-N 3.31Å; L143-M145 PolarHBondContact O-N 3.4Å; L143-L146 WeakPolarHBondContact O-CB 3.43Å; L143-L146 PolarHBondContact O-N 2.9Å; L143-H147 PolarHBondContact O-CD2 3.43Å; L143-H147 PolarHBondContact O-N 3.17Å; L143-V159 HydrophobicContact CD2-CB 3.78Å; L143-V159 HydrophobicContact CD2-CG2 3.46Å; L143-V159 VanDerWaalsContact CD2-CG2 3.46Å; L143-V159 HydrophobicContact CG-CB 4.18Å; L143-V159 HydrophobicContact CG-CG2 3.86Å; L143-A176 HydrophobicContact CD1-CB 4.28Å; L143-C184 WeakPolarHBondContact CD2-O 3.24Å; L143-C185 HydrophobicContact CD1-CB 3.89Å; L143-C185 HydrophobicContact CD2-CB 3.8Å; L143-C185 HydrophobicContact CG-CB 4.44Å
144	E	91.1	Very high	88.6	Confident	30 Å²	30	39.9 Å²	39.9	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-41.1	175.4	-63.9	159	-171.3	0	0	111.4	R44 V46 V140 Q141 I142 L146 H147 S148	R44-E144 IonicContact CZ-OE1 3.99Å; R44-E144 IonicContact CZ-OE2 3.62Å; R44-E144 IonicContact NH1-OE1 3.75Å; R44-E144 PolarHBondContact NH1-OE1 2.85Å; R44-E144 IonicContact NH1-OE2 2.74Å; R44-E144 PolarHBondContact NH1-OE2 2.95Å; R44-E144 VanDerWaalsContact NH2-CD 3.3Å; R44-E144 IonicContact NH2-OE1 2.81Å; R44-E144 PolarHBondContact NH2-OE1 2.93Å; R44-E144 IonicContact NH2-OE2 3.62Å; R44-E144 PolarHBondContact NH2-OE2 2.99Å; V46-E144 HydrophobicContact CB-CG 4.48Å; V46-E144 HydrophobicContact CG1-CB 4.08Å; V46-E144 HydrophobicContact CG1-CG 3.62Å; V46-E144 HydrophobicContact CG2-CG 4.15Å; V46-E144 WeakPolarHBondContact CG2-OE1 3.42Å; V140-E144 HydrophobicContact CG1-CG 4.42Å; V140-E144 VanDerWaalsContact CG1-OE1 3.29Å; V140-E144 WeakPolarHBondContact CG1-OE1 3.36Å; V140-E144 WeakPolarHBondContact O-CG 3.08Å; V140-E144 PolarHBondContact O-N 3.31Å; Q141-E144 PolarHBondContact O-N 2.75Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.04Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.49Å; E144-H147 CarbonylContact O-C 3.53Å; E144-H147 WeakPolarHBondContact O-CA 3.31Å; E144-H147 PolarHBondContact O-N 3.25Å; E144-H147 VanDerWaalsContact O-N 3.1Å; E144-S148 PolarHBondContact O-N 2.85Å
145	M	92.9	Very high	88.4	Confident	34 Å²	34	39.8 Å²	39.8	17%	0.167	25%	0.25	C	S	.	.	H	α-helix	trans	-66.5	-31.8	175.3	-66.7	167.9	174.4	0	0	112.6	P117 L118 V122 Q141 I142 L143 H147 S148	P117-M145 HydrophobicContact CB-CE 4.07Å; P117-M145 HydrophobicContact CB-SD 4.13Å; L118-M145 HydrophobicContact CD2-CE 3.56Å; L118-M145 HydrophobicContact CG-CE 4.06Å; V122-M145 HydrophobicContact CB-CB 3.83Å; V122-M145 HydrophobicContact CB-SD 4.48Å; V122-M145 HydrophobicContact CG1-CB 4.06Å; V122-M145 HydrophobicContact CG2-SD 4.37Å; Q141-M145 HydrophobicContact CG-CE 3.91Å; Q141-M145 VanDerWaalsContact O-CG 3.27Å; Q141-M145 WeakPolarHBondContact O-CG 3.09Å; Q141-M145 PolarHBondContact O-N 3.21Å; I142-M145 PolarHBondContact O-N 3.45Å; L143-M145 VanDerWaalsContact C-N 3.31Å; L143-M145 PolarHBondContact O-N 3.4Å; M145-H147 PolarHBondContact O-N 3.42Å; M145-S148 VanDerWaalsContact O-CB 3.28Å; M145-S148 WeakPolarHBondContact O-CB 3.42Å; M145-S148 PolarHBondContact O-N 3.12Å; M145-S148 PolarHBondContact O-OG 3.47Å
146	L	92.6	Very high	88.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-30.7	172.9	-163.2	75.1	0	0	0	111.4	V122 K123 P124 I142 L143 E144 S148 P155 V159 C184	V122-L146 HydrophobicContact CG1-CB 4.43Å; V122-L146 HydrophobicContact CG1-CD1 4.15Å; K123-L146 VanDerWaalsContact O-CD1 3.28Å; K123-L146 WeakPolarHBondContact O-CD1 3.3Å; P124-L146 VanDerWaalsContact CA-O 3.23Å; P124-L146 WeakPolarHBondContact CA-O 3.39Å; P124-L146 VanDerWaalsContact CB-O 3.32Å; P124-L146 WeakPolarHBondContact CB-O 3.49Å; P124-L146 WeakPolarHBondContact CG-O 3.25Å; I142-L146 PolarHBondContact O-N 3.3Å; L143-L146 WeakPolarHBondContact O-CB 3.43Å; L143-L146 PolarHBondContact O-N 2.9Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.49Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-P155 HydrophobicContact CD2-CB 4.2Å; L146-P155 HydrophobicContact CG-CB 3.89Å; L146-P155 HydrophobicContact CG-CG 4.31Å; L146-P155 WeakPolarHBondContact O-CG 3.33Å; L146-V159 HydrophobicContact CD2-CG2 4.21Å; L146-C184 HydrophobicContact CD2-CB 3.68Å
147	H	90.4	Very high	88.5	Confident	63 Å²	63	41.4 Å²	41.4	29%	0.292	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	21.8	176.1	-79.3	-85.3	0	0	0	113.6	L143 E144 M145 D149 P155 S182	L143-H147 PolarHBondContact O-CD2 3.43Å; L143-H147 PolarHBondContact O-N 3.17Å; E144-H147 CarbonylContact O-C 3.53Å; E144-H147 WeakPolarHBondContact O-CA 3.31Å; E144-H147 PolarHBondContact O-N 3.25Å; E144-H147 VanDerWaalsContact O-N 3.1Å; M145-H147 PolarHBondContact O-N 3.42Å; H147-D149 PolarHBondContact O-N 3.39Å; H147-P155 WeakPolarHBondContact CE1-CD 3.44Å; H147-P155 WeakPolarHBondContact ND1-CD 3.21Å; H147-S182 PolarHBondContact NE2-OG 2.93Å
148	S	87.9	Confident	88.5	Confident	83 Å²	83	42.1 Å²	42.1	58%	0.58	26%	0.261	S	S	*	.			trans	-65.3	-21.7	-177.1	65.8	0	0	0	0	114.5	E144 M145 L146	E144-S148 PolarHBondContact O-N 2.85Å; M145-S148 VanDerWaalsContact O-CB 3.28Å; M145-S148 WeakPolarHBondContact O-CB 3.42Å; M145-S148 PolarHBondContact O-N 3.12Å; M145-S148 PolarHBondContact O-OG 3.47Å; L146-S148 VanDerWaalsContact C-N 3.33Å
149	D	84.3	Confident	88.5	Confident	67 Å²	67	41 Å²	41	36%	0.358	26%	0.256	S	S	.	.			trans	-97.8	99.8	179.7	-173.6	-10.7	0	0	0	110.8	P124 H147 S151 V152	P124-D149 HydrophobicContact CG-CB 3.91Å; H147-D149 PolarHBondContact O-N 3.39Å; D149-S151 VanDerWaalsContact CG-OG 3.31Å; D149-S151 PolarHBondContact O-N 3.4Å; D149-S151 VanDerWaalsContact O-N 3.15Å; D149-S151 VanDerWaalsContact OD1-CB 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.01Å; D149-S151 PolarHBondContact OD1-N 3.14Å; D149-S151 PolarHBondContact OD1-OG 3.15Å; D149-S151 PolarHBondContact OD2-OG 3.43Å; D149-V152 PolarHBondContact O-N 3.42Å; D149-V152 VanDerWaalsContact O-N 3.12Å
150	A	76.2	Confident	88.5	Confident	104 Å²	104	41.7 Å²	41.7	86%	0.86	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	-179.8	0	0	0	0	0	113.8	V152	A150-V152 VanDerWaalsContact C-N 3.26Å
151	S	78.9	Confident	88.6	Confident	94 Å²	94	41.5 Å²	41.5	66%	0.657	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.3	176.7	75.7	0	0	0	0	113.2	D149 P153	D149-S151 VanDerWaalsContact CG-OG 3.31Å; D149-S151 PolarHBondContact O-N 3.4Å; D149-S151 VanDerWaalsContact O-N 3.15Å; D149-S151 VanDerWaalsContact OD1-CB 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.01Å; D149-S151 PolarHBondContact OD1-N 3.14Å; D149-S151 PolarHBondContact OD1-OG 3.15Å; D149-S151 PolarHBondContact OD2-OG 3.43Å; S151-P153 WeakPolarHBondContact O-CD 3.29Å
152	V	77.2	Confident	88.7	Confident	51 Å²	51	41.5 Å²	41.5	31%	0.309	26%	0.259	S	S	.	.			trans	-113.4	100.3	-178.9	-178.2	0	0	0	0	109.2	D149 A150 I154	D149-V152 PolarHBondContact O-N 3.42Å; D149-V152 VanDerWaalsContact O-N 3.12Å; A150-V152 VanDerWaalsContact C-N 3.26Å; V152-I154 VanDerWaalsContact C-N 3.27Å; V152-I154 VanDerWaalsContact CG1-O 3.26Å; V152-I154 WeakPolarHBondContact CG1-O 3.19Å; V152-I154 PolarHBondContact O-N 2.74Å
153	P	73.2	Confident	88.7	Confident	111 Å²	111	41.6 Å²	41.6	72%	0.721	26%	0.26	S	S	*	.	S	Bend	trans	-61.2	-32.7	-176.3	-25.3	33.9	0	0	0	114.2	S151	S151-P153 WeakPolarHBondContact O-CD 3.29Å
154	I	82.2	Confident	88.8	Confident	64 Å²	64	45.5 Å²	45.5	33%	0.328	29%	0.287	S	S	.	.	S	Bend	trans	-129.1	111.6	173.2	-61.3	178.3	0	0	0	108.9	V152 P183 F466	V152-I154 VanDerWaalsContact C-N 3.27Å; V152-I154 VanDerWaalsContact CG1-O 3.26Å; V152-I154 WeakPolarHBondContact CG1-O 3.19Å; V152-I154 PolarHBondContact O-N 2.74Å; I154-P183 HydrophobicContact CD1-CG 4.28Å; I154-P183 HydrophobicContact CG1-CG 4.32Å; I154-P183 HydrophobicContact CG2-CG 4.23Å; I154-F466 HydrophobicContact CD1-CD2 3.81Å; I154-F466 HydrophobicContact CD1-CE1 4.17Å; I154-F466 HydrophobicContact CD1-CE2 3.02Å; I154-F466 HydrophobicContact CD1-CZ 3.22Å; I154-F466 HydrophobicContact CG1-CD2 4.28Å; I154-F466 HydrophobicContact CG1-CE2 3.78Å; I154-F466 HydrophobicContact CG1-CZ 4.41Å
155	P	89.1	Confident	88.8	Confident	6 Å²	6	47.2 Å²	47.2	4%	0.039	30%	0.297	C	S	.	.			trans	-57.8	143.8	170.5	-23.7	33.4	0	0	0	111.9	P124 L146 H147 G157 C184	P124-P155 HydrophobicContact CB-CB 4.09Å; P124-P155 VanDerWaalsContact O-CB 3.28Å; P124-P155 WeakPolarHBondContact O-CB 3.37Å; L146-P155 HydrophobicContact CD2-CB 4.2Å; L146-P155 HydrophobicContact CG-CB 3.89Å; L146-P155 HydrophobicContact CG-CG 4.31Å; L146-P155 WeakPolarHBondContact O-CG 3.33Å; H147-P155 WeakPolarHBondContact CE1-CD 3.44Å; H147-P155 WeakPolarHBondContact ND1-CD 3.21Å; P155-G157 VanDerWaalsContact C-N 3.3Å; P155-C184 PolarHBondContact O-SG 3.07Å; P155-C184 VanDerWaalsContact O-SG 3.39Å
156	T	90.5	Very high	88.7	Confident	103 Å²	103	48.6 Å²	48.6	63%	0.632	31%	0.305	S	S	*	.	S	Bend	trans	-79.6	-14	176.5	54.2	0	0	0	0	113.4	P124	P124-T156 PolarHBondContact O-N 3.49Å
157	G	93.8	Very high	88.5	Confident	4 Å²	4	56 Å²	56	4%	0.041	34%	0.339	C	S	.	.			trans	-74.7	173.3	173.7	0	0	0	0	0	113.1	P124 H126 P155	P124-G157 WeakPolarHBondContact O-CA 3Å; P124-G157 PolarHBondContact O-N 2.79Å; H126-G157 CarbonylContact O-C 3.53Å; H126-G157 WeakPolarHBondContact O-CA 3.38Å; P155-G157 VanDerWaalsContact C-N 3.3Å
158	L	93.4	Very high	88.6	Confident	42 Å²	42	57.6 Å²	57.6	22%	0.22	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	136.9	-173.2	179.2	68.7	0	0	0	110.4	H126 Y127 V128 V160 V186	H126-L158 PolarHBondContact O-N 3.25Å; H126-L158 VanDerWaalsContact O-N 3.09Å; Y127-L158 CarbonylContact C-O 3.54Å; Y127-L158 WeakPolarHBondContact CA-O 3.5Å; Y127-L158 HydrophobicContact CD1-CB 4.12Å; Y127-L158 HydrophobicContact CE1-CB 4.35Å; V128-L158 PolarHBondContact N-O 3.04Å; L158-V160 HydrophobicContact CD2-CG2 4.08Å; L158-V160 HydrophobicContact CG-CG2 4.37Å; L158-V186 HydrophobicContact CD1-CG2 4.1Å
159	V	95.2	Very high	88.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.7	168.1	-173.9	0	0	0	0	109.9	V128 T139 I142 L143 L146 C184 C185 V186	V128-V159 HydrophobicContact CB-CG2 4.4Å; V128-V159 CarbonylContact O-C 3.58Å; V128-V159 WeakPolarHBondContact O-CA 3.46Å; T139-V159 HydrophobicContact CG2-CG1 3.92Å; I142-V159 HydrophobicContact CG2-CG1 4.23Å; I142-V159 HydrophobicContact CG2-CG2 3.73Å; L143-V159 HydrophobicContact CD2-CB 3.78Å; L143-V159 HydrophobicContact CD2-CG2 3.46Å; L143-V159 VanDerWaalsContact CD2-CG2 3.46Å; L143-V159 HydrophobicContact CG-CB 4.18Å; L143-V159 HydrophobicContact CG-CG2 3.86Å; L146-V159 HydrophobicContact CD2-CG2 4.21Å; V159-C184 PolarHBondContact N-O 2.79Å; V159-C185 WeakPolarHBondContact O-CA 3.4Å; V159-V186 PolarHBondContact O-N 3Å
160	V	94.3	Very high	89	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.085	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.9	167.1	-179.8	0	0	0	0	107.8	V128 L129 D130 L158 V186 T188 M195 F209	V128-V160 PolarHBondContact O-N 3.04Å; L129-V160 WeakPolarHBondContact CA-O 3.45Å; L129-V160 HydrophobicContact CD1-CB 3.94Å; L129-V160 HydrophobicContact CD1-CG1 3.79Å; L129-V160 WeakPolarHBondContact CD1-O 3.4Å; D130-V160 PolarHBondContact N-O 3.22Å; L158-V160 HydrophobicContact CD2-CG2 4.08Å; L158-V160 HydrophobicContact CG-CG2 4.37Å; V160-V186 WeakPolarHBondContact CA-O 3.32Å; V160-T188 HydrophobicContact CG1-CG2 4.02Å; V160-M195 HydrophobicContact CG1-CE 3.94Å; V160-F209 HydrophobicContact CB-CE1 4.01Å; V160-F209 HydrophobicContact CB-CZ 4.28Å; V160-F209 HydrophobicContact CG2-CE1 3.78Å; V160-F209 HydrophobicContact CG2-CZ 4.15Å
161	A	95.7	Very high	89.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	107.8	-178	0	0	0	0	0	109.4	A133 T139 L172 V186 V187 T188	A133-A161 HydrophobicContact CB-CB 3.86Å; T139-A161 HydrophobicContact CG2-CB 3.46Å; T139-A161 VanDerWaalsContact CG2-CB 3.46Å; A161-L172 HydrophobicContact CB-CD1 4.31Å; A161-L172 HydrophobicContact CB-CD2 3.85Å; A161-L172 HydrophobicContact CB-CG 4.44Å; A161-V186 PolarHBondContact N-O 2.99Å; A161-V187 HydrophobicContact CB-CG2 4.48Å; A161-V187 CarbonylContact O-C 3.59Å; A161-V187 WeakPolarHBondContact O-CA 3.39Å; A161-T188 PolarHBondContact O-N 3.06Å
162	N	95.8	Very high	90.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138	-174.3	-177.3	66.7	0	0	0	111.9	L129 D130 M131 C132 A133 T188 M190 M195	L129-N162 HydrophobicContact CD1-CB 4.43Å; D130-N162 PolarHBondContact O-N 3.2Å; M131-N162 CarbonylContact C-O 3.58Å; M131-N162 PolarHBondContact O-ND2 3.02Å; M131-N162 VanDerWaalsContact O-O 3.1Å; C132-N162 CarbonylContact C-O 3.51Å; C132-N162 WeakPolarHBondContact CA-O 3.27Å; C132-N162 PolarHBondContact N-O 3.01Å; A133-N162 WeakPolarHBondContact CB-O 3.45Å; A133-N162 PolarHBondContact N-O 3.4Å; N162-T188 WeakPolarHBondContact CA-O 3.22Å; N162-T188 WeakPolarHBondContact CA-OG1 2.96Å; N162-T188 WeakPolarHBondContact CB-OG1 3.29Å; N162-T188 PolarHBondContact OD1-O 3.46Å; N162-T188 PolarHBondContact OD1-OG1 3.44Å; N162-M190 PolarHBondContact ND2-O 3.28Å; N162-M190 VanDerWaalsContact OD1-CB 3.29Å; N162-M190 WeakPolarHBondContact OD1-CB 3.33Å; N162-M190 PolarHBondContact OD1-N 2.9Å; N162-M190 PolarHBondContact OD1-O 3.44Å; N162-M195 HydrophobicContact CB-CE 4.29Å
163	D	95.8	Very high	90.5	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.269	C	S	.	.			trans	-141.4	143.7	164.1	-159.5	-87.8	0	0	0	110.2	A134 N165 R168 T188 N189 M190	A134-D163 HydrophobicContact CB-CB 3.95Å; A134-D163 WeakPolarHBondContact CB-OD2 3.22Å; A134-D163 PolarHBondContact N-OD2 3.46Å; D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact O-N 2.91Å; D163-N165 WeakPolarHBondContact OD1-CB 3.31Å; D163-N165 PolarHBondContact OD1-N 3.24Å; D163-R168 IonicContact OD1-CZ 2.79Å; D163-R168 IonicContact OD1-NH1 2.74Å; D163-R168 PolarHBondContact OD1-NH1 2.83Å; D163-R168 IonicContact OD2-CZ 2.79Å; D163-R168 IonicContact OD2-NH1 3.59Å; D163-R168 PolarHBondContact OD2-NH1 3.09Å; D163-R168 IonicContact OD2-NH2 2.66Å; D163-T188 PolarHBondContact N-O 3.2Å; D163-T188 VanDerWaalsContact N-O 3.12Å; D163-N189 VanDerWaalsContact O-CA 3.24Å; D163-N189 WeakPolarHBondContact O-CA 3.32Å; D163-N189 PolarHBondContact O-ND2 3.24Å; D163-M190 PolarHBondContact O-N 3.15Å
164	S	94	Very high	91	Very high	83 Å²	83	50.8 Å²	50.8	58%	0.58	26%	0.259	S	S	*	.	S	Bend	trans	-74.5	-21.7	180	60.1	0	0	0	0	112.8	N189 M190	S164-N189 PolarHBondContact O-ND2 3.37Å; S164-M190 WeakPolarHBondContact CA-O 3.49Å
165	N	92.4	Very high	90.9	Very high	65 Å²	65	49.7 Å²	49.7	35%	0.348	25%	0.252	S	S	.	.			trans	-95.8	117.9	-179.6	-178.1	-56	0	0	0	111.4	D163 E167 R168 C169	D163-N165 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact O-N 2.91Å; D163-N165 WeakPolarHBondContact OD1-CB 3.31Å; D163-N165 PolarHBondContact OD1-N 3.24Å; N165-E167 PolarHBondContact O-N 3.41Å; N165-E167 WeakPolarHBondContact OD1-CB 3.47Å; N165-E167 PolarHBondContact OD1-N 3.03Å; N165-R168 HydrophobicContact CB-CB 4Å; N165-R168 HydrophobicContact CB-CG 3.94Å; N165-R168 PolarHBondContact O-N 3.5Å; N165-R168 PolarHBondContact OD1-N 3.23Å; N165-C169 PolarHBondContact O-N 3.43Å; N165-C169 PolarHBondContact O-SG 3.45Å
166	N	89	Confident	90.1	Very high	63 Å²	63	49.4 Å²	49.4	34%	0.337	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-42	-176	-168.5	-96.6	0	0	0	113.7	R168 C169 Y170 N189 I438	N166-R168 VanDerWaalsContact C-N 3.32Å; N166-R168 PolarHBondContact O-N 2.98Å; N166-C169 VanDerWaalsContact O-CB 3.31Å; N166-C169 WeakPolarHBondContact O-CB 3.37Å; N166-C169 PolarHBondContact O-N 2.83Å; N166-Y170 VanDerWaalsContact O-CD2 3.25Å; N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 WeakPolarHBondContact OD1-CE2 3.25Å; N166-N189 WeakPolarHBondContact CB-OD1 3.41Å; N166-N189 PolarHBondContact N-ND2 2.82Å; N166-N189 PolarHBondContact ND2-OD1 3.36Å; N166-I438 WeakPolarHBondContact ND2-CD1 3.37Å
167	E	90	Very high	89.3	Confident	155 Å²	155	44.9 Å²	44.9	72%	0.724	22%	0.222	S	C	*	.	H	α-helix	trans	-64.9	-39.3	178.1	-62.1	178.8	172.5	0	0	111.1	N165 C169 Y170	N165-E167 PolarHBondContact O-N 3.41Å; N165-E167 WeakPolarHBondContact OD1-CB 3.47Å; N165-E167 PolarHBondContact OD1-N 3.03Å; E167-C169 VanDerWaalsContact C-N 3.29Å; E167-C169 PolarHBondContact O-N 3.16Å; E167-Y170 PolarHBondContact O-N 3.04Å
168	R	92.7	Very high	88.2	Confident	97 Å²	97	48.2 Å²	48.2	37%	0.366	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-29.5	176	-65.7	-179.9	70.5	-127.1	4.2	112.1	A134 D163 N165 N166 Y170 L171 L172	A134-R168 HydrophobicContact CB-CB 3.63Å; A134-R168 PolarHBondContact O-NH2 3.14Å; D163-R168 IonicContact OD1-CZ 2.79Å; D163-R168 IonicContact OD1-NH1 2.74Å; D163-R168 PolarHBondContact OD1-NH1 2.83Å; D163-R168 IonicContact OD2-CZ 2.79Å; D163-R168 IonicContact OD2-NH1 3.59Å; D163-R168 PolarHBondContact OD2-NH1 3.09Å; D163-R168 IonicContact OD2-NH2 2.66Å; N165-R168 HydrophobicContact CB-CB 4Å; N165-R168 HydrophobicContact CB-CG 3.94Å; N165-R168 PolarHBondContact O-N 3.5Å; N165-R168 PolarHBondContact OD1-N 3.23Å; N166-R168 VanDerWaalsContact C-N 3.32Å; N166-R168 PolarHBondContact O-N 2.98Å; R168-Y170 VanDerWaalsContact C-N 3.29Å; R168-Y170 PolarHBondContact O-N 3.13Å; R168-L171 WeakPolarHBondContact O-CB 3.45Å; R168-L171 PolarHBondContact O-N 3.02Å; R168-L172 PolarHBondContact O-N 3.11Å
169	C	91	Very high	87.3	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-35.6	171.8	-64.4	0	0	0	0	112.3	N165 N166 E167 L172 V173 V187 I438	N165-C169 PolarHBondContact O-N 3.43Å; N165-C169 PolarHBondContact O-SG 3.45Å; N166-C169 VanDerWaalsContact O-CB 3.31Å; N166-C169 WeakPolarHBondContact O-CB 3.37Å; N166-C169 PolarHBondContact O-N 2.83Å; E167-C169 VanDerWaalsContact C-N 3.29Å; E167-C169 PolarHBondContact O-N 3.16Å; C169-L172 WeakPolarHBondContact O-CB 3.43Å; C169-L172 PolarHBondContact O-N 3.31Å; C169-V173 VanDerWaalsContact O-CG2 3.3Å; C169-V173 WeakPolarHBondContact O-CG2 3.42Å; C169-V173 PolarHBondContact O-N 3.25Å; C169-V187 HydrophobicContact CB-CG1 4.08Å; C169-I438 HydrophobicContact CB-CB 4.33Å; C169-I438 HydrophobicContact CB-CG1 3.89Å; C169-I438 HydrophobicContact CB-CG2 4.13Å
170	Y	88.3	Confident	86.3	Confident	125 Å²	125	48.9 Å²	48.9	49%	0.49	24%	0.242	S	C	.	.	H	α-helix	trans	-69.1	-34.9	176.8	-70.9	-78.2	0	0	0	112.6	N166 E167 R168 L172 V173 H174 I438	N166-Y170 VanDerWaalsContact O-CD2 3.25Å; N166-Y170 WeakPolarHBondContact O-CD2 3.46Å; N166-Y170 WeakPolarHBondContact OD1-CE2 3.25Å; E167-Y170 PolarHBondContact O-N 3.04Å; R168-Y170 VanDerWaalsContact C-N 3.29Å; R168-Y170 PolarHBondContact O-N 3.13Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-V173 PolarHBondContact O-N 3.3Å; Y170-H174 PolarHBondContact O-N 3.24Å; Y170-I438 HydrophobicContact CD1-CG2 4.42Å; Y170-I438 HydrophobicContact CE1-CG2 4.16Å
171	L	88	Confident	85.4	Confident	109 Å²	109	49.5 Å²	49.5	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-62.7	-43	170.7	-64.3	174.9	0	0	0	111	R168 H174 Q175	R168-L171 WeakPolarHBondContact O-CB 3.45Å; R168-L171 PolarHBondContact O-N 3.02Å; L171-H174 PolarHBondContact O-N 2.95Å; L171-Q175 VanDerWaalsContact O-CB 3.26Å; L171-Q175 WeakPolarHBondContact O-CB 3.37Å; L171-Q175 PolarHBondContact O-N 3.2Å
172	L	89.7	Confident	84.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.8	170.2	64.2	0	0	0	112	A133 A134 P135 T139 A161 R168 C169 Y170 H174 Q175 A176 V187	A133-L172 HydrophobicContact CB-CD1 4.19Å; A133-L172 HydrophobicContact CB-CD2 3.67Å; A134-L172 HydrophobicContact CB-CB 4.28Å; P135-L172 WeakPolarHBondContact O-CA 3.22Å; T139-L172 HydrophobicContact CG2-CD1 4.23Å; A161-L172 HydrophobicContact CB-CD1 4.31Å; A161-L172 HydrophobicContact CB-CD2 3.85Å; A161-L172 HydrophobicContact CB-CG 4.44Å; R168-L172 PolarHBondContact O-N 3.11Å; C169-L172 WeakPolarHBondContact O-CB 3.43Å; C169-L172 PolarHBondContact O-N 3.31Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; L172-H174 PolarHBondContact O-N 3Å; L172-Q175 PolarHBondContact O-N 3.44Å; L172-A176 HydrophobicContact CD1-CB 4.34Å; L172-A176 WeakPolarHBondContact O-CB 3.44Å; L172-A176 PolarHBondContact O-N 3.04Å; L172-V187 HydrophobicContact CD2-CG1 3.7Å; L172-V187 HydrophobicContact CD2-CG2 4.34Å; L172-V187 HydrophobicContact CG-CG1 4.2Å; L172-V187 HydrophobicContact CG-CG2 4.21Å
173	V	87.2	Confident	84.3	Confident	25 Å²	25	51.9 Å²	51.9	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-48.5	174.8	165.6	0	0	0	0	110.8	C169 Y170 L177 V187 I438 N439	C169-V173 VanDerWaalsContact O-CG2 3.3Å; C169-V173 WeakPolarHBondContact O-CG2 3.42Å; C169-V173 PolarHBondContact O-N 3.25Å; Y170-V173 PolarHBondContact O-N 3.3Å; V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 VanDerWaalsContact O-CB 3.31Å; V173-L177 WeakPolarHBondContact O-CB 3.36Å; V173-L177 PolarHBondContact O-N 3.32Å; V173-V187 HydrophobicContact CG2-CB 3.97Å; V173-V187 HydrophobicContact CG2-CG1 4.04Å; V173-V187 HydrophobicContact CG2-CG2 3.81Å; V173-I438 HydrophobicContact CG2-CG2 4.1Å; V173-N439 HydrophobicContact CG1-CB 4.29Å; V173-N439 HydrophobicContact CG2-CB 3.62Å
174	H	82.8	Confident	84	Confident	108 Å²	108	52.1 Å²	52.1	50%	0.5	27%	0.268	S	S	.	.	I	π-helix	trans	-62.3	-44.4	176.8	-179.5	-82.3	0	0	0	111.6	Y170 L171 L172 K178	Y170-H174 PolarHBondContact O-N 3.24Å; L171-H174 PolarHBondContact O-N 2.95Å; L172-H174 PolarHBondContact O-N 3Å; H174-K178 WeakPolarHBondContact O-CB 3.25Å; H174-K178 PolarHBondContact O-N 3.15Å
175	Q	79.2	Confident	83.9	Confident	41 Å²	41	48.1 Å²	48.1	19%	0.192	24%	0.24	C	C	.	.	I	π-helix	trans	-69.5	-40.4	-177.6	-172.2	72.5	-9.8	0	0	112.9	P135 V140 L171 L172 R179	P135-Q175 VanDerWaalsContact O-CB 3.25Å; P135-Q175 WeakPolarHBondContact O-CB 3.31Å; P135-Q175 WeakPolarHBondContact O-CG 3.26Å; V140-Q175 HydrophobicContact CG2-CG 4.24Å; V140-Q175 WeakPolarHBondContact CG2-O 3.49Å; L171-Q175 VanDerWaalsContact O-CB 3.26Å; L171-Q175 WeakPolarHBondContact O-CB 3.37Å; L171-Q175 PolarHBondContact O-N 3.2Å; L172-Q175 PolarHBondContact O-N 3.44Å; Q175-R179 VanDerWaalsContact CD-NE 3.33Å; Q175-R179 WeakPolarHBondContact O-CB 3.16Å; Q175-R179 PolarHBondContact O-NE 3.33Å; Q175-R179 PolarHBondContact O-NH2 3.18Å
176	A	73.9	Confident	83.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-82	-54.3	-176.3	0	0	0	0	0	112.2	V140 L143 L172 S180	V140-A176 HydrophobicContact CG2-CB 4.18Å; L143-A176 HydrophobicContact CD1-CB 4.28Å; L172-A176 HydrophobicContact CD1-CB 4.34Å; L172-A176 WeakPolarHBondContact O-CB 3.44Å; L172-A176 PolarHBondContact O-N 3.04Å; A176-S180 WeakPolarHBondContact O-CB 3.36Å; A176-S180 PolarHBondContact O-N 3.21Å; A176-S180 VanDerWaalsContact O-N 3.08Å; A176-S180 PolarHBondContact O-OG 3.09Å
177	L	72.9	Confident	84	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.047	22%	0.216	C	C	.	.	I	π-helix	trans	-82.9	-47.5	-169.2	-55.5	-179.2	0	0	0	112.3	V173 R179 G181 C185 N439	V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 VanDerWaalsContact O-CB 3.31Å; V173-L177 WeakPolarHBondContact O-CB 3.36Å; V173-L177 PolarHBondContact O-N 3.32Å; L177-R179 PolarHBondContact O-N 3.39Å; L177-G181 PolarHBondContact O-N 3.28Å; L177-C185 HydrophobicContact CD2-CB 3.93Å; L177-N439 HydrophobicContact CD1-CB 3.89Å; L177-N439 VanDerWaalsContact CD1-ND2 3.29Å; L177-N439 WeakPolarHBondContact CD1-ND2 3.27Å; L177-N439 WeakPolarHBondContact CD1-OD1 3.32Å
178	K	71.8	Confident	84	Confident	73 Å²	73	36.1 Å²	36.1	32%	0.317	18%	0.182	S	C	.	.	I	π-helix	trans	-62.8	-32.9	-177.3	-165.6	179.8	177.6	-173.8	0	111.9	H174 D530	H174-K178 WeakPolarHBondContact O-CB 3.25Å; H174-K178 PolarHBondContact O-N 3.15Å; K178-D530 WeakPolarHBondContact CE-OD2 3.18Å; K178-D530 IonicContact NZ-OD2 2.79Å; K178-D530 PolarHBondContact NZ-OD2 3.13Å
179	R	73.2	Confident	84	Confident	16 Å²	16	32.5 Å²	32.5	6%	0.06	17%	0.17	C	C	.	.	H	α-helix	trans	-91.1	-43	-177.6	-58.9	-166.1	-56.7	141.8	9	113.7	T101 G104 V140 Q175 L177	T101-R179 WeakPolarHBondContact O-CD 3.21Å; G104-R179 WeakPolarHBondContact CA-O 3.45Å; V140-R179 VanDerWaalsContact CG2-NH2 3.35Å; Q175-R179 VanDerWaalsContact CD-NE 3.33Å; Q175-R179 WeakPolarHBondContact O-CB 3.16Å; Q175-R179 PolarHBondContact O-NE 3.33Å; Q175-R179 PolarHBondContact O-NH2 3.18Å; L177-R179 PolarHBondContact O-N 3.39Å
180	S	73.6	Confident	83.9	Confident	41 Å²	41	33.2 Å²	33.2	29%	0.287	17%	0.173	S	C	.	.	H	α-helix	trans	-80.6	-26.1	-177.4	71.2	0	0	0	0	113	A176 S182	A176-S180 WeakPolarHBondContact O-CB 3.36Å; A176-S180 PolarHBondContact O-N 3.21Å; A176-S180 VanDerWaalsContact O-N 3.08Å; A176-S180 PolarHBondContact O-OG 3.09Å; S180-S182 PolarHBondContact O-N 3.35Å; S180-S182 WeakPolarHBondContact OG-CB 3.18Å; S180-S182 PolarHBondContact OG-N 3.21Å; S180-S182 VanDerWaalsContact OG-N 3.16Å
181	G	75.3	Confident	84.1	Confident	27 Å²	27	30.5 Å²	30.5	28%	0.278	17%	0.167	S	C	.	.			trans	58.5	15	-170.2	0	0	0	0	0	113.4	L177 L442	L177-G181 PolarHBondContact O-N 3.28Å; G181-L442 WeakPolarHBondContact O-CD2 3.49Å
182	S	84.5	Confident	84.4	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.014	14%	0.141	C	C	.	.			trans	-83.2	128.7	-173.4	178.7	0	0	0	0	111.1	H147 S180 C184	H147-S182 PolarHBondContact NE2-OG 2.93Å; S180-S182 PolarHBondContact O-N 3.35Å; S180-S182 WeakPolarHBondContact OG-CB 3.18Å; S180-S182 PolarHBondContact OG-N 3.21Å; S180-S182 VanDerWaalsContact OG-N 3.16Å; S182-C184 PolarHBondContact O-N 2.74Å; S182-C184 PolarHBondContact OG-N 3.22Å
183	P	84.6	Confident	84.5	Confident	47 Å²	47	28.2 Å²	28.2	31%	0.305	16%	0.155	S	C	.	.	S	Bend	trans	-75.2	-11	171	32.2	-34.8	0	0	0	112.7	I154 C185 L442	I154-P183 HydrophobicContact CD1-CG 4.28Å; I154-P183 HydrophobicContact CG1-CG 4.32Å; I154-P183 HydrophobicContact CG2-CG 4.23Å; P183-C185 PolarHBondContact O-N 3.49Å; P183-C185 VanDerWaalsContact O-N 3.14Å; P183-L442 HydrophobicContact CB-CB 4Å
184	C	90	Very high	84.5	Confident	8 Å²	8	30.8 Å²	30.8	5%	0.054	17%	0.171	C	C	.	.	S	Bend	trans	-87.3	33.7	-173.4	-51.4	0	0	0	0	112.9	L143 L146 P155 V159 S182	L143-C184 WeakPolarHBondContact CD2-O 3.24Å; L146-C184 HydrophobicContact CD2-CB 3.68Å; P155-C184 PolarHBondContact O-SG 3.07Å; P155-C184 VanDerWaalsContact O-SG 3.39Å; V159-C184 PolarHBondContact N-O 2.79Å; S182-C184 PolarHBondContact O-N 2.74Å; S182-C184 PolarHBondContact OG-N 3.22Å
185	C	91.8	Very high	84.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136	178.5	-167.6	0	0	0	0	112.2	L143 V159 L177 P183 G441	L143-C185 HydrophobicContact CD1-CB 3.89Å; L143-C185 HydrophobicContact CD2-CB 3.8Å; L143-C185 HydrophobicContact CG-CB 4.44Å; V159-C185 WeakPolarHBondContact O-CA 3.4Å; L177-C185 HydrophobicContact CD2-CB 3.93Å; P183-C185 PolarHBondContact O-N 3.49Å; P183-C185 VanDerWaalsContact O-N 3.14Å; C185-G441 PolarHBondContact O-N 2.8Å; C185-G441 VanDerWaalsContact O-N 3.09Å
186	V	90.9	Very high	84.8	Confident	28 Å²	28	24.1 Å²	24.1	17%	0.17	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	169.3	175.1	0	0	0	0	108.4	L158 V159 V160 A161 T188 I437 N439 A440	L158-V186 HydrophobicContact CD1-CG2 4.1Å; V159-V186 PolarHBondContact O-N 3Å; V160-V186 WeakPolarHBondContact CA-O 3.32Å; A161-V186 PolarHBondContact N-O 2.99Å; V186-T188 HydrophobicContact CG1-CG2 4.13Å; V186-I437 HydrophobicContact CG1-CG1 4.38Å; V186-I437 HydrophobicContact CG1-CG2 4.02Å; V186-N439 WeakPolarHBondContact CA-O 3.36Å; V186-A440 HydrophobicContact CG2-CB 4.13Å
187	V	91.9	Very high	84.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.4	176.1	-179	0	0	0	0	109.6	A161 C169 L172 V173 I438 N439	A161-V187 HydrophobicContact CB-CG2 4.48Å; A161-V187 CarbonylContact O-C 3.59Å; A161-V187 WeakPolarHBondContact O-CA 3.39Å; C169-V187 HydrophobicContact CB-CG1 4.08Å; L172-V187 HydrophobicContact CD2-CG1 3.7Å; L172-V187 HydrophobicContact CD2-CG2 4.34Å; L172-V187 HydrophobicContact CG-CG1 4.2Å; L172-V187 HydrophobicContact CG-CG2 4.21Å; V173-V187 HydrophobicContact CG2-CB 3.97Å; V173-V187 HydrophobicContact CG2-CG1 4.04Å; V173-V187 HydrophobicContact CG2-CG2 3.81Å; V187-I438 HydrophobicContact CB-CB 4.47Å; V187-I438 HydrophobicContact CG1-CB 4.14Å; V187-I438 PolarHBondContact O-N 2.63Å; V187-N439 HydrophobicContact CB-CB 4.32Å; V187-N439 PolarHBondContact N-O 3.36Å; V187-N439 PolarHBondContact O-N 2.84Å
188	T	91.6	Very high	84.3	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.4	178.1	61.7	0	0	0	0	111.6	V160 A161 N162 D163 V186 Y435 L436	V160-T188 HydrophobicContact CG1-CG2 4.02Å; A161-T188 PolarHBondContact O-N 3.06Å; N162-T188 WeakPolarHBondContact CA-O 3.22Å; N162-T188 WeakPolarHBondContact CA-OG1 2.96Å; N162-T188 WeakPolarHBondContact CB-OG1 3.29Å; N162-T188 PolarHBondContact OD1-O 3.46Å; N162-T188 PolarHBondContact OD1-OG1 3.44Å; D163-T188 PolarHBondContact N-O 3.2Å; D163-T188 VanDerWaalsContact N-O 3.12Å; V186-T188 HydrophobicContact CG1-CG2 4.13Å; T188-Y435 HydrophobicContact CG2-CD1 4.29Å; T188-Y435 HydrophobicContact CG2-CG 4.2Å; T188-L436 CarbonylContact C-O 3.52Å; T188-L436 WeakPolarHBondContact CA-O 3.39Å
189	N	90.8	Very high	83.5	Confident	21 Å²	21	24.1 Å²	24.1	11%	0.112	15%	0.146	C	C	.	.			trans	-117.2	91	174.5	177.3	-137.3	0	0	0	111	D163 S164 N166 L436 I438	D163-N189 VanDerWaalsContact O-CA 3.24Å; D163-N189 WeakPolarHBondContact O-CA 3.32Å; D163-N189 PolarHBondContact O-ND2 3.24Å; S164-N189 PolarHBondContact O-ND2 3.37Å; N166-N189 WeakPolarHBondContact CB-OD1 3.41Å; N166-N189 PolarHBondContact N-ND2 2.82Å; N166-N189 PolarHBondContact ND2-OD1 3.36Å; N189-L436 HydrophobicContact CB-CD2 3.95Å; N189-L436 HydrophobicContact CB-CG 4.17Å; N189-L436 PolarHBondContact N-O 3.19Å; N189-L436 WeakPolarHBondContact O-CB 3.45Å; N189-L436 WeakPolarHBondContact OD1-CD2 3.27Å; N189-I438 HydrophobicContact CB-CD1 3.7Å; N189-I438 HydrophobicContact CB-CG1 3.61Å
190	M	90.3	Very high	82.4	Confident	16 Å²	16	28.9 Å²	28.9	8%	0.079	17%	0.169	C	C	.	.			trans	-140.2	152.1	-175.1	-56.3	-70	-67	0	0	111.2	N162 D163 S164 A192 M195 P196 I386 Y435 L436	N162-M190 PolarHBondContact ND2-O 3.28Å; N162-M190 VanDerWaalsContact OD1-CB 3.29Å; N162-M190 WeakPolarHBondContact OD1-CB 3.33Å; N162-M190 PolarHBondContact OD1-N 2.9Å; N162-M190 PolarHBondContact OD1-O 3.44Å; D163-M190 PolarHBondContact O-N 3.15Å; S164-M190 WeakPolarHBondContact CA-O 3.49Å; M190-A192 PolarHBondContact O-N 3.44Å; M190-M195 HydrophobicContact CB-SD 3.91Å; M190-M195 HydrophobicContact CG-SD 4.03Å; M190-P196 HydrophobicContact CE-CG 4.03Å; M190-I386 HydrophobicContact CE-CD1 3.16Å; M190-I386 HydrophobicContact SD-CD1 3.73Å; M190-Y435 HydrophobicContact CG-CD1 4.33Å; M190-L436 HydrophobicContact SD-CB 4.05Å; M190-L436 PolarHBondContact SD-N 3.25Å
191	D	91.8	Very high	81.3	Confident	67 Å²	67	32.7 Å²	32.7	36%	0.358	20%	0.196	S	C	.	.			trans	-65.7	121.9	165.3	-175.2	-19.4	0	0	0	109.6	M193 T194 M195	D191-M193 PolarHBondContact O-N 3.15Å; D191-M193 WeakPolarHBondContact OD1-CB 3.15Å; D191-M193 WeakPolarHBondContact OD1-CE 3.28Å; D191-M193 PolarHBondContact OD1-N 3.23Å; D191-M193 WeakPolarHBondContact OD2-CE 3.38Å; D191-T194 CarbonylContact O-C 3.42Å; D191-T194 PolarHBondContact O-N 3.24Å; D191-T194 PolarHBondContact O-OG1 3.36Å; D191-M195 PolarHBondContact O-N 2.95Å
192	A	94.1	Very high	80	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.033	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30	-179.6	0	0	0	0	0	113.4	M131 M190 T194 I249 R252	M131-A192 HydrophobicContact CG-CB 3.6Å; M131-A192 HydrophobicContact SD-CB 3.78Å; M190-A192 PolarHBondContact O-N 3.44Å; A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 3.4Å; A192-I249 HydrophobicContact CB-CB 4.49Å; A192-I249 HydrophobicContact CB-CD1 4.01Å; A192-I249 HydrophobicContact CB-CG1 3.84Å; A192-I249 HydrophobicContact CB-CG2 3.93Å; A192-R252 WeakPolarHBondContact O-CG 3.18Å
193	M	92	Very high	78.3	Confident	57 Å²	57	40.3 Å²	40.3	28%	0.281	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.7	177	-64.3	-178	-73	0	0	112.6	D191 L245 K248 I249	D191-M193 PolarHBondContact O-N 3.15Å; D191-M193 WeakPolarHBondContact OD1-CB 3.15Å; D191-M193 WeakPolarHBondContact OD1-CE 3.28Å; D191-M193 PolarHBondContact OD1-N 3.23Å; D191-M193 WeakPolarHBondContact OD2-CE 3.38Å; M193-L245 HydrophobicContact CE-CD1 3.8Å; M193-L245 HydrophobicContact CG-CD1 3.96Å; M193-L245 HydrophobicContact SD-CD1 3.49Å; M193-L245 WeakPolarHBondContact SD-CD1 3.18Å; M193-K248 HydrophobicContact CG-CB 3.89Å; M193-K248 HydrophobicContact SD-CB 3.95Å; M193-K248 HydrophobicContact SD-CD 3.66Å; M193-K248 HydrophobicContact SD-CG 4.49Å; M193-I249 HydrophobicContact CG-CG1 3.87Å
194	T	87.7	Confident	76.5	Confident	80 Å²	80	42.5 Å²	42.5	49%	0.491	26%	0.259	S	S	.	.	S	Bend	trans	-120	11.1	-173.8	66	0	0	0	0	113	D191 A192 P196	D191-T194 CarbonylContact O-C 3.42Å; D191-T194 PolarHBondContact O-N 3.24Å; D191-T194 PolarHBondContact O-OG1 3.36Å; A192-T194 VanDerWaalsContact C-N 3.26Å; A192-T194 PolarHBondContact O-N 3.4Å; T194-P196 WeakPolarHBondContact O-CD 3.26Å; T194-P196 VanDerWaalsContact O-N 3.09Å
195	M	87.4	Confident	74.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-47.7	116.4	178.4	-176.6	62.5	168.8	0	0	109.8	L129 M131 V160 N162 M190 D191 R252 L256 Y435	L129-M195 HydrophobicContact CD1-CE 3.9Å; M131-M195 HydrophobicContact CE-CB 4.01Å; M131-M195 HydrophobicContact CE-CG 4.15Å; M131-M195 HydrophobicContact SD-CB 3.98Å; M131-M195 HydrophobicContact SD-CG 4.11Å; V160-M195 HydrophobicContact CG1-CE 3.94Å; N162-M195 HydrophobicContact CB-CE 4.29Å; M190-M195 HydrophobicContact CB-SD 3.91Å; M190-M195 HydrophobicContact CG-SD 4.03Å; D191-M195 PolarHBondContact O-N 2.95Å; M195-R252 HydrophobicContact CB-CG 4.47Å; M195-R252 PolarHBondContact O-NE 3.19Å; M195-R252 PolarHBondContact O-NH2 3.01Å; M195-L256 HydrophobicContact CB-CD1 4.1Å; M195-L256 HydrophobicContact CG-CD1 3.91Å; M195-Y435 HydrophobicContact CE-CD1 3.68Å; M195-Y435 HydrophobicContact CE-CE1 3.39Å; M195-Y435 HydrophobicContact CG-CE1 4.47Å; M195-Y435 HydrophobicContact SD-CD1 3.91Å; M195-Y435 HydrophobicContact SD-CE1 3.69Å
196	P	80.8	Confident	72.8	Confident	8 Å²	8	48 Å²	48	5%	0.052	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.3	158.5	-164.3	26.4	-34.6	0	0	0	113	M190 T194 R252 T383 I434 Y435	M190-P196 HydrophobicContact CE-CG 4.03Å; T194-P196 WeakPolarHBondContact O-CD 3.26Å; T194-P196 VanDerWaalsContact O-N 3.09Å; P196-R252 VanDerWaalsContact C-NH2 3.27Å; P196-T383 HydrophobicContact CB-CG2 3.55Å; P196-I434 HydrophobicContact CB-CG2 3.96Å; P196-I434 HydrophobicContact CG-CG2 3.72Å; P196-Y435 HydrophobicContact CG-CD1 3.81Å; P196-Y435 HydrophobicContact CG-CE1 3.44Å; P196-Y435 VanDerWaalsContact CG-CE1 3.44Å; P196-Y435 PolarHBondContact O-OH 2.94Å
197	N	74.6	Confident	71.5	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.08	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70.1	141.8	163.5	-65.3	-7.5	0	0	0	107.4	N206 R252 L256	N197-N206 WeakPolarHBondContact CB-OD1 3.31Å; N197-N206 PolarHBondContact ND2-OD1 3.04Å; N197-R252 PolarHBondContact OD1-NH1 3.41Å; N197-R252 PolarHBondContact OD1-NH2 3.22Å; N197-L256 WeakPolarHBondContact OD1-CD2 3.15Å
198	T	62.2	Low	71.1	Confident	16 Å²	16	51.4 Å²	51.4	10%	0.098	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69.1	154.2	168	60.6	0	0	0	0	109.9	V205 M207 Y435	T198-V205 CarbonylContact C-O 3.53Å; T198-V205 CarbonylContact O-C 3.53Å; T198-V205 PolarHBondContact OG1-O 3.32Å; T198-M207 HydrophobicContact CG2-CB 3.63Å; T198-M207 HydrophobicContact CG2-CE 4.4Å; T198-M207 HydrophobicContact CG2-SD 4.31Å; T198-M207 WeakPolarHBondContact OG1-CA 3.38Å; T198-M207 WeakPolarHBondContact OG1-CB 3.3Å; T198-M207 PolarHBondContact OG1-N 2.83Å; T198-Y435 HydrophobicContact CG2-CE2 3.93Å; T198-Y435 WeakPolarHBondContact CG2-OH 3.12Å
199	V	54.5	Low	71.2	Confident	50 Å²	50	51.5 Å²	51.5	30%	0.303	31%	0.306	S	S	.	.			trans	-131.6	135.7	174.3	-177.3	0	0	0	0	105.7	D203 V204 I434	V199-D203 WeakPolarHBondContact CG1-O 3.31Å; V199-V204 HydrophobicContact CG1-CG2 4.35Å; V199-V204 HydrophobicContact CG2-CG1 4.43Å; V199-V204 HydrophobicContact CG2-CG2 4.21Å; V199-I434 HydrophobicContact CB-CD1 4.11Å
200	E	50.3	Low	71.6	Confident	117 Å²	117	51.9 Å²	51.9	55%	0.547	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-121.7	125.8	-179.7	-165.7	177.3	-158.7	0	0	108.8	G202 D203 V205	E200-G202 VanDerWaalsContact C-N 3.26Å; E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.11Å; E200-D203 CarbonylContact C-O 3.6Å; E200-D203 PolarHBondContact N-O 2.76Å; E200-D203 CarbonylContact O-C 3.59Å; E200-D203 PolarHBondContact O-N 3.4Å; E200-V205 HydrophobicContact CB-CB 3.55Å; E200-V205 HydrophobicContact CB-CG1 4.47Å; E200-V205 HydrophobicContact CB-CG2 3.59Å; E200-V205 HydrophobicContact CG-CG2 4.5Å
201	S	49.7	Very low	71.9	Confident	120 Å²	120	52.2 Å²	52.2	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	29.6	172.7	-55.8	0	0	0	0	116.2	D203	S201-D203 PolarHBondContact O-N 3.27Å
202	G	48.4	Very low	72.3	Confident	71 Å²	71	49 Å²	49	73%	0.732	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-17	-177.7	0	0	0	0	0	113.8	E200	E200-G202 VanDerWaalsContact C-N 3.26Å; E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.11Å
203	D	49.3	Very low	72.5	Confident	119 Å²	119	48.9 Å²	48.9	64%	0.636	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-88.5	138.8	168.2	-69.7	-40.8	0	0	0	109.7	V199 E200 S201 V205	V199-D203 WeakPolarHBondContact CG1-O 3.31Å; E200-D203 CarbonylContact C-O 3.6Å; E200-D203 PolarHBondContact N-O 2.76Å; E200-D203 CarbonylContact O-C 3.59Å; E200-D203 PolarHBondContact O-N 3.4Å; S201-D203 PolarHBondContact O-N 3.27Å; D203-V205 PolarHBondContact O-N 3.23Å
204	V	45.8	Very low	72.8	Confident	93 Å²	93	46.1 Å²	46.1	56%	0.564	28%	0.277	S	S	*	.			trans	-72.9	81.8	174.8	-176.2	0	0	0	0	108.5	V199 N206	V199-V204 HydrophobicContact CG1-CG2 4.35Å; V199-V204 HydrophobicContact CG2-CG1 4.43Å; V199-V204 HydrophobicContact CG2-CG2 4.21Å; V204-N206 WeakPolarHBondContact CG1-OD1 3.36Å; V204-N206 PolarHBondContact O-N 2.86Å
205	V	50.2	Low	73.2	Confident	65 Å²	65	43.9 Å²	43.9	39%	0.394	26%	0.262	S	S	.	.			trans	-79.3	95.8	162.6	-174.9	0	0	0	0	106.7	T198 E200 D203 M207	T198-V205 CarbonylContact C-O 3.53Å; T198-V205 CarbonylContact O-C 3.53Å; T198-V205 PolarHBondContact OG1-O 3.32Å; E200-V205 HydrophobicContact CB-CB 3.55Å; E200-V205 HydrophobicContact CB-CG1 4.47Å; E200-V205 HydrophobicContact CB-CG2 3.59Å; E200-V205 HydrophobicContact CG-CG2 4.5Å; D203-V205 PolarHBondContact O-N 3.23Å; V205-M207 VanDerWaalsContact C-N 3.32Å; V205-M207 PolarHBondContact O-N 3.08Å
206	N	53.9	Low	73.8	Confident	58 Å²	58	44.2 Å²	44.2	31%	0.31	26%	0.264	S	S	.	.			trans	-61.3	95.1	168.3	-78.4	-24.1	0	0	0	108.4	N197 V204 N208	N197-N206 WeakPolarHBondContact CB-OD1 3.31Å; N197-N206 PolarHBondContact ND2-OD1 3.04Å; V204-N206 WeakPolarHBondContact CG1-OD1 3.36Å; V204-N206 PolarHBondContact O-N 2.86Å; N206-N208 WeakPolarHBondContact CB-OD1 3.37Å; N206-N208 PolarHBondContact O-N 3.49Å
207	M	64.2	Low	74.5	Confident	79 Å²	79	46.8 Å²	46.8	39%	0.389	28%	0.28	S	S	.	.			trans	-67.1	84	161.7	-170.7	-168.6	-63.4	0	0	105.5	Y127 T198 V205	Y127-M207 HydrophobicContact CD1-CG 4.26Å; Y127-M207 HydrophobicContact CD1-SD 3.82Å; Y127-M207 HydrophobicContact CE1-SD 4.04Å; T198-M207 HydrophobicContact CG2-CB 3.63Å; T198-M207 HydrophobicContact CG2-CE 4.4Å; T198-M207 HydrophobicContact CG2-SD 4.31Å; T198-M207 WeakPolarHBondContact OG1-CA 3.38Å; T198-M207 WeakPolarHBondContact OG1-CB 3.3Å; T198-M207 PolarHBondContact OG1-N 2.83Å; V205-M207 VanDerWaalsContact C-N 3.32Å; V205-M207 PolarHBondContact O-N 3.08Å
208	N	82.8	Confident	75.6	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.107	28%	0.284	C	S	.	.			trans	-73.6	146.3	170.4	-73.6	-5.1	0	0	0	108	N206 L256 K258	N206-N208 WeakPolarHBondContact CB-OD1 3.37Å; N206-N208 PolarHBondContact O-N 3.49Å; N208-L256 CarbonylContact C-O 3.5Å; N208-L256 WeakPolarHBondContact CA-O 3.25Å; N208-L256 WeakPolarHBondContact CB-O 3.26Å; N208-K258 HydrophobicContact CB-CB 4.16Å; N208-K258 HydrophobicContact CB-CD 4.45Å; N208-K258 HydrophobicContact CB-CG 3.28Å; N208-K258 WeakPolarHBondContact O-CE 3.44Å
209	F	94.9	Very high	77.2	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.3	178.3	-64.2	-86.4	0	0	0	110.2	L129 V160 R211 I212 L256 L257 K258	L129-F209 HydrophobicContact CB-CB 4.37Å; L129-F209 HydrophobicContact CB-CD1 3.63Å; L129-F209 HydrophobicContact CB-CD2 3.84Å; L129-F209 HydrophobicContact CB-CE1 3.78Å; L129-F209 HydrophobicContact CB-CE2 4Å; L129-F209 HydrophobicContact CB-CG 3.66Å; L129-F209 HydrophobicContact CB-CZ 3.96Å; L129-F209 HydrophobicContact CD1-CZ 4.22Å; L129-F209 HydrophobicContact CD2-CD2 3.94Å; L129-F209 HydrophobicContact CD2-CE2 3.74Å; L129-F209 HydrophobicContact CD2-CZ 4.22Å; L129-F209 HydrophobicContact CG-CE2 4.32Å; L129-F209 HydrophobicContact CG-CZ 4.37Å; V160-F209 HydrophobicContact CB-CE1 4.01Å; V160-F209 HydrophobicContact CB-CZ 4.28Å; V160-F209 HydrophobicContact CG2-CE1 3.78Å; V160-F209 HydrophobicContact CG2-CZ 4.15Å; F209-R211 VanDerWaalsContact C-N 3.35Å; F209-I212 HydrophobicContact CB-CD1 4.06Å; F209-I212 HydrophobicContact CB-CG1 3.68Å; F209-I212 HydrophobicContact CD2-CD1 4.25Å; F209-I212 HydrophobicContact CG-CD1 4.5Å; F209-I212 HydrophobicContact CG-CG1 4.33Å; F209-L256 HydrophobicContact CD2-CB 4.19Å; F209-L256 PolarHBondContact N-O 3.25Å; F209-L257 WeakPolarHBondContact O-CD1 3.4Å; F209-K258 WeakPolarHBondContact O-CB 3.49Å; F209-K258 PolarHBondContact O-N 3.1Å
210	D	97.8	Very high	79.2	Confident	29 Å²	29	45 Å²	45	16%	0.155	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-31.6	172.3	-57.4	-78.1	0	0	0	110.8	H126 Y127 K258 G261 L262	H126-D210 HydrophobicContact CB-CB 3.94Å; H126-D210 VanDerWaalsContact CD2-CB 3.45Å; H126-D210 WeakPolarHBondContact CD2-CB 3.31Å; Y127-D210 PolarHBondContact N-OD2 3.42Å; Y127-D210 PolarHBondContact O-N 3.35Å; D210-K258 WeakPolarHBondContact OD1-CD 3.25Å; D210-K258 IonicContact OD1-NZ 3.58Å; D210-K258 PolarHBondContact OD1-NZ 3.45Å; D210-K258 IonicContact OD2-NZ 3.78Å; D210-K258 PolarHBondContact OD2-NZ 3.18Å; D210-G261 WeakPolarHBondContact O-CA 3.35Å; D210-L262 PolarHBondContact O-N 2.64Å
211	R	98.6	Very high	81.4	Confident	24 Å²	24	39.5 Å²	39.5	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.3	179.1	-58.5	-64.1	-176.2	-91.7	3.5	111.1	M120 D121 H126 Y127 V128 L129 F209 L262	M120-R211 HydrophobicContact CE-CB 3.74Å; M120-R211 WeakPolarHBondContact O-CD 3.41Å; M120-R211 PolarHBondContact O-NE 3.04Å; D121-R211 PolarHBondContact O-NE 3.33Å; D121-R211 PolarHBondContact O-NH2 3.06Å; D121-R211 IonicContact OD2-NH2 3.41Å; D121-R211 PolarHBondContact OD2-NH2 2.99Å; H126-R211 PolarHBondContact CE1-NH2 3.09Å; Y127-R211 PolarHBondContact O-N 3.25Å; V128-R211 CarbonylContact C-O 3.48Å; V128-R211 VanDerWaalsContact CA-O 3.3Å; V128-R211 WeakPolarHBondContact CA-O 3.25Å; V128-R211 HydrophobicContact CB-CB 4.44Å; V128-R211 HydrophobicContact CG1-CB 3.98Å; V128-R211 HydrophobicContact CG2-CB 4.12Å; L129-R211 PolarHBondContact N-O 3.19Å; F209-R211 VanDerWaalsContact C-N 3.35Å; R211-L262 CarbonylContact C-O 3.57Å; R211-L262 VanDerWaalsContact CA-O 3.31Å; R211-L262 WeakPolarHBondContact CA-O 3.48Å
212	I	98.6	Very high	83.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.1	173.5	-56.8	-175.2	0	0	0	110.1	L129 F209 C253 L256 L257 L262 M263 V264	L129-I212 HydrophobicContact CB-CG1 4.08Å; L129-I212 HydrophobicContact CB-CG2 4.27Å; L129-I212 HydrophobicContact CD2-CD1 4.32Å; L129-I212 HydrophobicContact CD2-CG2 4.36Å; L129-I212 HydrophobicContact CG-CG2 4.39Å; L129-I212 CarbonylContact O-C 3.3Å; L129-I212 WeakPolarHBondContact O-CA 3.11Å; F209-I212 HydrophobicContact CB-CD1 4.06Å; F209-I212 HydrophobicContact CB-CG1 3.68Å; F209-I212 HydrophobicContact CD2-CD1 4.25Å; F209-I212 HydrophobicContact CG-CD1 4.5Å; F209-I212 HydrophobicContact CG-CG1 4.33Å; I212-C253 HydrophobicContact CD1-CB 4.32Å; I212-C253 WeakPolarHBondContact CD1-O 3.38Å; I212-C253 HydrophobicContact CG2-CB 3.85Å; I212-L256 HydrophobicContact CD1-CB 3.93Å; I212-L257 HydrophobicContact CB-CD1 4.46Å; I212-L257 HydrophobicContact CD1-CB 3.89Å; I212-L257 HydrophobicContact CD1-CD1 4.19Å; I212-L257 HydrophobicContact CG1-CB 4.49Å; I212-L257 HydrophobicContact CG1-CD1 3.87Å; I212-L262 PolarHBondContact N-O 2.83Å; I212-M263 CarbonylContact O-C 3.32Å; I212-M263 VanDerWaalsContact O-CA 3.3Å; I212-M263 WeakPolarHBondContact O-CA 3.45Å; I212-V264 PolarHBondContact O-N 2.79Å
213	L	98.8	Very high	85.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.6	165.6	-178.8	62.5	0	0	0	109.3	P116 M120 L129 M131 K138 I142 D215 V264	P116-L213 HydrophobicContact CB-CD1 3.62Å; M120-L213 HydrophobicContact CE-CB 3.87Å; M120-L213 HydrophobicContact SD-CB 3.82Å; M120-L213 HydrophobicContact SD-CD1 4.35Å; M120-L213 HydrophobicContact SD-CG 4.47Å; L129-L213 PolarHBondContact O-N 2.85Å; M131-L213 WeakPolarHBondContact CB-O 3.27Å; M131-L213 PolarHBondContact N-O 3.12Å; K138-L213 HydrophobicContact CB-CD2 3.77Å; K138-L213 HydrophobicContact CD-CD2 3.78Å; K138-L213 HydrophobicContact CG-CD2 4.41Å; I142-L213 HydrophobicContact CD1-CB 4.22Å; I142-L213 HydrophobicContact CD1-CD2 3.92Å; L213-D215 HydrophobicContact CD1-CB 4.37Å; L213-D215 HydrophobicContact CD2-CB 4.35Å; L213-D215 HydrophobicContact CG-CB 4.15Å; L213-V264 HydrophobicContact CD1-CB 4.09Å; L213-V264 HydrophobicContact CD1-CG1 4.05Å
214	C	97.6	Very high	88.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	65	178.3	-162.9	0	0	0	0	108.4	V216 M263 V264 Y265 S266	C214-V216 VanDerWaalsContact C-N 3.34Å; C214-V216 PolarHBondContact O-N 2.89Å; C214-V216 VanDerWaalsContact O-N 3.15Å; C214-V216 WeakPolarHBondContact SG-CG1 3.33Å; C214-M263 HydrophobicContact CB-CG 4.31Å; C214-M263 HydrophobicContact CB-SD 4.35Å; C214-V264 PolarHBondContact N-O 3.09Å; C214-Y265 HydrophobicContact CB-CD2 4.34Å; C214-S266 PolarHBondContact O-N 3.34Å
215	D	97.9	Very high	90.5	Very high	33 Å²	33	21 Å²	21	18%	0.176	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	80.1	174.8	-168.7	49.7	0	0	0	109.5	C132 K138 L213 S266	C132-D215 VanDerWaalsContact CB-O 3.25Å; C132-D215 WeakPolarHBondContact CB-O 3.5Å; K138-D215 HydrophobicContact CD-CB 4.31Å; K138-D215 VanDerWaalsContact CE-OD2 3.32Å; K138-D215 WeakPolarHBondContact CE-OD2 3.13Å; K138-D215 IonicContact NZ-OD1 3.75Å; K138-D215 IonicContact NZ-OD2 3.06Å; K138-D215 PolarHBondContact NZ-OD2 2.6Å; L213-D215 HydrophobicContact CD1-CB 4.37Å; L213-D215 HydrophobicContact CD2-CB 4.35Å; L213-D215 HydrophobicContact CG-CB 4.15Å; D215-S266 WeakPolarHBondContact CA-O 3.49Å; D215-S266 WeakPolarHBondContact CA-OG 3.33Å; D215-S266 WeakPolarHBondContact CB-OG 3.28Å; D215-S266 PolarHBondContact OD1-OG 2.9Å
216	V	98.3	Very high	92.5	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.042	12%	0.12	C	C	.	.			trans	-78.1	152.2	-163.2	-68.4	0	0	0	0	113	C214 C218 Q246 I249 Y265 S266 T267	C214-V216 VanDerWaalsContact C-N 3.34Å; C214-V216 PolarHBondContact O-N 2.89Å; C214-V216 VanDerWaalsContact O-N 3.15Å; C214-V216 WeakPolarHBondContact SG-CG1 3.33Å; V216-C218 PolarHBondContact O-N 2.88Å; V216-Q246 HydrophobicContact CB-CG 4.06Å; V216-Q246 HydrophobicContact CG2-CB 4.14Å; V216-Q246 HydrophobicContact CG2-CG 3.65Å; V216-I249 HydrophobicContact CG1-CB 4.25Å; V216-I249 HydrophobicContact CG1-CD1 4.43Å; V216-I249 HydrophobicContact CG1-CG2 3.95Å; V216-Y265 HydrophobicContact CB-CE2 4.45Å; V216-Y265 HydrophobicContact CG1-CD2 4.47Å; V216-Y265 HydrophobicContact CG1-CE2 4Å; V216-Y265 HydrophobicContact CG2-CD2 4.45Å; V216-Y265 HydrophobicContact CG2-CE2 3.56Å; V216-S266 PolarHBondContact N-O 2.82Å; V216-S266 VanDerWaalsContact N-O 3.09Å; V216-T267 HydrophobicContact CG2-CG2 3.86Å
217	P	97	Very high	94.4	Very high	62 Å²	62	22.8 Å²	22.8	40%	0.403	12%	0.122	S	C	.	.			trans	-55.3	130.1	166.1	-23.2	33.3	0	0	0	110.9	Q246	P217-Q246 WeakPolarHBondContact O-CG 3.23Å; P217-Q246 PolarHBondContact O-NE2 2.92Å
218	C	97.3	Very high	95.6	Very high	25 Å²	25	21 Å²	21	17%	0.169	11%	0.113	C	C	.	.			trans	-141.5	178.3	-178.4	70	0	0	0	0	111.4	V216 G220 T267 C268 E274	V216-C218 PolarHBondContact O-N 2.88Å; C218-G220 PolarHBondContact O-N 3.2Å; C218-G220 VanDerWaalsContact O-N 3.17Å; C218-G220 PolarHBondContact SG-N 3.12Å; C218-T267 HydrophobicContact CB-CG2 4.47Å; C218-C268 PolarHBondContact SG-N 2.88Å; C218-C268 VanDerWaalsContact SG-N 3.37Å; C218-C268 PolarHBondContact SG-SG 2.84Å; C218-E274 WeakPolarHBondContact CA-OE2 3.26Å; C218-E274 VanDerWaalsContact CB-OE2 3.26Å; C218-E274 WeakPolarHBondContact CB-OE2 3.18Å
219	S	96.1	Very high	96	Very high	13 Å²	13	24.4 Å²	24.4	9%	0.091	13%	0.132	C	C	.	.			trans	-64.5	-18.6	179.3	67.3	0	0	0	0	112.5	D221 L242 S269 E274	S219-D221 VanDerWaalsContact C-N 3.26Å; S219-D221 PolarHBondContact O-N 2.76Å; S219-D221 PolarHBondContact OG-OD1 2.89Å; S219-L242 VanDerWaalsContact N-CD1 3.34Å; S219-S269 PolarHBondContact OG-OG 3.39Å; S219-E274 WeakPolarHBondContact CB-OE1 3.43Å; S219-E274 PolarHBondContact N-OE2 3.34Å; S219-E274 PolarHBondContact OG-OE1 3.06Å
220	G	96	Very high	96	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.135	C	C	.	.			trans	69.9	19.4	171.3	0	0	0	0	0	113.7	C218 G222 T223 L230 C268	C218-G220 PolarHBondContact O-N 3.2Å; C218-G220 VanDerWaalsContact O-N 3.17Å; C218-G220 PolarHBondContact SG-N 3.12Å; G220-G222 PolarHBondContact O-N 2.93Å; G220-T223 WeakPolarHBondContact O-CA 3.47Å; G220-T223 WeakPolarHBondContact O-CB 3.14Å; G220-T223 WeakPolarHBondContact O-CG2 3.2Å; G220-T223 PolarHBondContact O-N 3.15Å; G220-T223 PolarHBondContact O-OG1 3Å; G220-L230 WeakPolarHBondContact O-CD1 3.47Å; G220-C268 CarbonylContact C-O 3.5Å; G220-C268 WeakPolarHBondContact CA-O 3.49Å
221	D	96.1	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-72.2	-16.1	-174.8	72	-52.7	0	0	0	114	F13 Y17 S219 T223 L224 W234 S269 M270	F13-D221 HydrophobicContact CE2-CB 4.26Å; Y17-D221 VanDerWaalsContact CE2-OD2 3.22Å; Y17-D221 WeakPolarHBondContact CE2-OD2 3.12Å; Y17-D221 PolarHBondContact OH-OD2 2.9Å; S219-D221 VanDerWaalsContact C-N 3.26Å; S219-D221 PolarHBondContact O-N 2.76Å; S219-D221 PolarHBondContact OG-OD1 2.89Å; D221-T223 PolarHBondContact O-N 2.85Å; D221-L224 WeakPolarHBondContact O-CD1 3.25Å; D221-L224 VanDerWaalsContact O-CG 3.26Å; D221-L224 WeakPolarHBondContact O-CG 3.29Å; D221-L224 PolarHBondContact O-N 3.22Å; D221-W234 VanDerWaalsContact CB-CD1 3.43Å; D221-W234 HydrophobicContact CB-CG 4.25Å; D221-W234 VanDerWaalsContact CB-NE1 3.26Å; D221-S269 WeakPolarHBondContact OD1-CA 3.35Å; D221-S269 WeakPolarHBondContact OD1-CB 3.46Å; D221-S269 PolarHBondContact OD1-OG 3.26Å; D221-M270 PolarHBondContact OD1-N 2.71Å; D221-M270 VanDerWaalsContact OD1-N 3.11Å
222	G	97	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.7	-12.6	161.3	0	0	0	0	0	113.4	G220 C268 G362 G363	G220-G222 PolarHBondContact O-N 2.93Å; G222-C268 VanDerWaalsContact CA-O 3.25Å; G222-C268 WeakPolarHBondContact CA-O 3.42Å; G222-C268 PolarHBondContact N-O 2.61Å; G222-G362 WeakPolarHBondContact O-CA 3.43Å; G222-G363 WeakPolarHBondContact CA-O 3.47Å; G222-G363 PolarHBondContact O-N 2.78Å
223	T	96.6	Very high	95	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.08	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-99	9	-179.2	78.9	0	0	0	0	115	G220 D221 R225 K226 N227 L230 C268	G220-T223 WeakPolarHBondContact O-CA 3.47Å; G220-T223 WeakPolarHBondContact O-CB 3.14Å; G220-T223 WeakPolarHBondContact O-CG2 3.2Å; G220-T223 PolarHBondContact O-N 3.15Å; G220-T223 PolarHBondContact O-OG1 3Å; D221-T223 PolarHBondContact O-N 2.85Å; T223-R225 PolarHBondContact O-N 3.15Å; T223-K226 WeakPolarHBondContact O-CG 3.35Å; T223-K226 PolarHBondContact O-N 3.2Å; T223-N227 PolarHBondContact O-N 2.84Å; T223-N227 WeakPolarHBondContact OG1-CB 3.47Å; T223-L230 WeakPolarHBondContact OG1-CD1 3.48Å; T223-C268 HydrophobicContact CG2-CB 3.7Å
224	L	96.3	Very high	94.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-25.1	-178.7	-79.2	166.9	0	0	0	115.1	F13 L35 D221 K226 L230 W231	F13-L224 HydrophobicContact CD2-CD1 3.84Å; F13-L224 HydrophobicContact CE1-CD1 4.09Å; F13-L224 HydrophobicContact CE2-CD1 3.32Å; F13-L224 HydrophobicContact CG-CD1 4.41Å; F13-L224 HydrophobicContact CZ-CD1 3.47Å; F13-L224 VanDerWaalsContact CZ-CD1 3.47Å; L35-L224 HydrophobicContact CD1-CD1 4.31Å; L35-L224 HydrophobicContact CD2-CB 4.22Å; D221-L224 WeakPolarHBondContact O-CD1 3.25Å; D221-L224 VanDerWaalsContact O-CG 3.26Å; D221-L224 WeakPolarHBondContact O-CG 3.29Å; D221-L224 PolarHBondContact O-N 3.22Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 3Å; L224-L230 HydrophobicContact CD2-CB 3.64Å; L224-W231 HydrophobicContact CB-CZ2 4.17Å; L224-W231 HydrophobicContact CD1-CZ2 4.44Å; L224-W231 HydrophobicContact CD2-CB 4.42Å; L224-W231 HydrophobicContact CD2-CD2 3.81Å; L224-W231 HydrophobicContact CD2-CE3 4.42Å; L224-W231 HydrophobicContact CD2-CG 3.78Å; L224-W231 PolarHBondContact O-NE1 3.12Å; L224-W231 VanDerWaalsContact O-NE1 3.13Å
225	R	95.2	Very high	94.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.6	176.4	-63.1	-175.7	65.9	-169.3	0.6	114.7	C34 L35 T37 D38 L39 T223 N360 T361	C34-R225 WeakPolarHBondContact O-CD 3.36Å; C34-R225 PolarHBondContact O-NE 2.89Å; L35-R225 HydrophobicContact CD2-CG 4.23Å; L35-R225 WeakPolarHBondContact O-CG 3.49Å; T37-R225 WeakPolarHBondContact O-CB 3.37Å; T37-R225 WeakPolarHBondContact O-CG 3.19Å; T37-R225 PolarHBondContact O-NE 3.23Å; T37-R225 PolarHBondContact OG1-NH2 3.09Å; D38-R225 PolarHBondContact O-NH2 2.78Å; L39-R225 HydrophobicContact CD2-CB 4.16Å; L39-R225 HydrophobicContact CG-CB 3.82Å; T223-R225 PolarHBondContact O-N 3.15Å; R225-N360 VanDerWaalsContact CZ-OD1 3.32Å; R225-N360 PolarHBondContact NH1-O 3.43Å; R225-N360 PolarHBondContact NH1-OD1 2.89Å; R225-N360 PolarHBondContact NH2-OD1 3.3Å; R225-T361 WeakPolarHBondContact CD-O 3.43Å; R225-T361 PolarHBondContact NH1-O 2.78Å
226	K	92.5	Very high	93.8	Very high	95 Å²	95	36.5 Å²	36.5	41%	0.413	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-31.6	178.3	70.6	-177.6	-172.5	-170.6	0	113.3	L39 E110 T223 L224 I228	L39-K226 HydrophobicContact CD1-CB 4.02Å; L39-K226 HydrophobicContact CD1-CD 3.98Å; L39-K226 HydrophobicContact CD1-CG 4.28Å; E110-K226 WeakPolarHBondContact OE1-CD 3.46Å; E110-K226 WeakPolarHBondContact OE1-CE 3.47Å; E110-K226 IonicContact OE1-NZ 3.95Å; E110-K226 PolarHBondContact OE1-NZ 3.48Å; E110-K226 IonicContact OE2-NZ 3.87Å; E110-K226 PolarHBondContact OE2-NZ 3.39Å; T223-K226 WeakPolarHBondContact O-CG 3.35Å; T223-K226 PolarHBondContact O-N 3.2Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 3Å; K226-I228 PolarHBondContact O-N 3.05Å
227	N	92.7	Very high	93.2	Very high	65 Å²	65	41.1 Å²	41.1	35%	0.348	21%	0.211	S	C	.	.			trans	-100.5	79.5	178.8	-167.8	-1.9	0	0	0	109.3	T223 N229 L230	T223-N227 PolarHBondContact O-N 2.84Å; T223-N227 WeakPolarHBondContact OG1-CB 3.47Å; N227-N229 PolarHBondContact O-N 2.57Å; N227-L230 HydrophobicContact CB-CD1 3.9Å; N227-L230 HydrophobicContact CB-CG 4.17Å; N227-L230 WeakPolarHBondContact ND2-CD1 3.22Å; N227-L230 WeakPolarHBondContact O-CB 3.41Å; N227-L230 PolarHBondContact O-N 3.01Å; N227-L230 VanDerWaalsContact O-N 3.16Å
228	I	90.4	Very high	92.8	Very high	40 Å²	40	42 Å²	42	21%	0.205	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.1	-169.9	-55.5	170.4	0	0	0	111.7	V6 K226 L230 W231	V6-I228 HydrophobicContact CB-CG2 3.53Å; V6-I228 HydrophobicContact CG1-CG2 3.66Å; V6-I228 HydrophobicContact CG2-CG2 4.27Å; K226-I228 PolarHBondContact O-N 3.05Å; I228-L230 PolarHBondContact O-N 3.3Å; I228-W231 PolarHBondContact O-N 3.29Å
229	N	91.5	Very high	92.6	Very high	92 Å²	92	40.9 Å²	40.9	49%	0.492	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.7	179.1	-66.2	-13.7	0	0	0	112.8	N227 W231 K232 E233	N227-N229 PolarHBondContact O-N 2.57Å; N229-W231 PolarHBondContact O-N 2.96Å; N229-W231 VanDerWaalsContact O-N 3.17Å; N229-K232 PolarHBondContact O-N 2.86Å; N229-E233 PolarHBondContact O-N 3.45Å; N229-E233 VanDerWaalsContact O-N 3.13Å
230	L	93.3	Very high	92.3	Very high	17 Å²	17	41.1 Å²	41.1	9%	0.089	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-23.6	179.7	-70.9	178.2	0	0	0	113.1	G220 T223 L224 N227 I228 K232 E233 W234	G220-L230 WeakPolarHBondContact O-CD1 3.47Å; T223-L230 WeakPolarHBondContact OG1-CD1 3.48Å; L224-L230 HydrophobicContact CD2-CB 3.64Å; N227-L230 HydrophobicContact CB-CD1 3.9Å; N227-L230 HydrophobicContact CB-CG 4.17Å; N227-L230 WeakPolarHBondContact ND2-CD1 3.22Å; N227-L230 WeakPolarHBondContact O-CB 3.41Å; N227-L230 PolarHBondContact O-N 3.01Å; N227-L230 VanDerWaalsContact O-N 3.16Å; I228-L230 PolarHBondContact O-N 3.3Å; L230-K232 PolarHBondContact O-N 2.78Å; L230-E233 PolarHBondContact O-N 3.42Å; L230-W234 WeakPolarHBondContact O-CB 3.48Å; L230-W234 PolarHBondContact O-N 3.28Å
231	W	93.9	Very high	92	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-37.4	173.8	-75.9	98.8	0	0	0	112	R8 R9 S10 M32 L35 K36 L224 I228 N229	R8-W231 HydrophobicContact CB-CD2 3.96Å; R8-W231 HydrophobicContact CB-CG 4.29Å; R8-W231 HydrophobicContact CB-CH2 4.5Å; R8-W231 HydrophobicContact CB-CZ2 3.89Å; R8-W231 HydrophobicContact CG-CG 4.49Å; R8-W231 WeakPolarHBondContact O-CZ3 3.44Å; R9-W231 VanDerWaalsContact N-CE3 3.33Å; S10-W231 WeakPolarHBondContact CB-O 3.45Å; S10-W231 PolarHBondContact OG-O 3.43Å; M32-W231 HydrophobicContact CE-CH2 4.03Å; M32-W231 HydrophobicContact CE-CZ3 4.09Å; L35-W231 HydrophobicContact CB-CH2 4.02Å; L35-W231 HydrophobicContact CB-CZ2 3.94Å; L35-W231 WeakPolarHBondContact O-CZ2 3.35Å; K36-W231 HydrophobicContact CG-CH2 4.15Å; K36-W231 HydrophobicContact CG-CZ2 4.25Å; L224-W231 HydrophobicContact CB-CZ2 4.17Å; L224-W231 HydrophobicContact CD1-CZ2 4.44Å; L224-W231 HydrophobicContact CD2-CB 4.42Å; L224-W231 HydrophobicContact CD2-CD2 3.81Å; L224-W231 HydrophobicContact CD2-CE3 4.42Å; L224-W231 HydrophobicContact CD2-CG 3.78Å; L224-W231 PolarHBondContact O-NE1 3.12Å; L224-W231 VanDerWaalsContact O-NE1 3.13Å; I228-W231 PolarHBondContact O-N 3.29Å; N229-W231 PolarHBondContact O-N 2.96Å; N229-W231 VanDerWaalsContact O-N 3.17Å
232	K	90.5	Very high	92	Very high	146 Å²	146	45.1 Å²	45.1	64%	0.635	23%	0.233	S	C	*	.	H	α-helix	trans	-91	-35.6	-179.5	-66.9	180	173.6	177.2	0	112.8	V6 N229 L230	V6-K232 HydrophobicContact CG1-CD 4.21Å; N229-K232 PolarHBondContact O-N 2.86Å; L230-K232 PolarHBondContact O-N 2.78Å
233	E	90.6	Very high	92	Very high	120 Å²	120	45.1 Å²	45.1	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-93.5	-20.6	-168.4	-66.1	175	176.5	0	0	114.2	N229 L230 N235 Q238	N229-E233 PolarHBondContact O-N 3.45Å; N229-E233 VanDerWaalsContact O-N 3.13Å; L230-E233 PolarHBondContact O-N 3.42Å; E233-N235 PolarHBondContact O-N 3.01Å; E233-Q238 PolarHBondContact O-NE2 2.76Å; E233-Q238 VanDerWaalsContact O-NE2 3.1Å
234	W	92.9	Very high	91.9	Very high	6 Å²	6	49 Å²	49	2%	0.023	25%	0.248	C	C	.	.			trans	-66.8	136	-174.8	-179	87.6	0	0	0	112	F13 Y16 Y17 D221 L230 P236	F13-W234 HydrophobicContact CB-CE3 3.86Å; F13-W234 HydrophobicContact CB-CZ3 3.9Å; F13-W234 HydrophobicContact CD2-CD2 4.01Å; F13-W234 AromaticContact CD2-CE3 3.91Å; F13-W234 HydrophobicContact CD2-CE3 3.91Å; F13-W234 HydrophobicContact CD2-CH2 4.28Å; F13-W234 HydrophobicContact CD2-CZ2 4.37Å; F13-W234 HydrophobicContact CD2-CZ3 4.08Å; F13-W234 HydrophobicContact CG-CE3 4.39Å; F13-W234 HydrophobicContact CG-CZ3 4.42Å; Y16-W234 AromaticContact CD1-CH2 3.59Å; Y16-W234 HydrophobicContact CD1-CH2 3.59Å; Y16-W234 HydrophobicContact CD1-CZ2 4.14Å; Y16-W234 HydrophobicContact CE1-CH2 4.23Å; Y16-W234 HydrophobicContact CE1-CZ2 4.4Å; Y16-W234 AromaticContact CG-CH2 3.8Å; Y16-W234 HydrophobicContact CG-CH2 3.8Å; Y17-W234 HydrophobicContact CD2-CH2 4.42Å; Y17-W234 AromaticContact CE2-CH2 3.92Å; Y17-W234 HydrophobicContact CE2-CH2 3.92Å; Y17-W234 AromaticContact CE2-CZ2 3.71Å; Y17-W234 HydrophobicContact CE2-CZ2 3.71Å; D221-W234 VanDerWaalsContact CB-CD1 3.43Å; D221-W234 HydrophobicContact CB-CG 4.25Å; D221-W234 VanDerWaalsContact CB-NE1 3.26Å; L230-W234 WeakPolarHBondContact O-CB 3.48Å; L230-W234 PolarHBondContact O-N 3.28Å; W234-P236 HydrophobicContact CH2-CB 4.17Å; W234-P236 HydrophobicContact CH2-CG 4.45Å
235	N	88.8	Confident	92	Very high	49 Å²	49	51.3 Å²	51.3	26%	0.262	26%	0.261	S	S	.	.			trans	-146.8	134.3	176.5	-180	-27.6	0	0	0	110	E233 I237 Q238	E233-N235 PolarHBondContact O-N 3.01Å; N235-I237 PolarHBondContact O-N 3.45Å; N235-I237 WeakPolarHBondContact OD1-CB 3.49Å; N235-I237 VanDerWaalsContact OD1-CG1 3.3Å; N235-I237 WeakPolarHBondContact OD1-CG1 3.5Å; N235-I237 PolarHBondContact OD1-N 3.39Å; N235-Q238 HydrophobicContact CB-CG 4.44Å; N235-Q238 WeakPolarHBondContact O-CB 3.32Å; N235-Q238 PolarHBondContact O-N 3.38Å; N235-Q238 PolarHBondContact O-OE1 2.75Å
236	P	85.9	Confident	92.1	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.032	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.3	179	24.2	-35.8	0	0	0	114.1	Y16 W234 Q238 A239	Y16-P236 HydrophobicContact CD2-CB 3.67Å; Y16-P236 HydrophobicContact CD2-CG 4.06Å; Y16-P236 HydrophobicContact CE2-CB 3.58Å; Y16-P236 HydrophobicContact CE2-CG 4.41Å; Y16-P236 HydrophobicContact CG-CB 4.27Å; W234-P236 HydrophobicContact CH2-CB 4.17Å; W234-P236 HydrophobicContact CH2-CG 4.45Å; P236-Q238 PolarHBondContact O-N 3.17Å; P236-A239 VanDerWaalsContact O-CB 3.29Å; P236-A239 WeakPolarHBondContact O-CB 3.46Å; P236-A239 PolarHBondContact O-N 2.91Å
237	I	86.5	Confident	92.4	Very high	104 Å²	104	47.1 Å²	47.1	53%	0.533	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.3	177.4	-63	170.9	0	0	0	112	N235 A239 Y240	N235-I237 PolarHBondContact O-N 3.45Å; N235-I237 WeakPolarHBondContact OD1-CB 3.49Å; N235-I237 VanDerWaalsContact OD1-CG1 3.3Å; N235-I237 WeakPolarHBondContact OD1-CG1 3.5Å; N235-I237 PolarHBondContact OD1-N 3.39Å; I237-A239 PolarHBondContact O-N 3.18Å; I237-Y240 HydrophobicContact CB-CD2 4.44Å; I237-Y240 HydrophobicContact CB-CE2 4.42Å; I237-Y240 HydrophobicContact CG1-CE2 4.31Å; I237-Y240 HydrophobicContact CG2-CD2 4.2Å; I237-Y240 WeakPolarHBondContact O-CD2 3.3Å; I237-Y240 PolarHBondContact O-N 2.88Å
238	Q	89.6	Confident	92.6	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-32.9	178.3	-68.8	166	-22.2	0	0	111.5	E233 N235 P236 Y240 G241 L242	E233-Q238 PolarHBondContact O-NE2 2.76Å; E233-Q238 VanDerWaalsContact O-NE2 3.1Å; N235-Q238 HydrophobicContact CB-CG 4.44Å; N235-Q238 WeakPolarHBondContact O-CB 3.32Å; N235-Q238 PolarHBondContact O-N 3.38Å; N235-Q238 PolarHBondContact O-OE1 2.75Å; P236-Q238 PolarHBondContact O-N 3.17Å; Q238-Y240 PolarHBondContact O-N 3.04Å; Q238-G241 PolarHBondContact O-N 3.47Å; Q238-L242 WeakPolarHBondContact O-CG 3.18Å; Q238-L242 PolarHBondContact O-N 3.01Å
239	A	92.1	Very high	92.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-28	-179.6	0	0	0	0	0	113.1	P236 I237 H243 N271 V273 E274	P236-A239 VanDerWaalsContact O-CB 3.29Å; P236-A239 WeakPolarHBondContact O-CB 3.46Å; P236-A239 PolarHBondContact O-N 2.91Å; I237-A239 PolarHBondContact O-N 3.18Å; A239-H243 WeakPolarHBondContact O-CB 3.36Å; A239-H243 PolarHBondContact O-N 2.84Å; A239-N271 VanDerWaalsContact CB-ND2 3.33Å; A239-N271 WeakPolarHBondContact CB-ND2 3.13Å; A239-V273 HydrophobicContact CB-CB 4.12Å; A239-V273 HydrophobicContact CB-CG1 3.89Å; A239-E274 HydrophobicContact CB-CG 3.79Å
240	Y	90.6	Very high	93.2	Very high	18 Å²	18	43.8 Å²	43.8	7%	0.071	22%	0.22	C	C	.	.	H	α-helix	trans	-71.5	-39.1	-177.8	-54.5	-45.2	0	0	0	113.3	I237 Q238 V273 A313 I331	I237-Y240 HydrophobicContact CB-CD2 4.44Å; I237-Y240 HydrophobicContact CB-CE2 4.42Å; I237-Y240 HydrophobicContact CG1-CE2 4.31Å; I237-Y240 HydrophobicContact CG2-CD2 4.2Å; I237-Y240 WeakPolarHBondContact O-CD2 3.3Å; I237-Y240 PolarHBondContact O-N 2.88Å; Q238-Y240 PolarHBondContact O-N 3.04Å; Y240-V273 HydrophobicContact CD1-CG1 4.07Å; Y240-V273 HydrophobicContact CE1-CG1 4.39Å; Y240-V273 HydrophobicContact CE1-CG2 4.5Å; Y240-A313 WeakPolarHBondContact CE1-O 3.28Å; Y240-A313 VanDerWaalsContact CZ-O 3.3Å; Y240-A313 PolarHBondContact OH-O 3.45Å; Y240-I331 HydrophobicContact CD1-CB 4.46Å; Y240-I331 HydrophobicContact CD1-CG1 4.26Å; Y240-I331 HydrophobicContact CD1-CG2 3.87Å; Y240-I331 HydrophobicContact CD2-CG1 4.09Å; Y240-I331 HydrophobicContact CE1-CB 4.41Å; Y240-I331 HydrophobicContact CE1-CD1 4.07Å; Y240-I331 HydrophobicContact CE1-CG1 3.94Å; Y240-I331 HydrophobicContact CE1-CG2 3.75Å; Y240-I331 HydrophobicContact CE2-CD1 4.04Å; Y240-I331 HydrophobicContact CE2-CG1 3.76Å; Y240-I331 HydrophobicContact CG-CG1 4.33Å; Y240-I331 WeakPolarHBondContact OH-CD1 3.49Å
241	G	89.3	Confident	93.3	Very high	52 Å²	52	44.1 Å²	44.1	54%	0.536	22%	0.221	S	C	.	.	H	α-helix	trans	-68.5	-44.4	174.8	0	0	0	0	0	111	Q238 K244 L245	Q238-G241 PolarHBondContact O-N 3.47Å; G241-K244 PolarHBondContact O-N 3.4Å; G241-L245 PolarHBondContact O-N 2.92Å
242	L	96	Very high	93.3	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.199	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-41.6	178.6	-69	166.9	0	0	0	112.1	S219 Q238 K244 L245 Q246	S219-L242 VanDerWaalsContact N-CD1 3.34Å; Q238-L242 WeakPolarHBondContact O-CG 3.18Å; Q238-L242 PolarHBondContact O-N 3.01Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.11Å; L242-L245 CarbonylContact O-C 3.59Å; L242-L245 WeakPolarHBondContact O-CA 3.34Å; L242-L245 WeakPolarHBondContact O-CB 2.95Å; L242-L245 PolarHBondContact O-N 2.89Å; L242-Q246 WeakPolarHBondContact O-CB 3.36Å; L242-Q246 WeakPolarHBondContact O-CG 3.33Å; L242-Q246 PolarHBondContact O-N 3.06Å
243	H	96.8	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-52.7	-45.4	175	172.1	89.9	0	0	0	112.4	A239 L245 Q246 L247 V273 V278 T334	A239-H243 WeakPolarHBondContact O-CB 3.36Å; A239-H243 PolarHBondContact O-N 2.84Å; H243-L245 VanDerWaalsContact C-N 3.32Å; H243-L245 PolarHBondContact O-N 3.26Å; H243-Q246 PolarHBondContact O-N 3.47Å; H243-L247 VanDerWaalsContact O-CB 3.27Å; H243-L247 WeakPolarHBondContact O-CB 3.32Å; H243-L247 PolarHBondContact O-N 2.76Å; H243-V273 HydrophobicContact CB-CG1 3.98Å; H243-V273 PolarHBondContact ND1-O 3.42Å; H243-V278 WeakPolarHBondContact ND1-CG2 3.19Å; H243-T334 PolarHBondContact CD2-OG1 2.99Å; H243-T334 VanDerWaalsContact CE1-C 3.49Å; H243-T334 PolarHBondContact CE1-O 2.83Å; H243-T334 VanDerWaalsContact NE2-C 3.28Å; H243-T334 WeakPolarHBondContact NE2-CB 3.23Å; H243-T334 PolarHBondContact NE2-O 3.45Å; H243-T334 PolarHBondContact NE2-OG1 3.44Å
244	K	95.5	Very high	93.7	Very high	94 Å²	94	32 Å²	32	41%	0.409	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-40.7	177.7	-67.7	175.3	-177.6	173.8	0	111.6	G241 L242 K248 P332	G241-K244 PolarHBondContact O-N 3.4Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.11Å; K244-K248 VanDerWaalsContact O-CG 3.29Å; K244-K248 WeakPolarHBondContact O-CG 3.47Å; K244-K248 PolarHBondContact O-N 2.67Å; K244-P332 HydrophobicContact CG-CB 4.22Å; K244-P332 HydrophobicContact CG-CG 4.08Å
245	L	96.6	Very high	93.6	Very high	50 Å²	50	33.7 Å²	33.7	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-66.5	-52.4	177.1	175.3	62.8	0	0	0	111.1	M193 G241 L242 H243 L247 K248 I249	M193-L245 HydrophobicContact CE-CD1 3.8Å; M193-L245 HydrophobicContact CG-CD1 3.96Å; M193-L245 HydrophobicContact SD-CD1 3.49Å; M193-L245 WeakPolarHBondContact SD-CD1 3.18Å; G241-L245 PolarHBondContact O-N 2.92Å; L242-L245 CarbonylContact O-C 3.59Å; L242-L245 WeakPolarHBondContact O-CA 3.34Å; L242-L245 WeakPolarHBondContact O-CB 2.95Å; L242-L245 PolarHBondContact O-N 2.89Å; H243-L245 VanDerWaalsContact C-N 3.32Å; H243-L245 PolarHBondContact O-N 3.26Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.3Å; L245-K248 WeakPolarHBondContact O-CB 3.33Å; L245-K248 PolarHBondContact O-N 3.5Å; L245-K248 VanDerWaalsContact O-N 3.12Å; L245-I249 HydrophobicContact CD1-CD1 3.88Å; L245-I249 HydrophobicContact CD1-CG1 4.21Å; L245-I249 HydrophobicContact CG-CD1 3.89Å; L245-I249 WeakPolarHBondContact O-CG1 3.5Å; L245-I249 PolarHBondContact O-N 2.99Å
246	Q	98.6	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-46.2	-179.2	-67.9	161.7	-12.8	0	0	111.3	V216 P217 L242 H243 I249 A250 E274 V278	V216-Q246 HydrophobicContact CB-CG 4.06Å; V216-Q246 HydrophobicContact CG2-CB 4.14Å; V216-Q246 HydrophobicContact CG2-CG 3.65Å; P217-Q246 WeakPolarHBondContact O-CG 3.23Å; P217-Q246 PolarHBondContact O-NE2 2.92Å; L242-Q246 WeakPolarHBondContact O-CB 3.36Å; L242-Q246 WeakPolarHBondContact O-CG 3.33Å; L242-Q246 PolarHBondContact O-N 3.06Å; H243-Q246 PolarHBondContact O-N 3.47Å; Q246-I249 PolarHBondContact O-N 2.63Å; Q246-A250 WeakPolarHBondContact O-CB 3.39Å; Q246-A250 PolarHBondContact O-N 3.5Å; Q246-E274 PolarHBondContact NE2-OE2 3.23Å; Q246-E274 VanDerWaalsContact OE1-CA 3.28Å; Q246-V278 HydrophobicContact CB-CG1 4.31Å; Q246-V278 HydrophobicContact CB-CG2 4.02Å
247	L	97.9	Very high	94.2	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-42.1	177.1	-177.8	57	0	0	0	112.4	H243 L245 A250 L251 V278 L282 T334	H243-L247 VanDerWaalsContact O-CB 3.27Å; H243-L247 WeakPolarHBondContact O-CB 3.32Å; H243-L247 PolarHBondContact O-N 2.76Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.3Å; L247-A250 PolarHBondContact O-N 3.12Å; L247-L251 HydrophobicContact CD1-CD1 4.03Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 VanDerWaalsContact O-CB 3.32Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 WeakPolarHBondContact O-CD1 3.28Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.2Å; L247-L251 PolarHBondContact O-N 3.41Å; L247-V278 HydrophobicContact CB-CG1 4.3Å; L247-V278 HydrophobicContact CD1-CG1 4.38Å; L247-L282 HydrophobicContact CD1-CB 3.96Å; L247-T334 HydrophobicContact CD2-CG2 3.98Å
248	K	96.4	Very high	94.6	Very high	124 Å²	124	29.5 Å²	29.5	54%	0.539	15%	0.149	S	C	.	.	H	α-helix	trans	-63.2	-42.6	175.8	-76.5	177.1	179.1	-175.2	0	112.1	M193 K244 L245 R252	M193-K248 HydrophobicContact CG-CB 3.89Å; M193-K248 HydrophobicContact SD-CB 3.95Å; M193-K248 HydrophobicContact SD-CD 3.66Å; M193-K248 HydrophobicContact SD-CG 4.49Å; K244-K248 VanDerWaalsContact O-CG 3.29Å; K244-K248 WeakPolarHBondContact O-CG 3.47Å; K244-K248 PolarHBondContact O-N 2.67Å; L245-K248 WeakPolarHBondContact O-CB 3.33Å; L245-K248 PolarHBondContact O-N 3.5Å; L245-K248 VanDerWaalsContact O-N 3.12Å; K248-R252 PolarHBondContact O-N 2.84Å
249	I	97.5	Very high	94.8	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-50.3	176.4	-65.2	171.3	0	0	0	109.8	M131 A192 M193 V216 L245 Q246 L251 R252 C253	M131-I249 HydrophobicContact CG-CG2 3.76Å; A192-I249 HydrophobicContact CB-CB 4.49Å; A192-I249 HydrophobicContact CB-CD1 4.01Å; A192-I249 HydrophobicContact CB-CG1 3.84Å; A192-I249 HydrophobicContact CB-CG2 3.93Å; M193-I249 HydrophobicContact CG-CG1 3.87Å; V216-I249 HydrophobicContact CG1-CB 4.25Å; V216-I249 HydrophobicContact CG1-CD1 4.43Å; V216-I249 HydrophobicContact CG1-CG2 3.95Å; L245-I249 HydrophobicContact CD1-CD1 3.88Å; L245-I249 HydrophobicContact CD1-CG1 4.21Å; L245-I249 HydrophobicContact CG-CD1 3.89Å; L245-I249 WeakPolarHBondContact O-CG1 3.5Å; L245-I249 PolarHBondContact O-N 2.99Å; Q246-I249 PolarHBondContact O-N 2.63Å; I249-L251 VanDerWaalsContact C-N 3.33Å; I249-L251 PolarHBondContact O-N 2.91Å; I249-R252 WeakPolarHBondContact O-CA 3.36Å; I249-R252 WeakPolarHBondContact O-CB 3.35Å; I249-R252 PolarHBondContact O-N 3.37Å; I249-C253 PolarHBondContact O-N 3.14Å; I249-C253 PolarHBondContact O-SG 2.91Å
250	A	98	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-38.3	-179.4	0	0	0	0	0	112.6	Q246 L247 R252 C253 S254 Y265 L282	Q246-A250 WeakPolarHBondContact O-CB 3.39Å; Q246-A250 PolarHBondContact O-N 3.5Å; L247-A250 PolarHBondContact O-N 3.12Å; A250-R252 VanDerWaalsContact C-N 3.31Å; A250-R252 PolarHBondContact O-N 3.41Å; A250-C253 WeakPolarHBondContact O-CB 2.96Å; A250-C253 PolarHBondContact O-N 2.85Å; A250-S254 PolarHBondContact O-N 3.43Å; A250-Y265 HydrophobicContact CB-CD2 4.18Å; A250-Y265 HydrophobicContact CB-CE2 4.37Å; A250-L282 HydrophobicContact CB-CD1 3.96Å; A250-L282 HydrophobicContact CB-CD2 3.81Å; A250-L282 HydrophobicContact CB-CG 4.41Å
251	L	95.5	Very high	95.4	Very high	24 Å²	24	30.5 Å²	30.5	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-31.3	172.3	-77.1	165.2	0	0	0	112.9	L247 I249 S254 K255 L282 Q285	L247-L251 HydrophobicContact CD1-CD1 4.03Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 VanDerWaalsContact O-CB 3.32Å; L247-L251 WeakPolarHBondContact O-CB 3.47Å; L247-L251 WeakPolarHBondContact O-CD1 3.28Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.2Å; L247-L251 PolarHBondContact O-N 3.41Å; I249-L251 VanDerWaalsContact C-N 3.33Å; I249-L251 PolarHBondContact O-N 2.91Å; L251-S254 PolarHBondContact O-OG 3.37Å; L251-K255 WeakPolarHBondContact O-CG 3.48Å; L251-K255 PolarHBondContact O-N 3.25Å; L251-L282 HydrophobicContact CB-CD1 4.44Å; L251-L282 HydrophobicContact CD2-CD1 3.72Å; L251-L282 HydrophobicContact CG-CD1 3.81Å; L251-Q285 HydrophobicContact CD1-CB 4.31Å; L251-Q285 VanDerWaalsContact CD1-OE1 3.23Å; L251-Q285 HydrophobicContact CD2-CB 3.82Å
252	R	93.6	Very high	95.9	Very high	13 Å²	13	28.9 Å²	28.9	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-70.9	-44.8	173.4	-174.6	56.4	-178.9	147.9	-2.8	110.7	A192 M195 P196 N197 K248 I249 A250 S254 K255 L256	A192-R252 WeakPolarHBondContact O-CG 3.18Å; M195-R252 HydrophobicContact CB-CG 4.47Å; M195-R252 PolarHBondContact O-NE 3.19Å; M195-R252 PolarHBondContact O-NH2 3.01Å; P196-R252 VanDerWaalsContact C-NH2 3.27Å; N197-R252 PolarHBondContact OD1-NH1 3.41Å; N197-R252 PolarHBondContact OD1-NH2 3.22Å; K248-R252 PolarHBondContact O-N 2.84Å; I249-R252 WeakPolarHBondContact O-CA 3.36Å; I249-R252 WeakPolarHBondContact O-CB 3.35Å; I249-R252 PolarHBondContact O-N 3.37Å; A250-R252 VanDerWaalsContact C-N 3.31Å; A250-R252 PolarHBondContact O-N 3.41Å; R252-S254 VanDerWaalsContact C-N 3.28Å; R252-S254 PolarHBondContact O-N 3.49Å; R252-K255 PolarHBondContact O-N 3.36Å; R252-L256 HydrophobicContact CG-CD1 4.21Å; R252-L256 WeakPolarHBondContact O-CG 3.36Å; R252-L256 PolarHBondContact O-N 2.98Å
253	C	95	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55	-42.9	173.5	-65.5	0	0	0	0	111.4	M131 I212 I249 A250 K255 L256 L257 M263	M131-C253 WeakPolarHBondContact CE-SG 3.19Å; I212-C253 HydrophobicContact CD1-CB 4.32Å; I212-C253 WeakPolarHBondContact CD1-O 3.38Å; I212-C253 HydrophobicContact CG2-CB 3.85Å; I249-C253 PolarHBondContact O-N 3.14Å; I249-C253 PolarHBondContact O-SG 2.91Å; A250-C253 WeakPolarHBondContact O-CB 2.96Å; A250-C253 PolarHBondContact O-N 2.85Å; C253-K255 PolarHBondContact O-N 2.83Å; C253-L256 PolarHBondContact O-N 2.92Å; C253-L256 VanDerWaalsContact O-N 3.08Å; C253-L257 PolarHBondContact O-N 3.23Å; C253-M263 VanDerWaalsContact C-CE 3.41Å; C253-M263 HydrophobicContact CB-CE 3.36Å; C253-M263 HydrophobicContact CB-SD 3.87Å
254	S	94.4	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-29.7	-176.4	70.1	0	0	0	0	112.9	A250 L251 R252 M263 K371	A250-S254 PolarHBondContact O-N 3.43Å; L251-S254 PolarHBondContact O-OG 3.37Å; R252-S254 VanDerWaalsContact C-N 3.28Å; R252-S254 PolarHBondContact O-N 3.49Å; S254-M263 VanDerWaalsContact CA-CE 3.41Å; S254-K371 WeakPolarHBondContact O-CD 3.29Å; S254-K371 WeakPolarHBondContact O-CE 3.38Å; S254-K371 PolarHBondContact O-NZ 3.43Å
255	K	91	Very high	96.2	Very high	41 Å²	41	22.6 Å²	22.6	18%	0.178	12%	0.123	C	C	.	.	H	α-helix	trans	-73.3	-33.9	173.9	-68.4	170.7	-178	174.9	0	112.5	L251 R252 C253 V375 S376	L251-K255 WeakPolarHBondContact O-CG 3.48Å; L251-K255 PolarHBondContact O-N 3.25Å; R252-K255 PolarHBondContact O-N 3.36Å; C253-K255 PolarHBondContact O-N 2.83Å; K255-V375 HydrophobicContact CG-CB 4.36Å; K255-V375 HydrophobicContact CG-CG1 3.92Å; K255-S376 WeakPolarHBondContact CE-O 3.26Å
256	L	92.1	Very high	96.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-83.3	-13	178.8	-65.7	172.8	0	0	0	113.4	L129 M131 M195 N197 N208 F209 I212 R252 C253	L129-L256 HydrophobicContact CD2-CD1 4.05Å; M131-L256 HydrophobicContact CE-CD1 3.86Å; M195-L256 HydrophobicContact CB-CD1 4.1Å; M195-L256 HydrophobicContact CG-CD1 3.91Å; N197-L256 WeakPolarHBondContact OD1-CD2 3.15Å; N208-L256 CarbonylContact C-O 3.5Å; N208-L256 WeakPolarHBondContact CA-O 3.25Å; N208-L256 WeakPolarHBondContact CB-O 3.26Å; F209-L256 HydrophobicContact CD2-CB 4.19Å; F209-L256 PolarHBondContact N-O 3.25Å; I212-L256 HydrophobicContact CD1-CB 3.93Å; R252-L256 HydrophobicContact CG-CD1 4.21Å; R252-L256 WeakPolarHBondContact O-CG 3.36Å; R252-L256 PolarHBondContact O-N 2.98Å; C253-L256 PolarHBondContact O-N 2.92Å; C253-L256 VanDerWaalsContact O-N 3.08Å
257	L	95	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138	179.9	-173	66.5	0	0	0	110.9	F209 I212 C253 L262 M263 K371	F209-L257 WeakPolarHBondContact O-CD1 3.4Å; I212-L257 HydrophobicContact CB-CD1 4.46Å; I212-L257 HydrophobicContact CD1-CB 3.89Å; I212-L257 HydrophobicContact CD1-CD1 4.19Å; I212-L257 HydrophobicContact CG1-CB 4.49Å; I212-L257 HydrophobicContact CG1-CD1 3.87Å; C253-L257 PolarHBondContact O-N 3.23Å; L257-L262 WeakPolarHBondContact CD1-O 3.44Å; L257-M263 HydrophobicContact CD2-CB 3.97Å; L257-K371 HydrophobicContact CB-CD 4.16Å; L257-K371 HydrophobicContact CD2-CB 3.76Å; L257-K371 HydrophobicContact CG-CB 4.22Å; L257-K371 HydrophobicContact CG-CD 4.45Å; L257-K371 WeakPolarHBondContact O-CD 3.39Å; L257-K371 WeakPolarHBondContact O-CE 3.48Å; L257-K371 PolarHBondContact O-NZ 2.71Å
258	K	94.4	Very high	96.3	Very high	68 Å²	68	21.5 Å²	21.5	30%	0.296	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	146.6	170.3	-74.2	170.5	172.6	157.7	0	110.1	N208 F209 D210 G260 G261	N208-K258 HydrophobicContact CB-CB 4.16Å; N208-K258 HydrophobicContact CB-CD 4.45Å; N208-K258 HydrophobicContact CB-CG 3.28Å; N208-K258 WeakPolarHBondContact O-CE 3.44Å; F209-K258 WeakPolarHBondContact O-CB 3.49Å; F209-K258 PolarHBondContact O-N 3.1Å; D210-K258 WeakPolarHBondContact OD1-CD 3.25Å; D210-K258 IonicContact OD1-NZ 3.58Å; D210-K258 PolarHBondContact OD1-NZ 3.45Å; D210-K258 IonicContact OD2-NZ 3.78Å; D210-K258 PolarHBondContact OD2-NZ 3.18Å; K258-G260 PolarHBondContact O-N 3.18Å; K258-G261 WeakPolarHBondContact O-CA 3.44Å; K258-G261 PolarHBondContact O-N 3.41Å
259	V	95.2	Very high	96.4	Very high	69 Å²	69	15.6 Å²	15.6	42%	0.418	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	134.7	164.8	177.5	0	0	0	0	108.6	G261 K371 E374	V259-G261 VanDerWaalsContact C-N 3.25Å; V259-G261 PolarHBondContact O-N 3.47Å; V259-K371 HydrophobicContact CG2-CD 4.29Å; V259-K371 HydrophobicContact CG2-CG 4.35Å; V259-E374 HydrophobicContact CG2-CG 4Å; V259-E374 WeakPolarHBondContact CG2-OE1 3.07Å
260	G	97	Very high	96.4	Very high	49 Å²	49	15.6 Å²	15.6	51%	0.505	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.7	-12.3	-169.2	0	0	0	0	0	114.7	K258 K371	K258-G260 PolarHBondContact O-N 3.18Å; G260-K371 WeakPolarHBondContact CA-O 3Å; G260-K371 PolarHBondContact N-O 3.18Å
261	G	98	Very high	96.3	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.031	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	164.9	176.4	0	0	0	0	0	113.2	D210 K258 V259 R370 K371	D210-G261 WeakPolarHBondContact O-CA 3.35Å; K258-G261 WeakPolarHBondContact O-CA 3.44Å; K258-G261 PolarHBondContact O-N 3.41Å; V259-G261 VanDerWaalsContact C-N 3.25Å; V259-G261 PolarHBondContact O-N 3.47Å; G261-R370 WeakPolarHBondContact O-CA 3.41Å; G261-K371 PolarHBondContact O-N 3.21Å; G261-K371 VanDerWaalsContact O-N 3.09Å
262	L	98.6	Very high	96.3	Very high	19 Å²	19	14.5 Å²	14.5	10%	0.099	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133	176.7	-57.7	179.1	0	0	0	111.7	D121 D210 R211 I212 L257 M293 L369 R370	D121-L262 HydrophobicContact CB-CD1 4.49Å; D210-L262 PolarHBondContact O-N 2.64Å; R211-L262 CarbonylContact C-O 3.57Å; R211-L262 VanDerWaalsContact CA-O 3.31Å; R211-L262 WeakPolarHBondContact CA-O 3.48Å; I212-L262 PolarHBondContact N-O 2.83Å; L257-L262 WeakPolarHBondContact CD1-O 3.44Å; L262-M293 HydrophobicContact CD2-CG 4.17Å; L262-L369 CarbonylContact C-O 3.56Å; L262-L369 WeakPolarHBondContact CA-O 3.27Å; L262-R370 HydrophobicContact CD2-CB 3.83Å; L262-R370 HydrophobicContact CD2-CG 4.2Å
263	M	98.7	Very high	96.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	163.9	-173.7	-176.1	-52.3	0	0	109.2	I212 C214 C253 S254 L257 L282 L369	I212-M263 CarbonylContact O-C 3.32Å; I212-M263 VanDerWaalsContact O-CA 3.3Å; I212-M263 WeakPolarHBondContact O-CA 3.45Å; C214-M263 HydrophobicContact CB-CG 4.31Å; C214-M263 HydrophobicContact CB-SD 4.35Å; C253-M263 VanDerWaalsContact C-CE 3.41Å; C253-M263 HydrophobicContact CB-CE 3.36Å; C253-M263 HydrophobicContact CB-SD 3.87Å; S254-M263 VanDerWaalsContact CA-CE 3.41Å; L257-M263 HydrophobicContact CD2-CB 3.97Å; M263-L282 HydrophobicContact SD-CD2 4.41Å; M263-L369 HydrophobicContact CB-CB 4.5Å; M263-L369 PolarHBondContact N-O 2.77Å; M263-L369 PolarHBondContact O-N 2.71Å
264	V	98.9	Very high	96.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.5	166	178.7	0	0	0	0	107.8	P116 L119 M120 I212 L213 C214 V366 A367 V368	P116-V264 HydrophobicContact CB-CG1 3.84Å; L119-V264 HydrophobicContact CB-CG2 4.36Å; M120-V264 HydrophobicContact CB-CG2 4.39Å; M120-V264 HydrophobicContact CG-CB 4.09Å; M120-V264 HydrophobicContact CG-CG2 3.49Å; M120-V264 VanDerWaalsContact CG-CG2 3.49Å; I212-V264 PolarHBondContact O-N 2.79Å; L213-V264 HydrophobicContact CD1-CB 4.09Å; L213-V264 HydrophobicContact CD1-CG1 4.05Å; C214-V264 PolarHBondContact N-O 3.09Å; V264-V366 HydrophobicContact CG1-CG1 3.55Å; V264-A367 WeakPolarHBondContact CA-O 3.48Å; V264-V368 HydrophobicContact CG2-CG1 4.43Å; V264-V368 HydrophobicContact CG2-CG2 4.32Å
265	Y	98.9	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	169.8	177.8	-93	0	0	0	109	C214 V216 A250 T267 E274 V278 V279 F365 V366 A367	C214-Y265 HydrophobicContact CB-CD2 4.34Å; V216-Y265 HydrophobicContact CB-CE2 4.45Å; V216-Y265 HydrophobicContact CG1-CD2 4.47Å; V216-Y265 HydrophobicContact CG1-CE2 4Å; V216-Y265 HydrophobicContact CG2-CD2 4.45Å; V216-Y265 HydrophobicContact CG2-CE2 3.56Å; A250-Y265 HydrophobicContact CB-CD2 4.18Å; A250-Y265 HydrophobicContact CB-CE2 4.37Å; Y265-T267 HydrophobicContact CE1-CG2 3.61Å; Y265-E274 PolarHBondContact OH-O 3.47Å; Y265-V278 HydrophobicContact CE1-CB 4.47Å; Y265-V278 HydrophobicContact CE1-CG1 4.44Å; Y265-V278 HydrophobicContact CE2-CG1 3.78Å; Y265-V279 HydrophobicContact CD1-CG2 4.13Å; Y265-F365 HydrophobicContact CD1-CD1 4.11Å; Y265-F365 AromaticContact CD1-CE1 3.87Å; Y265-F365 HydrophobicContact CD1-CE1 3.87Å; Y265-F365 HydrophobicContact CE1-CD1 4.07Å; Y265-F365 AromaticContact CE1-CE1 3.98Å; Y265-F365 HydrophobicContact CE1-CE1 3.98Å; Y265-V366 CarbonylContact O-C 3.56Å; Y265-V366 WeakPolarHBondContact O-CA 3.32Å; Y265-A367 PolarHBondContact N-O 3.27Å; Y265-A367 PolarHBondContact O-N 2.93Å
266	S	98.8	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.3	175.8	58.6	0	0	0	0	113.6	C214 D215 V216 F365	C214-S266 PolarHBondContact O-N 3.34Å; D215-S266 WeakPolarHBondContact CA-O 3.49Å; D215-S266 WeakPolarHBondContact CA-OG 3.33Å; D215-S266 WeakPolarHBondContact CB-OG 3.28Å; D215-S266 PolarHBondContact OD1-OG 2.9Å; V216-S266 PolarHBondContact N-O 2.82Å; V216-S266 VanDerWaalsContact N-O 3.09Å; S266-F365 WeakPolarHBondContact CA-O 3.45Å; S266-F365 WeakPolarHBondContact CB-O 3.21Å
267	T	98.6	Very high	97.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.4	172.2	83.5	0	0	0	0	109.1	V216 C218 Y265 S269 D275 F364 F365	V216-T267 HydrophobicContact CG2-CG2 3.86Å; C218-T267 HydrophobicContact CB-CG2 4.47Å; Y265-T267 HydrophobicContact CE1-CG2 3.61Å; T267-S269 WeakPolarHBondContact OG1-CB 3.49Å; T267-S269 PolarHBondContact OG1-N 3.01Å; T267-S269 PolarHBondContact OG1-O 2.82Å; T267-D275 WeakPolarHBondContact CG2-OD1 3.31Å; T267-D275 PolarHBondContact OG1-OD1 3.45Å; T267-F364 VanDerWaalsContact O-CD2 3.31Å; T267-F364 WeakPolarHBondContact O-CD2 3.22Å; T267-F364 WeakPolarHBondContact O-CE2 3.13Å; T267-F364 WeakPolarHBondContact O-CG 3.49Å; T267-F365 PolarHBondContact N-O 3.47Å; T267-F365 PolarHBondContact O-N 3.2Å
268	C	97.5	Very high	97.6	Very high	36 Å²	36	11.9 Å²	11.9	24%	0.243	8%	0.077	C	C	.	.	S	Bend	trans	-94.1	32.8	160.5	59.3	0	0	0	0	111.8	C218 G220 G222 T223 F364	C218-C268 PolarHBondContact SG-N 2.88Å; C218-C268 VanDerWaalsContact SG-N 3.37Å; C218-C268 PolarHBondContact SG-SG 2.84Å; G220-C268 CarbonylContact C-O 3.5Å; G220-C268 WeakPolarHBondContact CA-O 3.49Å; G222-C268 VanDerWaalsContact CA-O 3.25Å; G222-C268 WeakPolarHBondContact CA-O 3.42Å; G222-C268 PolarHBondContact N-O 2.61Å; T223-C268 HydrophobicContact CG2-CB 3.7Å; C268-F364 HydrophobicContact CB-CD2 3.77Å; C268-F364 HydrophobicContact CB-CE2 3.75Å
269	S	97.7	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.063	C	C	.	.			trans	-102.4	156.3	173.6	-173.4	0	0	0	0	110.1	S219 D221 T267 N271 E274	S219-S269 PolarHBondContact OG-OG 3.39Å; D221-S269 WeakPolarHBondContact OD1-CA 3.35Å; D221-S269 WeakPolarHBondContact OD1-CB 3.46Å; D221-S269 PolarHBondContact OD1-OG 3.26Å; T267-S269 WeakPolarHBondContact OG1-CB 3.49Å; T267-S269 PolarHBondContact OG1-N 3.01Å; T267-S269 PolarHBondContact OG1-O 2.82Å; S269-N271 VanDerWaalsContact OG-CB 3.27Å; S269-N271 WeakPolarHBondContact OG-CB 3.45Å; S269-N271 PolarHBondContact OG-N 2.8Å; S269-E274 PolarHBondContact OG-OE1 3.17Å
270	M	96.7	Very high	98	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.02	5%	0.047	C	C	.	.			trans	-109.2	3.3	165.3	-63.3	176.5	-64.6	0	0	111.4	F13 Y17 I22 F31 D221 P272 L355 P356	F13-M270 HydrophobicContact CE2-CE 4.25Å; F13-M270 HydrophobicContact CZ-CE 3.85Å; Y17-M270 HydrophobicContact CE1-CB 4.04Å; I22-M270 HydrophobicContact CD1-CB 3.87Å; I22-M270 WeakPolarHBondContact CD1-O 3.43Å; F31-M270 HydrophobicContact CE2-CE 4.17Å; F31-M270 HydrophobicContact CE2-SD 3.72Å; F31-M270 HydrophobicContact CZ-CE 3.79Å; F31-M270 HydrophobicContact CZ-SD 3.88Å; D221-M270 PolarHBondContact OD1-N 2.71Å; D221-M270 VanDerWaalsContact OD1-N 3.11Å; M270-P272 WeakPolarHBondContact O-CD 3.15Å; M270-L355 HydrophobicContact SD-CD2 4.22Å; M270-P356 HydrophobicContact SD-CG 4.29Å
271	N	96.1	Very high	98	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	3%	0.027	C	C	.	.			trans	-83.2	117.7	-172	-168.7	-21.5	0	0	0	110.3	Y16 Y17 A239 S269 V273 E274 D275	Y16-N271 PolarHBondContact OH-ND2 3.4Å; Y16-N271 PolarHBondContact OH-OD1 3.12Å; Y17-N271 WeakPolarHBondContact OH-CA 3.07Å; Y17-N271 WeakPolarHBondContact OH-CB 3.11Å; Y17-N271 PolarHBondContact OH-N 2.77Å; A239-N271 VanDerWaalsContact CB-ND2 3.33Å; A239-N271 WeakPolarHBondContact CB-ND2 3.13Å; S269-N271 VanDerWaalsContact OG-CB 3.27Å; S269-N271 WeakPolarHBondContact OG-CB 3.45Å; S269-N271 PolarHBondContact OG-N 2.8Å; N271-V273 PolarHBondContact O-N 2.9Å; N271-V273 WeakPolarHBondContact OD1-CB 3.46Å; N271-V273 PolarHBondContact OD1-N 3.17Å; N271-V273 VanDerWaalsContact OD1-N 3.14Å; N271-E274 HydrophobicContact CB-CG 4.43Å; N271-E274 PolarHBondContact O-N 2.97Å; N271-D275 PolarHBondContact O-N 2.88Å
272	P	96.9	Very high	98	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.4	179.9	20.5	-32.5	0	0	0	114.4	M270 E274 D275 E276 A277 L308 W311	M270-P272 WeakPolarHBondContact O-CD 3.15Å; P272-E274 VanDerWaalsContact C-N 3.28Å; P272-E274 PolarHBondContact O-N 2.9Å; P272-D275 PolarHBondContact O-N 3.05Å; P272-E276 PolarHBondContact O-N 3.32Å; P272-A277 VanDerWaalsContact O-CB 3.27Å; P272-A277 WeakPolarHBondContact O-CB 3.37Å; P272-A277 PolarHBondContact O-N 3.33Å; P272-L308 HydrophobicContact CB-CD1 4.22Å; P272-W311 HydrophobicContact CB-CB 3.56Å; P272-W311 HydrophobicContact CB-CD2 3.9Å; P272-W311 HydrophobicContact CB-CE3 4.37Å; P272-W311 HydrophobicContact CB-CG 3.53Å; P272-W311 HydrophobicContact CG-CB 3.51Å; P272-W311 HydrophobicContact CG-CG 3.86Å
273	V	96.1	Very high	98	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32	174.7	172.9	0	0	0	0	112	A239 Y240 H243 N271 A335	A239-V273 HydrophobicContact CB-CB 4.12Å; A239-V273 HydrophobicContact CB-CG1 3.89Å; Y240-V273 HydrophobicContact CD1-CG1 4.07Å; Y240-V273 HydrophobicContact CE1-CG1 4.39Å; Y240-V273 HydrophobicContact CE1-CG2 4.5Å; H243-V273 HydrophobicContact CB-CG1 3.98Å; H243-V273 PolarHBondContact ND1-O 3.42Å; N271-V273 PolarHBondContact O-N 2.9Å; N271-V273 WeakPolarHBondContact OD1-CB 3.46Å; N271-V273 PolarHBondContact OD1-N 3.17Å; N271-V273 VanDerWaalsContact OD1-N 3.14Å; V273-A335 HydrophobicContact CG1-CB 3.88Å
274	E	98.2	Very high	97.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.7	177.9	-60.3	-176.1	-93.5	0	0	112.6	C218 S219 A239 Q246 Y265 S269 N271 P272 V278	C218-E274 WeakPolarHBondContact CA-OE2 3.26Å; C218-E274 VanDerWaalsContact CB-OE2 3.26Å; C218-E274 WeakPolarHBondContact CB-OE2 3.18Å; S219-E274 WeakPolarHBondContact CB-OE1 3.43Å; S219-E274 PolarHBondContact N-OE2 3.34Å; S219-E274 PolarHBondContact OG-OE1 3.06Å; A239-E274 HydrophobicContact CB-CG 3.79Å; Q246-E274 PolarHBondContact NE2-OE2 3.23Å; Q246-E274 VanDerWaalsContact OE1-CA 3.28Å; Y265-E274 PolarHBondContact OH-O 3.47Å; S269-E274 PolarHBondContact OG-OE1 3.17Å; N271-E274 HydrophobicContact CB-CG 4.43Å; N271-E274 PolarHBondContact O-N 2.97Å; P272-E274 VanDerWaalsContact C-N 3.28Å; P272-E274 PolarHBondContact O-N 2.9Å; E274-V278 WeakPolarHBondContact O-CG2 2.94Å
275	D	98.6	Very high	97.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-100.5	-170.5	-64.3	-23.3	0	0	0	110.4	T267 N271 P272 A277 V278 V279 R353 F365	T267-D275 WeakPolarHBondContact CG2-OD1 3.31Å; T267-D275 PolarHBondContact OG1-OD1 3.45Å; N271-D275 PolarHBondContact O-N 2.88Å; P272-D275 PolarHBondContact O-N 3.05Å; D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 2.74Å; D275-V278 WeakPolarHBondContact O-CB 3.47Å; D275-V278 PolarHBondContact O-N 3.21Å; D275-V279 PolarHBondContact O-N 3.39Å; D275-R353 IonicContact OD2-NH1 3.87Å; D275-R353 PolarHBondContact OD2-NH1 2.92Å; D275-F365 HydrophobicContact CB-CB 4.27Å; D275-F365 HydrophobicContact CB-CD1 3.63Å; D275-F365 HydrophobicContact CB-CD2 3.64Å; D275-F365 HydrophobicContact CB-CE1 3.73Å; D275-F365 HydrophobicContact CB-CE2 3.73Å; D275-F365 HydrophobicContact CB-CG 3.57Å; D275-F365 HydrophobicContact CB-CZ 3.77Å; D275-F365 VanDerWaalsContact CG-CB 3.48Å; D275-F365 WeakPolarHBondContact OD1-CB 3.49Å; D275-F365 WeakPolarHBondContact OD1-CD1 3.34Å; D275-F365 WeakPolarHBondContact OD1-CG 3.42Å
276	E	98.5	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-30.7	-176.6	-66.7	88.6	151.5	0	0	112.8	P272 V278 V279 A280 G307 L308 W311 L348 R353 F365	P272-E276 PolarHBondContact O-N 3.32Å; E276-V278 VanDerWaalsContact C-N 3.28Å; E276-V278 PolarHBondContact O-N 3.42Å; E276-V279 PolarHBondContact O-N 3.25Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.31Å; E276-A280 PolarHBondContact O-N 2.89Å; E276-G307 WeakPolarHBondContact OE1-CA 3.36Å; E276-L308 PolarHBondContact OE1-N 3.2Å; E276-W311 HydrophobicContact CB-CE3 4.27Å; E276-W311 HydrophobicContact CB-CH2 3.86Å; E276-W311 HydrophobicContact CB-CZ3 3.6Å; E276-L348 HydrophobicContact CB-CD1 4.49Å; E276-L348 HydrophobicContact CB-CD2 4.43Å; E276-R353 IonicContact OE1-CZ 3.03Å; E276-R353 IonicContact OE1-NE 2.66Å; E276-R353 PolarHBondContact OE1-NE 3.12Å; E276-R353 IonicContact OE1-NH1 2.68Å; E276-R353 IonicContact OE1-NH2 2.65Å; E276-R353 PolarHBondContact OE1-NH2 3.15Å; E276-R353 IonicContact OE2-CZ 3.29Å; E276-R353 IonicContact OE2-NE 3.7Å; E276-R353 IonicContact OE2-NH1 2.66Å; E276-R353 PolarHBondContact OE2-NH1 3.09Å; E276-R353 IonicContact OE2-NH2 3.77Å; E276-R353 PolarHBondContact OE2-NH2 2.96Å; E276-F365 HydrophobicContact CG-CE2 4.16Å; E276-F365 HydrophobicContact CG-CZ 4.22Å
277	A	98.3	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-38.8	175.2	0	0	0	0	0	111.6	P272 D275 S281 W311	P272-A277 VanDerWaalsContact O-CB 3.27Å; P272-A277 WeakPolarHBondContact O-CB 3.37Å; P272-A277 PolarHBondContact O-N 3.33Å; D275-A277 VanDerWaalsContact C-N 3.26Å; D275-A277 PolarHBondContact O-N 2.74Å; A277-S281 WeakPolarHBondContact O-CB 3.46Å; A277-S281 PolarHBondContact O-N 3.07Å; A277-S281 VanDerWaalsContact O-N 3.1Å; A277-S281 PolarHBondContact O-OG 3.4Å; A277-W311 HydrophobicContact CB-CH2 4.25Å; A277-W311 HydrophobicContact CB-CZ2 3.36Å
278	V	98.8	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68	-46.8	174.8	177.2	0	0	0	0	109.6	H243 Q246 L247 Y265 E274 D275 E276 S281 L282	H243-V278 WeakPolarHBondContact ND1-CG2 3.19Å; Q246-V278 HydrophobicContact CB-CG1 4.31Å; Q246-V278 HydrophobicContact CB-CG2 4.02Å; L247-V278 HydrophobicContact CB-CG1 4.3Å; L247-V278 HydrophobicContact CD1-CG1 4.38Å; Y265-V278 HydrophobicContact CE1-CB 4.47Å; Y265-V278 HydrophobicContact CE1-CG1 4.44Å; Y265-V278 HydrophobicContact CE2-CG1 3.78Å; E274-V278 WeakPolarHBondContact O-CG2 2.94Å; D275-V278 WeakPolarHBondContact O-CB 3.47Å; D275-V278 PolarHBondContact O-N 3.21Å; E276-V278 VanDerWaalsContact C-N 3.28Å; E276-V278 PolarHBondContact O-N 3.42Å; V278-S281 PolarHBondContact O-N 2.81Å; V278-L282 WeakPolarHBondContact O-CB 3.45Å; V278-L282 PolarHBondContact O-N 3.47Å
279	V	98.8	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-49.1	-179.8	175.8	0	0	0	0	111.9	Y265 D275 E276 S281 L282 I283 L292 L348 F365 A367 L369	Y265-V279 HydrophobicContact CD1-CG2 4.13Å; D275-V279 PolarHBondContact O-N 3.39Å; E276-V279 PolarHBondContact O-N 3.25Å; V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3Å; V279-L282 WeakPolarHBondContact O-CB 3.24Å; V279-L282 PolarHBondContact O-N 3.4Å; V279-I283 HydrophobicContact CG1-CD1 4.05Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 2.92Å; V279-L292 HydrophobicContact CG1-CD1 3.87Å; V279-L292 HydrophobicContact CG1-CD2 3.97Å; V279-L292 HydrophobicContact CG1-CG 4.14Å; V279-L348 HydrophobicContact CG1-CD2 4.3Å; V279-F365 HydrophobicContact CG2-CE1 3.92Å; V279-F365 HydrophobicContact CG2-CZ 4.08Å; V279-A367 HydrophobicContact CG2-CB 3.72Å; V279-L369 HydrophobicContact CG1-CD2 4.43Å
280	A	98.5	Very high	97	Very high	9 Å²	9	27.3 Å²	27.3	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-60.3	-45.2	178	0	0	0	0	0	111.4	E276 L282 I283 A284 P338 I346 L348	E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.31Å; E276-A280 PolarHBondContact O-N 2.89Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 2.92Å; A280-I283 PolarHBondContact O-N 2.85Å; A280-A284 WeakPolarHBondContact O-CB 3.25Å; A280-A284 PolarHBondContact O-N 2.82Å; A280-P338 HydrophobicContact CB-CG 4.2Å; A280-I346 HydrophobicContact CB-CD1 3.89Å; A280-L348 HydrophobicContact CB-CD1 4.45Å; A280-L348 HydrophobicContact CB-CD2 4.27Å
281	S	97.7	Very high	97	Very high	14 Å²	14	30.2 Å²	30.2	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-34.1	178.5	-63.4	0	0	0	0	112.7	A277 V278 V279 Q285 T334	A277-S281 WeakPolarHBondContact O-CB 3.46Å; A277-S281 PolarHBondContact O-N 3.07Å; A277-S281 VanDerWaalsContact O-N 3.1Å; A277-S281 PolarHBondContact O-OG 3.4Å; V278-S281 PolarHBondContact O-N 2.81Å; V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3Å; S281-Q285 VanDerWaalsContact O-CB 3.3Å; S281-Q285 WeakPolarHBondContact O-CB 3.46Å; S281-Q285 WeakPolarHBondContact O-CG 3.22Å; S281-Q285 PolarHBondContact O-N 2.87Å; S281-T334 WeakPolarHBondContact OG-CA 3.44Å; S281-T334 WeakPolarHBondContact OG-CB 3.43Å; S281-T334 PolarHBondContact OG-O 3.23Å
282	L	98.1	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-47.5	176.1	173.6	64.3	0	0	0	110.7	L247 A250 L251 M263 V278 V279 A280 Q285 S286 L290 L369	L247-L282 HydrophobicContact CD1-CB 3.96Å; A250-L282 HydrophobicContact CB-CD1 3.96Å; A250-L282 HydrophobicContact CB-CD2 3.81Å; A250-L282 HydrophobicContact CB-CG 4.41Å; L251-L282 HydrophobicContact CB-CD1 4.44Å; L251-L282 HydrophobicContact CD2-CD1 3.72Å; L251-L282 HydrophobicContact CG-CD1 3.81Å; M263-L282 HydrophobicContact SD-CD2 4.41Å; V278-L282 WeakPolarHBondContact O-CB 3.45Å; V278-L282 PolarHBondContact O-N 3.47Å; V279-L282 WeakPolarHBondContact O-CB 3.24Å; V279-L282 PolarHBondContact O-N 3.4Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 2.92Å; L282-Q285 PolarHBondContact O-N 2.77Å; L282-S286 VanDerWaalsContact O-CB 3.22Å; L282-S286 WeakPolarHBondContact O-CB 3.37Å; L282-S286 PolarHBondContact O-N 3.12Å; L282-S286 PolarHBondContact O-OG 2.94Å; L282-L290 HydrophobicContact CD1-CD1 3.83Å; L282-L290 HydrophobicContact CD2-CD1 3.99Å; L282-L290 HydrophobicContact CG-CD1 3.59Å; L282-L369 HydrophobicContact CD2-CD1 4.45Å; L282-L369 HydrophobicContact CD2-CD2 4.11Å
283	I	98	Very high	97.2	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-49.6	177.6	-66.6	167.9	0	0	0	110	V279 A280 Q285 S286 Q287 E288 L290 L292 I346 L369	V279-I283 HydrophobicContact CG1-CD1 4.05Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 2.92Å; A280-I283 PolarHBondContact O-N 2.85Å; I283-Q285 PolarHBondContact O-N 3.22Å; I283-S286 PolarHBondContact O-N 2.8Å; I283-S286 PolarHBondContact O-OG 2.87Å; I283-Q287 PolarHBondContact O-N 2.9Å; I283-E288 PolarHBondContact O-N 3.42Å; I283-E288 VanDerWaalsContact O-N 3.13Å; I283-L290 HydrophobicContact CG1-CB 4.4Å; I283-L292 HydrophobicContact CD1-CD1 4.16Å; I283-L292 HydrophobicContact CD1-CG 4.06Å; I283-I346 HydrophobicContact CD1-CB 4.17Å; I283-I346 HydrophobicContact CD1-CD1 4.47Å; I283-I346 HydrophobicContact CG2-CB 4.44Å; I283-I346 HydrophobicContact CG2-CG2 4Å; I283-L369 HydrophobicContact CD1-CD2 4.24Å; I283-L369 HydrophobicContact CG1-CD2 3.93Å
284	A	96	Very high	97.3	Very high	69 Å²	69	34.3 Å²	34.3	57%	0.57	18%	0.176	S	C	*	.	H	α-helix	trans	-59.4	-48.1	178.8	0	0	0	0	0	112.6	A280 S286 Q287	A280-A284 WeakPolarHBondContact O-CB 3.25Å; A280-A284 PolarHBondContact O-N 2.82Å; A284-S286 VanDerWaalsContact C-N 3.27Å; A284-S286 PolarHBondContact O-N 2.6Å; A284-Q287 PolarHBondContact O-N 3.06Å
285	Q	95.2	Very high	97.1	Very high	102 Å²	102	34.3 Å²	34.3	48%	0.477	18%	0.176	S	C	.	.	H	α-helix	trans	-72.7	-20.1	179.5	-72.4	-171.5	42.6	0	0	113.5	L251 S281 L282 I283 Q287	L251-Q285 HydrophobicContact CD1-CB 4.31Å; L251-Q285 VanDerWaalsContact CD1-OE1 3.23Å; L251-Q285 HydrophobicContact CD2-CB 3.82Å; S281-Q285 VanDerWaalsContact O-CB 3.3Å; S281-Q285 WeakPolarHBondContact O-CB 3.46Å; S281-Q285 WeakPolarHBondContact O-CG 3.22Å; S281-Q285 PolarHBondContact O-N 2.87Å; L282-Q285 PolarHBondContact O-N 2.77Å; I283-Q285 PolarHBondContact O-N 3.22Å; Q285-Q287 PolarHBondContact O-N 3.49Å
286	S	94.3	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.5	169.6	78.7	0	0	0	0	113.2	L282 I283 A284 E288 R289 L290	L282-S286 VanDerWaalsContact O-CB 3.22Å; L282-S286 WeakPolarHBondContact O-CB 3.37Å; L282-S286 PolarHBondContact O-N 3.12Å; L282-S286 PolarHBondContact O-OG 2.94Å; I283-S286 PolarHBondContact O-N 2.8Å; I283-S286 PolarHBondContact O-OG 2.87Å; A284-S286 VanDerWaalsContact C-N 3.27Å; A284-S286 PolarHBondContact O-N 2.6Å; S286-E288 VanDerWaalsContact C-N 3.31Å; S286-R289 VanDerWaalsContact O-CB 3.29Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 WeakPolarHBondContact O-CG 3.32Å; S286-R289 PolarHBondContact O-N 2.87Å; S286-R289 PolarHBondContact OG-N 3.02Å; S286-L290 PolarHBondContact OG-N 3.35Å
287	Q	93.6	Very high	96.5	Very high	125 Å²	125	45.4 Å²	45.4	58%	0.584	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	46	-172.8	-55.2	175.7	-41.7	0	0	111.3	I283 A284 Q285 R289	I283-Q287 PolarHBondContact O-N 2.9Å; A284-Q287 PolarHBondContact O-N 3.06Å; Q285-Q287 PolarHBondContact O-N 3.49Å; Q287-R289 PolarHBondContact O-N 2.8Å; Q287-R289 VanDerWaalsContact O-N 3.11Å
288	E	93	Very high	96.3	Very high	134 Å²	134	47.9 Å²	47.9	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	24.7	178.4	-62.9	164	-159.6	0	0	113.8	I283 S286 L290	I283-E288 PolarHBondContact O-N 3.42Å; I283-E288 VanDerWaalsContact O-N 3.13Å; S286-E288 VanDerWaalsContact C-N 3.31Å; E288-L290 PolarHBondContact O-N 3.22Å
289	R	96.9	Very high	96	Very high	104 Å²	104	49.3 Å²	49.3	39%	0.392	25%	0.247	S	C	.	.			trans	-85.2	2.8	174.4	-57.6	-57.3	177.8	90.2	-9.2	113.3	S286 Q287 K371 V372 E374 V375	S286-R289 VanDerWaalsContact O-CB 3.29Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 WeakPolarHBondContact O-CG 3.32Å; S286-R289 PolarHBondContact O-N 2.87Å; S286-R289 PolarHBondContact OG-N 3.02Å; Q287-R289 PolarHBondContact O-N 2.8Å; Q287-R289 VanDerWaalsContact O-N 3.11Å; R289-K371 WeakPolarHBondContact O-CA 3.37Å; R289-V372 PolarHBondContact O-N 3.25Å; R289-E374 PolarHBondContact NH1-O 3.5Å; R289-V375 HydrophobicContact CB-CG2 3.79Å
290	L	98.2	Very high	95.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.7	172.7	-63.7	171.7	0	0	0	109.3	L282 I283 S286 E288 L369 R370 K371	L282-L290 HydrophobicContact CD1-CD1 3.83Å; L282-L290 HydrophobicContact CD2-CD1 3.99Å; L282-L290 HydrophobicContact CG-CD1 3.59Å; I283-L290 HydrophobicContact CG1-CB 4.4Å; S286-L290 PolarHBondContact OG-N 3.35Å; E288-L290 PolarHBondContact O-N 3.22Å; L290-L369 HydrophobicContact CB-CD2 4.06Å; L290-L369 HydrophobicContact CD1-CD2 4.44Å; L290-R370 WeakPolarHBondContact CA-O 3.2Å; L290-K371 HydrophobicContact CD2-CB 4.03Å; L290-K371 HydrophobicContact CD2-CG 4.28Å
291	E	98.3	Very high	95.3	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.6	-179.5	-175.7	-165.5	172.8	0	0	109.7	M293 R350 L369 R370 V372	E291-M293 PolarHBondContact O-N 3.2Å; E291-R350 IonicContact OE1-NH1 3.5Å; E291-L369 CarbonylContact O-C 3.57Å; E291-L369 VanDerWaalsContact O-CA 3.26Å; E291-L369 WeakPolarHBondContact O-CA 3.11Å; E291-R370 PolarHBondContact N-O 3.34Å; E291-R370 PolarHBondContact O-N 3.08Å; E291-R370 IonicContact OE1-NH2 3.44Å; E291-R370 IonicContact OE2-CZ 3.67Å; E291-R370 IonicContact OE2-NE 3.69Å; E291-R370 IonicContact OE2-NH2 2.99Å; E291-R370 PolarHBondContact OE2-NH2 2.79Å; E291-V372 HydrophobicContact CB-CG1 4Å
292	L	98.8	Very high	95.1	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.9	171.1	-83.6	169.3	0	0	0	110.8	V279 I283 I346 H347 L348 R350 A367 L369	V279-L292 HydrophobicContact CG1-CD1 3.87Å; V279-L292 HydrophobicContact CG1-CD2 3.97Å; V279-L292 HydrophobicContact CG1-CG 4.14Å; I283-L292 HydrophobicContact CD1-CD1 4.16Å; I283-L292 HydrophobicContact CD1-CG 4.06Å; L292-I346 WeakPolarHBondContact CD1-O 3.22Å; L292-H347 WeakPolarHBondContact CD1-O 3.3Å; L292-L348 HydrophobicContact CD1-CD2 4.2Å; L292-R350 HydrophobicContact CB-CB 4.12Å; L292-R350 VanDerWaalsContact O-CD 3.26Å; L292-R350 WeakPolarHBondContact O-CD 3.5Å; L292-R350 PolarHBondContact O-NH1 2.95Å; L292-A367 HydrophobicContact CD2-CB 3.92Å; L292-L369 HydrophobicContact CD2-CD2 4.47Å; L292-L369 HydrophobicContact CD2-CG 4.05Å
293	M	98.1	Very high	95	Very high	34 Å²	34	65.3 Å²	65.3	17%	0.167	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-78.9	140.9	-179	-73.8	-66	-62.7	0	0	111.6	L262 E291 V368 R370	L262-M293 HydrophobicContact CD2-CG 4.17Å; E291-M293 PolarHBondContact O-N 3.2Å; M293-V368 HydrophobicContact CB-CB 4.26Å; M293-V368 HydrophobicContact CB-CG1 4.06Å; M293-V368 HydrophobicContact CG-CG1 4.31Å; M293-V368 PolarHBondContact N-O 2.98Å; M293-R370 HydrophobicContact CG-CB 3.77Å; M293-R370 HydrophobicContact SD-CB 3.64Å; M293-R370 HydrophobicContact SD-CG 4.41Å; M293-R370 VanDerWaalsContact SD-CZ 3.53Å
294	P	97.1	Very high	94.9	Very high	51 Å²	51	67 Å²	67	33%	0.331	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-68.4	133.6	168.1	29.8	-33.5	0	0	0	109.4	H297	P294-H297 PolarHBondContact O-CE1 2.96Å; P294-H297 VanDerWaalsContact O-CE1 3.24Å
295	T	95.4	Very high	94.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.319	C	S	.	.			trans	-135.2	5.2	-170.1	51.7	0	0	0	0	112.7	H297 M298 R304 M352 V368	T295-H297 PolarHBondContact O-N 3.26Å; T295-M298 HydrophobicContact CG2-SD 4.25Å; T295-M298 WeakPolarHBondContact O-CB 3.35Å; T295-M298 PolarHBondContact O-N 2.85Å; T295-R304 PolarHBondContact O-NH1 2.95Å; T295-R304 PolarHBondContact O-NH2 2.85Å; T295-R304 PolarHBondContact OG1-NH2 2.84Å; T295-M352 HydrophobicContact CG2-CE 3.61Å; T295-M352 WeakPolarHBondContact OG1-CE 3.02Å; T295-V368 HydrophobicContact CG2-CB 3.97Å; T295-V368 HydrophobicContact CG2-CG2 3.78Å
296	Q	90.6	Very high	95	Very high	99 Å²	99	65 Å²	65	46%	0.463	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.6	-178	-75.7	72.3	12.7	0	0	112.7	M298	Q296-M298 VanDerWaalsContact C-N 3.32Å
297	H	92.5	Very high	95.2	Very high	134 Å²	134	65.2 Å²	65.2	62%	0.62	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.9	175.4	62.6	-84	0	0	0	113.3	P294 T295	P294-H297 PolarHBondContact O-CE1 2.96Å; P294-H297 VanDerWaalsContact O-CE1 3.24Å; T295-H297 PolarHBondContact O-N 3.26Å
298	M	93.7	Very high	95.3	Very high	52 Å²	52	61 Å²	61	26%	0.256	30%	0.304	S	S	.	.	S	Bend	trans	-91.3	131.5	179.1	-57.3	-174	-179.7	0	0	110	L119 T295 Q296 R304	L119-M298 HydrophobicContact CD2-CB 3.77Å; L119-M298 HydrophobicContact CD2-CG 4.48Å; L119-M298 HydrophobicContact CD2-SD 3.88Å; T295-M298 HydrophobicContact CG2-SD 4.25Å; T295-M298 WeakPolarHBondContact O-CB 3.35Å; T295-M298 PolarHBondContact O-N 2.85Å; Q296-M298 VanDerWaalsContact C-N 3.32Å; M298-R304 PolarHBondContact O-NH1 2.74Å; M298-R304 VanDerWaalsContact O-NH1 3.08Å
299	L	92.8	Very high	95.5	Very high	30 Å²	30	58 Å²	58	16%	0.157	29%	0.289	C	S	.	.	S	Bend	trans	54.9	59.6	-178.8	-52.4	174.8	0	0	0	112.4	I115 L118 L119 K301 L302	I115-L299 HydrophobicContact CG2-CD1 3.93Å; L118-L299 HydrophobicContact CB-CD1 4.21Å; L118-L299 HydrophobicContact CB-CD2 4.21Å; L118-L299 HydrophobicContact CD1-CD1 4.39Å; L118-L299 HydrophobicContact CD1-CD2 3.98Å; L119-L299 HydrophobicContact CD2-CD1 4.02Å; L119-L299 HydrophobicContact CD2-CG 4.39Å; L119-L299 HydrophobicContact CG-CD1 4.28Å; L299-K301 PolarHBondContact O-N 3.11Å; L299-L302 HydrophobicContact CB-CB 3.99Å; L299-L302 HydrophobicContact CB-CD2 4.47Å; L299-L302 HydrophobicContact CD1-CD2 4.27Å; L299-L302 VanDerWaalsContact O-CB 3.26Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.95Å
300	P	91.4	Very high	95.4	Very high	114 Å²	114	56.1 Å²	56.1	74%	0.74	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.7	-173	26.2	-36.5	0	0	0	114.7
301	K	92.2	Very high	95.2	Very high	144 Å²	144	56 Å²	56	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.9	176.4	-63.9	-177.1	-177.2	177.2	0	113.5	S67 L299 Q359	S67-K301 VanDerWaalsContact O-CB 3.23Å; S67-K301 WeakPolarHBondContact O-CB 3.29Å; S67-K301 WeakPolarHBondContact O-CD 3.46Å; L299-K301 PolarHBondContact O-N 3.11Å; K301-Q359 PolarHBondContact O-NE2 2.89Å
302	L	94	Very high	94.8	Very high	14 Å²	14	54.5 Å²	54.5	7%	0.073	28%	0.281	C	S	.	.			trans	-81.5	116.9	174.7	176.5	67.4	0	0	0	109.3	L68 I115 L299 R304 I354	L68-L302 HydrophobicContact CD2-CB 4.33Å; L68-L302 HydrophobicContact CD2-CD1 3.58Å; I115-L302 HydrophobicContact CD1-CD1 3.63Å; I115-L302 HydrophobicContact CD1-CD2 3.89Å; I115-L302 HydrophobicContact CD1-CG 4.45Å; I115-L302 HydrophobicContact CG1-CD2 4.47Å; I115-L302 HydrophobicContact CG2-CD2 4.17Å; L299-L302 HydrophobicContact CB-CB 3.99Å; L299-L302 HydrophobicContact CB-CD2 4.47Å; L299-L302 HydrophobicContact CD1-CD2 4.27Å; L299-L302 VanDerWaalsContact O-CB 3.26Å; L299-L302 WeakPolarHBondContact O-CB 3.32Å; L299-L302 PolarHBondContact O-N 2.95Å; L302-R304 HydrophobicContact CG-CB 4.46Å; L302-I354 HydrophobicContact CD1-CG1 4.12Å; L302-I354 HydrophobicContact CD2-CG1 4.37Å
303	I	95.5	Very high	94	Very high	87 Å²	87	54.4 Å²	54.4	45%	0.446	28%	0.28	S	S	.	.			trans	-78.7	125.1	168	-55.2	177.7	0	0	0	107.5	H358 Q359	I303-H358 HydrophobicContact CB-CB 4.24Å; I303-H358 HydrophobicContact CG2-CB 3.82Å; I303-Q359 HydrophobicContact CB-CG 3.97Å; I303-Q359 HydrophobicContact CD1-CG 3.82Å; I303-Q359 HydrophobicContact CG1-CG 3.98Å
304	R	95.3	Very high	92.8	Very high	43 Å²	43	57.9 Å²	57.9	16%	0.162	29%	0.292	C	S	.	.			trans	-149.2	153.9	-178.8	66.8	-161.2	-162.5	-157.9	6.4	109.8	T295 M298 L302 R353	T295-R304 PolarHBondContact O-NH1 2.95Å; T295-R304 PolarHBondContact O-NH2 2.85Å; T295-R304 PolarHBondContact OG1-NH2 2.84Å; M298-R304 PolarHBondContact O-NH1 2.74Å; M298-R304 VanDerWaalsContact O-NH1 3.08Å; L302-R304 HydrophobicContact CG-CB 4.46Å; R304-R353 CarbonylContact C-O 3.44Å; R304-R353 VanDerWaalsContact CA-O 3.26Å; R304-R353 WeakPolarHBondContact CA-O 3.39Å; R304-R353 WeakPolarHBondContact CB-O 3.13Å
305	C	97.1	Very high	91.2	Very high	36 Å²	36	60.5 Å²	60.5	24%	0.243	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	147.8	168.2	-57.2	0	0	0	0	109.8	R353 H358	C305-R353 HydrophobicContact CB-CB 4.15Å; C305-R353 PolarHBondContact N-O 2.93Å; C305-R353 PolarHBondContact O-N 3.37Å; C305-H358 VanDerWaalsContact SG-CE1 3.57Å
306	D	96.9	Very high	89.5	Confident	92 Å²	92	63.4 Å²	63.4	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	156.2	170.7	-65.4	-18.8	0	0	0	110.9	E349	D306-E349 HydrophobicContact CB-CB 4.23Å; D306-E349 WeakPolarHBondContact CB-O 3.35Å
307	G	97.2	Very high	88	Confident	6 Å²	6	66 Å²	66	6%	0.062	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62.3	153.8	174.2	0	0	0	0	0	113	E276 L348 E349 C351	E276-G307 WeakPolarHBondContact OE1-CA 3.36Å; G307-L348 WeakPolarHBondContact CA-O 3.45Å; G307-E349 PolarHBondContact N-O 2.87Å; G307-C351 PolarHBondContact N-O 2.79Å
308	L	97.3	Very high	86.2	Confident	37 Å²	37	64.2 Å²	64.2	19%	0.194	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-84.5	135.1	-178.2	-56.4	-179.2	0	0	0	111.7	I22 P272 E276 T310 W311 L348	I22-L308 HydrophobicContact CG2-CD1 3.7Å; P272-L308 HydrophobicContact CB-CD1 4.22Å; E276-L308 PolarHBondContact OE1-N 3.2Å; L308-T310 VanDerWaalsContact C-N 3.35Å; L308-W311 HydrophobicContact CB-CE3 4.38Å; L308-L348 WeakPolarHBondContact O-CD1 3.29Å
309	F	96.4	Very high	84.3	Confident	69 Å²	69	66.9 Å²	66.9	30%	0.303	34%	0.344	S	S	.	.	S	Bend	trans	-78.4	-18.2	168.2	-63.9	-61.6	0	0	0	113.6	L340 A343 R344 L348 E349	F309-L340 HydrophobicContact CB-CD2 4.08Å; F309-A343 HydrophobicContact CB-CB 4.15Å; F309-A343 HydrophobicContact CD1-CB 3.79Å; F309-A343 HydrophobicContact CG-CB 4.45Å; F309-R344 HydrophobicContact CD1-CG 4.43Å; F309-R344 HydrophobicContact CE1-CG 4.11Å; F309-R344 HydrophobicContact CZ-CG 4.43Å; F309-L348 HydrophobicContact CD1-CB 4.14Å; F309-L348 HydrophobicContact CE1-CB 4.35Å; F309-E349 HydrophobicContact CE1-CB 4.29Å; F309-E349 WeakPolarHBondContact CE1-OE2 3.44Å; F309-E349 HydrophobicContact CE2-CB 4.35Å; F309-E349 HydrophobicContact CZ-CB 3.72Å; F309-E349 HydrophobicContact CZ-CG 4.23Å; F309-E349 WeakPolarHBondContact CZ-OE2 3.45Å
310	T	95.3	Very high	82.5	Confident	66 Å²	66	70.3 Å²	70.3	41%	0.405	36%	0.355	S	S	.	.			trans	-155.7	153.3	-178.4	-166.6	0	0	0	0	111.9	L308	L308-T310 VanDerWaalsContact C-N 3.35Å
311	W	94.1	Very high	80.8	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	33%	0.331	C	S	.	.			trans	-158.7	164.2	-179.8	56.8	91	0	0	0	111.8	P272 E276 A277 L308 F318 A335 P337 L348	P272-W311 HydrophobicContact CB-CB 3.56Å; P272-W311 HydrophobicContact CB-CD2 3.9Å; P272-W311 HydrophobicContact CB-CE3 4.37Å; P272-W311 HydrophobicContact CB-CG 3.53Å; P272-W311 HydrophobicContact CG-CB 3.51Å; P272-W311 HydrophobicContact CG-CG 3.86Å; E276-W311 HydrophobicContact CB-CE3 4.27Å; E276-W311 HydrophobicContact CB-CH2 3.86Å; E276-W311 HydrophobicContact CB-CZ3 3.6Å; A277-W311 HydrophobicContact CB-CH2 4.25Å; A277-W311 HydrophobicContact CB-CZ2 3.36Å; L308-W311 HydrophobicContact CB-CE3 4.38Å; W311-F318 VanDerWaalsContact C-CD1 3.5Å; W311-F318 WeakPolarHBondContact O-CD1 3.38Å; W311-A335 PolarHBondContact NE1-O 2.57Å; W311-P337 HydrophobicContact CD2-CB 3.83Å; W311-P337 HydrophobicContact CD2-CG 4.48Å; W311-P337 HydrophobicContact CE3-CB 3.94Å; W311-P337 HydrophobicContact CG-CB 4.48Å; W311-P337 HydrophobicContact CH2-CB 3.99Å; W311-P337 HydrophobicContact CZ2-CB 3.86Å; W311-P337 HydrophobicContact CZ3-CB 4.02Å; W311-P337 WeakPolarHBondContact O-CG 3.5Å; W311-L348 HydrophobicContact CH2-CD1 4.43Å; W311-L348 HydrophobicContact CZ3-CD1 4.14Å
312	K	89.3	Confident	79	Confident	33 Å²	33	67.7 Å²	67.7	14%	0.143	34%	0.338	C	S	.	.			trans	-91.1	106.2	175.7	-61.3	175	179.6	165.4	0	109.6	A19 Q20 R314 F318	A19-K312 HydrophobicContact CB-CD 4.46Å; A19-K312 VanDerWaalsContact O-CE 3.31Å; A19-K312 WeakPolarHBondContact O-CE 3.1Å; A19-K312 PolarHBondContact O-NZ 2.8Å; Q20-K312 PolarHBondContact NE2-O 2.74Å; K312-R314 PolarHBondContact O-N 3.13Å; K312-F318 HydrophobicContact CB-CD1 4.45Å; K312-F318 HydrophobicContact CB-CE1 4.4Å; K312-F318 HydrophobicContact CD-CE1 4.44Å; K312-F318 HydrophobicContact CD-CE2 4.02Å; K312-F318 HydrophobicContact CD-CZ 3.98Å; K312-F318 HydrophobicContact CG-CD1 3.67Å; K312-F318 HydrophobicContact CG-CD2 3.9Å; K312-F318 HydrophobicContact CG-CE1 3.38Å; K312-F318 HydrophobicContact CG-CE2 3.65Å; K312-F318 HydrophobicContact CG-CG 3.91Å; K312-F318 HydrophobicContact CG-CZ 3.37Å
313	A	81.4	Confident	77	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-64.4	-22.3	176.1	0	0	0	0	0	112.8	Y240 F336	Y240-A313 WeakPolarHBondContact CE1-O 3.28Å; Y240-A313 VanDerWaalsContact CZ-O 3.3Å; Y240-A313 PolarHBondContact OH-O 3.45Å; A313-F336 HydrophobicContact CB-CD1 3.61Å; A313-F336 HydrophobicContact CB-CD2 4.47Å; A313-F336 HydrophobicContact CB-CE1 3.79Å; A313-F336 HydrophobicContact CB-CG 3.98Å; A313-F336 HydrophobicContact CB-CZ 4.3Å
314	R	73.7	Confident	74.9	Confident	107 Å²	107	73.8 Å²	73.8	40%	0.404	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-133	149.8	175.8	-176.4	178.8	171.8	-168.2	-0.9	110.2	K312 G316 R317 I331	K312-R314 PolarHBondContact O-N 3.13Å; R314-G316 PolarHBondContact O-N 3.13Å; R314-R317 PolarHBondContact O-N 3.07Å; R314-R317 VanDerWaalsContact O-N 3.08Å; R314-I331 HydrophobicContact CB-CD1 3.88Å; R314-I331 HydrophobicContact CG-CD1 4.25Å
315	E	64	Low	72.9	Confident	107 Å²	107	81 Å²	81	50%	0.5	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45	117.4	171.2	-70.7	-178.9	179.2	0	0	111.4	Y16 R317	Y16-E315 HydrophobicContact CD2-CG 4.21Å; E315-R317 PolarHBondContact O-N 2.57Å
316	G	58.9	Low	70.7	Confident	60 Å²	60	86.7 Å²	86.7	62%	0.619	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-4.2	175.6	0	0	0	0	0	117.6	R314	R314-G316 PolarHBondContact O-N 3.13Å
317	R	59.8	Low	68.6	Low	155 Å²	155	84.2 Å²	84.2	59%	0.585	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-136.2	134.3	-176.8	-65.1	-173.7	179.9	178.3	0.5	113.9	R314 E315	R314-R317 PolarHBondContact O-N 3.07Å; R314-R317 VanDerWaalsContact O-N 3.08Å; E315-R317 PolarHBondContact O-N 2.57Å
318	F	53.2	Low	66.5	Low	96 Å²	96	86.6 Å²	86.6	42%	0.421	42%	0.424	S	S	.	.			trans	-92.7	-26.2	171.9	-69	-85.2	0	0	0	113.4	W311 K312 R320	W311-F318 VanDerWaalsContact C-CD1 3.5Å; W311-F318 WeakPolarHBondContact O-CD1 3.38Å; K312-F318 HydrophobicContact CB-CD1 4.45Å; K312-F318 HydrophobicContact CB-CE1 4.4Å; K312-F318 HydrophobicContact CD-CE1 4.44Å; K312-F318 HydrophobicContact CD-CE2 4.02Å; K312-F318 HydrophobicContact CD-CZ 3.98Å; K312-F318 HydrophobicContact CG-CD1 3.67Å; K312-F318 HydrophobicContact CG-CD2 3.9Å; K312-F318 HydrophobicContact CG-CE1 3.38Å; K312-F318 HydrophobicContact CG-CE2 3.65Å; K312-F318 HydrophobicContact CG-CG 3.91Å; K312-F318 HydrophobicContact CG-CZ 3.37Å; F318-R320 PolarHBondContact O-N 2.65Å
319	V	55	Low	64.7	Low	107 Å²	107	91.7 Å²	91.7	65%	0.648	45%	0.448	S	S	*	.			trans	-79.2	125.2	-161.3	-167.7	0	0	0	0	111	P321	V319-P321 WeakPolarHBondContact O-CD 3.36Å
320	R	55	Low	63.5	Low	103 Å²	103	92.5 Å²	92.5	39%	0.389	46%	0.458	S	S	.	.			trans	-56.3	117	164.8	-71.7	179.4	-156.1	-130.9	7.7	107.8	F318 H322 N333 F336 P337	F318-R320 PolarHBondContact O-N 2.65Å; R320-H322 PolarHBondContact O-N 3.17Å; R320-H322 PolarHBondContact O-ND1 3.03Å; R320-N333 PolarHBondContact NH1-O 3.2Å; R320-F336 HydrophobicContact CB-CD1 4.46Å; R320-F336 HydrophobicContact CG-CB 3.54Å; R320-F336 HydrophobicContact CG-CD1 3.78Å; R320-F336 HydrophobicContact CG-CD2 4.21Å; R320-F336 HydrophobicContact CG-CG 3.59Å; R320-P337 PolarHBondContact NE-O 3.13Å; R320-P337 VanDerWaalsContact NH2-C 3.31Å; R320-P337 PolarHBondContact NH2-O 3.05Å
321	P	54.6	Low	62.9	Low	37 Å²	37	89.8 Å²	89.8	24%	0.24	44%	0.441	C	S	.	.			trans	-61	113.8	-179.2	22.5	-29.5	0	0	0	108.6	V319 N323 I324 L327	V319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-N323 PolarHBondContact O-N 3.16Å; P321-I324 HydrophobicContact CB-CB 3.86Å; P321-I324 HydrophobicContact CB-CD1 4.03Å; P321-I324 HydrophobicContact CB-CG1 3.94Å; P321-L327 HydrophobicContact CB-CD1 3.99Å; P321-L327 HydrophobicContact CG-CB 3.96Å; P321-L327 HydrophobicContact CG-CD1 3.98Å
322	H	55.3	Low	62.6	Low	166 Å²	166	90.4 Å²	90.4	77%	0.769	45%	0.445	S	S	*	.	S	Bend	trans	-65.2	-24.8	-179.1	-75.9	34.8	0	0	0	111.6	R320	R320-H322 PolarHBondContact O-N 3.17Å; R320-H322 PolarHBondContact O-ND1 3.03Å
323	N	52	Low	62.5	Low	157 Å²	157	93.6 Å²	93.6	84%	0.84	46%	0.464	S	S	*	.	S	Bend	trans	-140.9	16.5	-167.8	-76.2	-22.7	0	0	0	115.6	P321	P321-N323 PolarHBondContact O-N 3.16Å
324	I	52.2	Low	63.1	Low	71 Å²	71	95.3 Å²	95.3	36%	0.364	47%	0.474	S	S	.	.			trans	-107.9	87.4	-176.5	-48.4	174.5	0	0	0	109.7	P321 E326 L327 S328	P321-I324 HydrophobicContact CB-CB 3.86Å; P321-I324 HydrophobicContact CB-CD1 4.03Å; P321-I324 HydrophobicContact CB-CG1 3.94Å; I324-E326 HydrophobicContact CG2-CB 3.96Å; I324-E326 PolarHBondContact O-N 3.21Å; I324-E326 VanDerWaalsContact O-N 3.16Å; I324-L327 HydrophobicContact CB-CB 4.17Å; I324-L327 HydrophobicContact CB-CD1 3.88Å; I324-L327 HydrophobicContact CB-CG 4.05Å; I324-L327 HydrophobicContact CD1-CD1 3.6Å; I324-L327 HydrophobicContact CG1-CD1 4.3Å; I324-L327 HydrophobicContact CG2-CB 4.03Å; I324-L327 HydrophobicContact CG2-CD1 3.86Å; I324-L327 HydrophobicContact CG2-CG 3.61Å; I324-L327 PolarHBondContact O-N 3.48Å; I324-S328 PolarHBondContact O-N 3.49Å
325	Y	51.7	Low	64	Low	196 Å²	196	90.2 Å²	90.2	77%	0.769	46%	0.455	S	S	*	.	H	α-helix	trans	-52.8	-30.5	173.3	-143	-88.4	0	0	0	111.9	S328	Y325-S328 PolarHBondContact O-OG 3.28Å; Y325-S328 VanDerWaalsContact O-OG 3.06Å
326	E	51.6	Low	65.3	Low	154 Å²	154	85.9 Å²	85.9	72%	0.72	43%	0.434	S	S	*	.	H	α-helix	trans	-69	-30.1	176.9	-62.1	177.7	170.5	0	0	113.4	I324	I324-E326 HydrophobicContact CG2-CB 3.96Å; I324-E326 PolarHBondContact O-N 3.21Å; I324-E326 VanDerWaalsContact O-N 3.16Å
327	L	52.3	Low	67	Low	41 Å²	41	83.6 Å²	83.6	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-85.9	-33.1	-175.7	-74.6	175.4	0	0	0	112.9	P321 I324 Q329 V330 I331	P321-L327 HydrophobicContact CB-CD1 3.99Å; P321-L327 HydrophobicContact CG-CB 3.96Å; P321-L327 HydrophobicContact CG-CD1 3.98Å; I324-L327 HydrophobicContact CB-CB 4.17Å; I324-L327 HydrophobicContact CB-CD1 3.88Å; I324-L327 HydrophobicContact CB-CG 4.05Å; I324-L327 HydrophobicContact CD1-CD1 3.6Å; I324-L327 HydrophobicContact CG1-CD1 4.3Å; I324-L327 HydrophobicContact CG2-CB 4.03Å; I324-L327 HydrophobicContact CG2-CD1 3.86Å; I324-L327 HydrophobicContact CG2-CG 3.61Å; I324-L327 PolarHBondContact O-N 3.48Å; L327-Q329 PolarHBondContact O-N 2.84Å; L327-V330 PolarHBondContact O-N 2.87Å; L327-I331 PolarHBondContact O-N 3.02Å
328	S	54.1	Low	68.6	Low	55 Å²	55	77.2 Å²	77.2	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-19.8	174.7	60.7	0	0	0	0	112.1	I324 Y325 V330	I324-S328 PolarHBondContact O-N 3.49Å; Y325-S328 PolarHBondContact O-OG 3.28Å; Y325-S328 VanDerWaalsContact O-OG 3.06Å; S328-V330 VanDerWaalsContact C-N 3.33Å
329	Q	59.6	Low	70.6	Confident	145 Å²	145	76.7 Å²	76.7	68%	0.678	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.3	172.1	-66.7	-173.6	-1.2	0	0	112.7	L327	L327-Q329 PolarHBondContact O-N 2.84Å
330	V	71.1	Confident	72.5	Confident	86 Å²	86	75.6 Å²	75.6	52%	0.521	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-49.5	-176.1	-173.7	0	0	0	0	111.9	L327 S328	L327-V330 PolarHBondContact O-N 2.87Å; S328-V330 VanDerWaalsContact C-N 3.33Å
331	I	83.2	Confident	74.5	Confident	8 Å²	8	78 Å²	78	4%	0.041	39%	0.394	C	S	.	.	S	Bend	trans	-107.4	120.5	-174.6	-54.2	179.2	0	0	0	108.9	Y240 R314 L327 A335 F336	Y240-I331 HydrophobicContact CD1-CB 4.46Å; Y240-I331 HydrophobicContact CD1-CG1 4.26Å; Y240-I331 HydrophobicContact CD1-CG2 3.87Å; Y240-I331 HydrophobicContact CD2-CG1 4.09Å; Y240-I331 HydrophobicContact CE1-CB 4.41Å; Y240-I331 HydrophobicContact CE1-CD1 4.07Å; Y240-I331 HydrophobicContact CE1-CG1 3.94Å; Y240-I331 HydrophobicContact CE1-CG2 3.75Å; Y240-I331 HydrophobicContact CE2-CD1 4.04Å; Y240-I331 HydrophobicContact CE2-CG1 3.76Å; Y240-I331 HydrophobicContact CG-CG1 4.33Å; Y240-I331 WeakPolarHBondContact OH-CD1 3.49Å; R314-I331 HydrophobicContact CB-CD1 3.88Å; R314-I331 HydrophobicContact CG-CD1 4.25Å; L327-I331 PolarHBondContact O-N 3.02Å; I331-A335 HydrophobicContact CG2-CB 3.92Å; I331-F336 HydrophobicContact CB-CE2 4.17Å; I331-F336 HydrophobicContact CB-CZ 4.37Å; I331-F336 HydrophobicContact CG2-CD2 4.33Å; I331-F336 HydrophobicContact CG2-CE2 3.59Å; I331-F336 HydrophobicContact CG2-CZ 3.95Å
332	P	86.8	Confident	76.4	Confident	14 Å²	14	78.6 Å²	78.6	9%	0.091	40%	0.398	C	S	.	.			trans	-64.6	141.9	177.5	27	-32.2	0	0	0	111.1	K244 T334 A335	K244-P332 HydrophobicContact CG-CB 4.22Å; K244-P332 HydrophobicContact CG-CG 4.08Å; P332-T334 PolarHBondContact O-N 2.77Å; P332-A335 HydrophobicContact CG-CB 3.95Å; P332-A335 WeakPolarHBondContact O-CB 3.47Å; P332-A335 PolarHBondContact O-N 2.68Å
333	N	88	Confident	78.4	Confident	101 Å²	101	70.7 Å²	70.7	54%	0.54	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.3	178	-74.3	-20.3	0	0	0	113.1	R320 A335 F336	R320-N333 PolarHBondContact NH1-O 3.2Å; N333-A335 VanDerWaalsContact C-N 3.28Å; N333-A335 PolarHBondContact O-N 2.66Å; N333-F336 PolarHBondContact O-N 2.57Å
334	T	93.2	Very high	80.6	Confident	36 Å²	36	70 Å²	70	22%	0.221	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.2	-14.6	176.7	49.8	0	0	0	0	114	H243 L247 S281 P332 F336	H243-T334 PolarHBondContact CD2-OG1 2.99Å; H243-T334 VanDerWaalsContact CE1-C 3.49Å; H243-T334 PolarHBondContact CE1-O 2.83Å; H243-T334 VanDerWaalsContact NE2-C 3.28Å; H243-T334 WeakPolarHBondContact NE2-CB 3.23Å; H243-T334 PolarHBondContact NE2-O 3.45Å; H243-T334 PolarHBondContact NE2-OG1 3.44Å; L247-T334 HydrophobicContact CD2-CG2 3.98Å; S281-T334 WeakPolarHBondContact OG-CA 3.44Å; S281-T334 WeakPolarHBondContact OG-CB 3.43Å; S281-T334 PolarHBondContact OG-O 3.23Å; P332-T334 PolarHBondContact O-N 2.77Å; T334-F336 VanDerWaalsContact C-N 3.31Å
335	A	92.1	Very high	82.8	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-79.7	-13.3	174.9	0	0	0	0	0	113.3	V273 W311 I331 P332 N333	V273-A335 HydrophobicContact CG1-CB 3.88Å; W311-A335 PolarHBondContact NE1-O 2.57Å; I331-A335 HydrophobicContact CG2-CB 3.92Å; P332-A335 HydrophobicContact CG-CB 3.95Å; P332-A335 WeakPolarHBondContact O-CB 3.47Å; P332-A335 PolarHBondContact O-N 2.68Å; N333-A335 VanDerWaalsContact C-N 3.28Å; N333-A335 PolarHBondContact O-N 2.66Å
336	F	92.4	Very high	85	Confident	15 Å²	15	64.9 Å²	64.9	7%	0.066	33%	0.329	C	S	.	.	S	Bend	trans	-86.4	146	179.8	-67.8	-93.2	0	0	0	111.3	A313 R320 I331 N333 T334	A313-F336 HydrophobicContact CB-CD1 3.61Å; A313-F336 HydrophobicContact CB-CD2 4.47Å; A313-F336 HydrophobicContact CB-CE1 3.79Å; A313-F336 HydrophobicContact CB-CG 3.98Å; A313-F336 HydrophobicContact CB-CZ 4.3Å; R320-F336 HydrophobicContact CB-CD1 4.46Å; R320-F336 HydrophobicContact CG-CB 3.54Å; R320-F336 HydrophobicContact CG-CD1 3.78Å; R320-F336 HydrophobicContact CG-CD2 4.21Å; R320-F336 HydrophobicContact CG-CG 3.59Å; I331-F336 HydrophobicContact CB-CE2 4.17Å; I331-F336 HydrophobicContact CB-CZ 4.37Å; I331-F336 HydrophobicContact CG2-CD2 4.33Å; I331-F336 HydrophobicContact CG2-CE2 3.59Å; I331-F336 HydrophobicContact CG2-CZ 3.95Å; N333-F336 PolarHBondContact O-N 2.57Å; T334-F336 VanDerWaalsContact C-N 3.31Å
337	P	94.1	Very high	87.2	Confident	13 Å²	13	60.8 Å²	60.8	8%	0.084	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.5	143	178.1	28.3	-36.2	0	0	0	111.4	W311 R320	W311-P337 HydrophobicContact CD2-CB 3.83Å; W311-P337 HydrophobicContact CD2-CG 4.48Å; W311-P337 HydrophobicContact CE3-CB 3.94Å; W311-P337 HydrophobicContact CG-CB 4.48Å; W311-P337 HydrophobicContact CH2-CB 3.99Å; W311-P337 HydrophobicContact CZ2-CB 3.86Å; W311-P337 HydrophobicContact CZ3-CB 4.02Å; W311-P337 WeakPolarHBondContact O-CG 3.5Å; R320-P337 PolarHBondContact NE-O 3.13Å; R320-P337 VanDerWaalsContact NH2-C 3.31Å; R320-P337 PolarHBondContact NH2-O 3.05Å
338	P	94.1	Very high	89.4	Confident	21 Å²	21	58.8 Å²	58.8	14%	0.136	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-59.7	168.3	164.8	29.4	-33.4	0	0	0	110.6	A280 T342 A343 L348	A280-P338 HydrophobicContact CB-CG 4.2Å; P338-T342 HydrophobicContact CB-CG2 3.88Å; P338-A343 HydrophobicContact CG-CB 4.03Å; P338-L348 HydrophobicContact CG-CD1 4.2Å
339	D	93.8	Very high	91.5	Very high	84 Å²	84	58.3 Å²	58.3	45%	0.449	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-62.9	161.6	165.9	64.7	87.3	0	0	0	110.4	E341 T342 A343	D339-E341 VanDerWaalsContact C-N 3.26Å; D339-E341 PolarHBondContact O-N 3.49Å; D339-E341 WeakPolarHBondContact OD1-CA 3.41Å; D339-E341 WeakPolarHBondContact OD1-CB 3.47Å; D339-E341 PolarHBondContact OD1-N 3.42Å; D339-T342 VanDerWaalsContact CG-OG1 3.29Å; D339-T342 PolarHBondContact O-N 2.85Å; D339-T342 PolarHBondContact OD1-N 3.45Å; D339-T342 PolarHBondContact OD1-OG1 3.34Å; D339-T342 WeakPolarHBondContact OD2-CB 3.37Å; D339-T342 PolarHBondContact OD2-OG1 3.02Å; D339-A343 VanDerWaalsContact O-CB 3.32Å; D339-A343 WeakPolarHBondContact O-CB 3.5Å; D339-A343 PolarHBondContact O-N 2.77Å
340	L	95.1	Very high	93.3	Very high	85 Å²	85	53.5 Å²	53.5	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-23	-173.8	-68.2	176.7	0	0	0	113.5	F309 R344	F309-L340 HydrophobicContact CB-CD2 4.08Å; L340-R344 VanDerWaalsContact O-CG 3.25Å; L340-R344 WeakPolarHBondContact O-CG 3.44Å; L340-R344 PolarHBondContact O-N 3.17Å
341	E	96.7	Very high	94.7	Very high	152 Å²	152	49.5 Å²	49.5	71%	0.71	24%	0.242	S	C	*	.	H	α-helix	trans	-74.5	-52.4	178.2	-63.1	177.6	164.4	0	0	109	D339 A343 R344 E345	D339-E341 VanDerWaalsContact C-N 3.26Å; D339-E341 PolarHBondContact O-N 3.49Å; D339-E341 WeakPolarHBondContact OD1-CA 3.41Å; D339-E341 WeakPolarHBondContact OD1-CB 3.47Å; D339-E341 PolarHBondContact OD1-N 3.42Å; E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 PolarHBondContact O-N 3.33Å; E341-R344 PolarHBondContact O-N 3.35Å; E341-R344 VanDerWaalsContact O-N 3.1Å; E341-E345 PolarHBondContact O-N 2.95Å
342	T	96.4	Very high	95.4	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-55.5	-43.6	173.1	-59.1	0	0	0	0	111.4	P338 D339 R344 E345 I346	P338-T342 HydrophobicContact CB-CG2 3.88Å; D339-T342 VanDerWaalsContact CG-OG1 3.29Å; D339-T342 PolarHBondContact O-N 2.85Å; D339-T342 PolarHBondContact OD1-N 3.45Å; D339-T342 PolarHBondContact OD1-OG1 3.34Å; D339-T342 WeakPolarHBondContact OD2-CB 3.37Å; D339-T342 PolarHBondContact OD2-OG1 3.02Å; T342-R344 VanDerWaalsContact C-N 3.27Å; T342-R344 PolarHBondContact O-N 2.81Å; T342-E345 PolarHBondContact O-N 3.32Å; T342-I346 HydrophobicContact CG2-CG2 4.46Å; T342-I346 WeakPolarHBondContact O-CG1 3.49Å; T342-I346 PolarHBondContact O-N 2.66Å
343	A	97.3	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-36.1	179.8	0	0	0	0	0	113.1	F309 P338 D339 E341 L348	F309-A343 HydrophobicContact CB-CB 4.15Å; F309-A343 HydrophobicContact CD1-CB 3.79Å; F309-A343 HydrophobicContact CG-CB 4.45Å; P338-A343 HydrophobicContact CG-CB 4.03Å; D339-A343 VanDerWaalsContact O-CB 3.32Å; D339-A343 WeakPolarHBondContact O-CB 3.5Å; D339-A343 PolarHBondContact O-N 2.77Å; E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 PolarHBondContact O-N 3.33Å; A343-L348 HydrophobicContact CB-CD1 4.05Å; A343-L348 PolarHBondContact O-N 3.44Å; A343-L348 VanDerWaalsContact O-N 3.15Å
344	R	97.9	Very high	96.3	Very high	143 Å²	143	44.1 Å²	44.1	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-78.2	-39.5	176.6	-71.8	172.7	-171.3	137.5	-1.2	112	F309 L340 E341 T342 I346 H347	F309-R344 HydrophobicContact CD1-CG 4.43Å; F309-R344 HydrophobicContact CE1-CG 4.11Å; F309-R344 HydrophobicContact CZ-CG 4.43Å; L340-R344 VanDerWaalsContact O-CG 3.25Å; L340-R344 WeakPolarHBondContact O-CG 3.44Å; L340-R344 PolarHBondContact O-N 3.17Å; E341-R344 PolarHBondContact O-N 3.35Å; E341-R344 VanDerWaalsContact O-N 3.1Å; T342-R344 VanDerWaalsContact C-N 3.27Å; T342-R344 PolarHBondContact O-N 2.81Å; R344-I346 VanDerWaalsContact C-N 3.35Å; R344-H347 PolarHBondContact O-N 2.68Å; R344-H347 VanDerWaalsContact O-N 3.11Å
345	E	97.6	Very high	96.6	Very high	133 Å²	133	42.5 Å²	42.5	62%	0.621	20%	0.202	S	C	*	.	H	α-helix	trans	-61.6	-43.2	178.9	-177.6	171.8	-161.5	0	0	111.7	E341 T342 H347	E341-E345 PolarHBondContact O-N 2.95Å; T342-E345 PolarHBondContact O-N 3.32Å; E345-H347 PolarHBondContact O-CD2 3.07Å; E345-H347 PolarHBondContact O-N 3.31Å
346	I	97.9	Very high	96.8	Very high	26 Å²	26	42.5 Å²	42.5	13%	0.133	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.3	176.8	73.5	-175.1	0	0	0	113.4	A280 I283 L292 T342 R344 L348	A280-I346 HydrophobicContact CB-CD1 3.89Å; I283-I346 HydrophobicContact CD1-CB 4.17Å; I283-I346 HydrophobicContact CD1-CD1 4.47Å; I283-I346 HydrophobicContact CG2-CB 4.44Å; I283-I346 HydrophobicContact CG2-CG2 4Å; L292-I346 WeakPolarHBondContact CD1-O 3.22Å; T342-I346 HydrophobicContact CG2-CG2 4.46Å; T342-I346 WeakPolarHBondContact O-CG1 3.49Å; T342-I346 PolarHBondContact O-N 2.66Å; R344-I346 VanDerWaalsContact C-N 3.35Å; I346-L348 HydrophobicContact CD1-CD1 4.27Å; I346-L348 HydrophobicContact CD1-CD2 3.76Å; I346-L348 HydrophobicContact CD1-CG 3.78Å; I346-L348 HydrophobicContact CG1-CD2 4.02Å; I346-L348 HydrophobicContact CG1-CG 3.78Å
347	H	98.3	Very high	97	Very high	67 Å²	67	43.1 Å²	43.1	31%	0.31	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	50.5	178.8	-64.5	-70.5	0	0	0	115.1	L292 R344 E345 E349 R350	L292-H347 WeakPolarHBondContact CD1-O 3.3Å; R344-H347 PolarHBondContact O-N 2.68Å; R344-H347 VanDerWaalsContact O-N 3.11Å; E345-H347 PolarHBondContact O-CD2 3.07Å; E345-H347 PolarHBondContact O-N 3.31Å; H347-E349 WeakPolarHBondContact CA-OE2 3.49Å; H347-E349 WeakPolarHBondContact CB-OE1 3.42Å; H347-E349 IonicContact CG-OE1 3.54Å; H347-E349 IonicContact ND1-OE1 2.89Å; H347-E349 PolarHBondContact ND1-OE1 3Å; H347-E349 PolarHBondContact O-N 3.45Å; H347-E349 VanDerWaalsContact O-N 3.09Å; H347-R350 HydrophobicContact CB-CG 3.92Å; H347-R350 PolarHBondContact CD2-NH2 3.29Å; H347-R350 VanDerWaalsContact CD2-NH2 3.31Å; H347-R350 PolarHBondContact NE2-NH2 3.23Å; H347-R350 WeakPolarHBondContact O-CB 3.41Å; H347-R350 PolarHBondContact O-N 2.94Å
348	L	98.3	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.2	-179.7	-76.5	-175.4	0	0	0	113.7	E276 V279 A280 L292 G307 L308 F309 W311 P338 A343 I346 R350 C351	E276-L348 HydrophobicContact CB-CD1 4.49Å; E276-L348 HydrophobicContact CB-CD2 4.43Å; V279-L348 HydrophobicContact CG1-CD2 4.3Å; A280-L348 HydrophobicContact CB-CD1 4.45Å; A280-L348 HydrophobicContact CB-CD2 4.27Å; L292-L348 HydrophobicContact CD1-CD2 4.2Å; G307-L348 WeakPolarHBondContact CA-O 3.45Å; L308-L348 WeakPolarHBondContact O-CD1 3.29Å; F309-L348 HydrophobicContact CD1-CB 4.14Å; F309-L348 HydrophobicContact CE1-CB 4.35Å; W311-L348 HydrophobicContact CH2-CD1 4.43Å; W311-L348 HydrophobicContact CZ3-CD1 4.14Å; P338-L348 HydrophobicContact CG-CD1 4.2Å; A343-L348 HydrophobicContact CB-CD1 4.05Å; A343-L348 PolarHBondContact O-N 3.44Å; A343-L348 VanDerWaalsContact O-N 3.15Å; I346-L348 HydrophobicContact CD1-CD1 4.27Å; I346-L348 HydrophobicContact CD1-CD2 3.76Å; I346-L348 HydrophobicContact CD1-CG 3.78Å; I346-L348 HydrophobicContact CG1-CD2 4.02Å; I346-L348 HydrophobicContact CG1-CG 3.78Å; L348-R350 PolarHBondContact O-N 3.32Å; L348-R350 VanDerWaalsContact O-N 3.08Å; L348-C351 WeakPolarHBondContact O-CB 3.43Å; L348-C351 PolarHBondContact O-N 2.89Å; L348-C351 PolarHBondContact O-SG 2.78Å; L348-C351 VanDerWaalsContact O-SG 3.4Å
349	E	97.8	Very high	97.1	Very high	44 Å²	44	45.3 Å²	45.3	21%	0.206	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.8	-21.1	175	72.8	-73.8	175.9	0	0	113.5	D306 G307 F309 H347 C351	D306-E349 HydrophobicContact CB-CB 4.23Å; D306-E349 WeakPolarHBondContact CB-O 3.35Å; G307-E349 PolarHBondContact N-O 2.87Å; F309-E349 HydrophobicContact CE1-CB 4.29Å; F309-E349 WeakPolarHBondContact CE1-OE2 3.44Å; F309-E349 HydrophobicContact CE2-CB 4.35Å; F309-E349 HydrophobicContact CZ-CB 3.72Å; F309-E349 HydrophobicContact CZ-CG 4.23Å; F309-E349 WeakPolarHBondContact CZ-OE2 3.45Å; H347-E349 WeakPolarHBondContact CA-OE2 3.49Å; H347-E349 WeakPolarHBondContact CB-OE1 3.42Å; H347-E349 IonicContact CG-OE1 3.54Å; H347-E349 IonicContact ND1-OE1 2.89Å; H347-E349 PolarHBondContact ND1-OE1 3Å; H347-E349 PolarHBondContact O-N 3.45Å; H347-E349 VanDerWaalsContact O-N 3.09Å; E349-C351 PolarHBondContact O-N 3.48Å
350	R	98.3	Very high	97.2	Very high	45 Å²	45	43.7 Å²	43.7	17%	0.17	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-74.3	-12.1	177.3	-64.3	178.1	-173	-178	6.1	113.5	E291 L292 H347 L348	E291-R350 IonicContact OE1-NH1 3.5Å; L292-R350 HydrophobicContact CB-CB 4.12Å; L292-R350 VanDerWaalsContact O-CD 3.26Å; L292-R350 WeakPolarHBondContact O-CD 3.5Å; L292-R350 PolarHBondContact O-NH1 2.95Å; H347-R350 HydrophobicContact CB-CG 3.92Å; H347-R350 PolarHBondContact CD2-NH2 3.29Å; H347-R350 VanDerWaalsContact CD2-NH2 3.31Å; H347-R350 PolarHBondContact NE2-NH2 3.23Å; H347-R350 WeakPolarHBondContact O-CB 3.41Å; H347-R350 PolarHBondContact O-N 2.94Å; L348-R350 PolarHBondContact O-N 3.32Å; L348-R350 VanDerWaalsContact O-N 3.08Å
351	C	98.6	Very high	97.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	18%	0.184	C	C	.	.	S	Bend	trans	-68.1	152.1	168.5	-56.7	0	0	0	0	110.3	G307 L348 E349 F365	G307-C351 PolarHBondContact N-O 2.79Å; L348-C351 WeakPolarHBondContact O-CB 3.43Å; L348-C351 PolarHBondContact O-N 2.89Å; L348-C351 PolarHBondContact O-SG 2.78Å; L348-C351 VanDerWaalsContact O-SG 3.4Å; E349-C351 PolarHBondContact O-N 3.48Å; C351-F365 HydrophobicContact CB-CE2 3.55Å; C351-F365 HydrophobicContact CB-CZ 3.56Å
352	M	97.9	Very high	97.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	-178.5	-53.8	176.8	-165.8	0	0	110.5	L119 T295 I354 F365 V366	L119-M352 HydrophobicContact CD1-CE 3.65Å; L119-M352 HydrophobicContact CD1-SD 3.75Å; L119-M352 HydrophobicContact CD2-CE 3.92Å; L119-M352 HydrophobicContact CG-CE 4.45Å; T295-M352 HydrophobicContact CG2-CE 3.61Å; T295-M352 WeakPolarHBondContact OG1-CE 3.02Å; M352-I354 HydrophobicContact CB-CD1 4.43Å; M352-F365 WeakPolarHBondContact O-CA 3.44Å; M352-F365 WeakPolarHBondContact O-CD2 3.35Å; M352-V366 HydrophobicContact CB-CB 4.45Å; M352-V366 PolarHBondContact N-O 2.95Å; M352-V366 PolarHBondContact O-N 3.48Å
353	R	97.7	Very high	97.2	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126	164.2	-72.2	179.2	-168.1	-77.8	24.2	110.5	D275 E276 R304 C305 F365	D275-R353 IonicContact OD2-NH1 3.87Å; D275-R353 PolarHBondContact OD2-NH1 2.92Å; E276-R353 IonicContact OE1-CZ 3.03Å; E276-R353 IonicContact OE1-NE 2.66Å; E276-R353 PolarHBondContact OE1-NE 3.12Å; E276-R353 IonicContact OE1-NH1 2.68Å; E276-R353 IonicContact OE1-NH2 2.65Å; E276-R353 PolarHBondContact OE1-NH2 3.15Å; E276-R353 IonicContact OE2-CZ 3.29Å; E276-R353 IonicContact OE2-NE 3.7Å; E276-R353 IonicContact OE2-NH1 2.66Å; E276-R353 PolarHBondContact OE2-NH1 3.09Å; E276-R353 IonicContact OE2-NH2 3.77Å; E276-R353 PolarHBondContact OE2-NH2 2.96Å; R304-R353 CarbonylContact C-O 3.44Å; R304-R353 VanDerWaalsContact CA-O 3.26Å; R304-R353 WeakPolarHBondContact CA-O 3.39Å; R304-R353 WeakPolarHBondContact CB-O 3.13Å; C305-R353 HydrophobicContact CB-CB 4.15Å; C305-R353 PolarHBondContact N-O 2.93Å; C305-R353 PolarHBondContact O-N 3.37Å; R353-F365 HydrophobicContact CG-CD2 3.84Å; R353-F365 HydrophobicContact CG-CE2 4.39Å
354	I	97.8	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.4	171	-56	87.7	0	0	0	107	V112 I115 L302 M352 G363 F364 V366	V112-I354 HydrophobicContact CG1-CB 4.25Å; V112-I354 HydrophobicContact CG1-CG2 3.72Å; I115-I354 HydrophobicContact CD1-CD1 4.17Å; I115-I354 HydrophobicContact CD1-CG1 4.01Å; L302-I354 HydrophobicContact CD1-CG1 4.12Å; L302-I354 HydrophobicContact CD2-CG1 4.37Å; M352-I354 HydrophobicContact CB-CD1 4.43Å; I354-G363 WeakPolarHBondContact O-CA 3.48Å; I354-F364 HydrophobicContact CB-CB 4.27Å; I354-F364 HydrophobicContact CD1-CB 4.23Å; I354-F364 PolarHBondContact N-O 3.12Å; I354-F364 PolarHBondContact O-N 2.87Å; I354-V366 HydrophobicContact CD1-CG2 4.23Å
355	L	98	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	11%	0.113	C	C	.	.			trans	-94.5	138.5	176.2	-59.9	-179.7	0	0	0	110.3	I22 V23 M270 H357 H358	I22-L355 HydrophobicContact CD1-CD2 4.46Å; V23-L355 HydrophobicContact CG2-CD1 4.23Å; M270-L355 HydrophobicContact SD-CD2 4.22Å; L355-H357 VanDerWaalsContact C-N 3.34Å; L355-H357 PolarHBondContact O-N 3.31Å; L355-H358 PolarHBondContact O-N 3.37Å
356	P	97.3	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-51.2	-44.9	-175	-27.9	31.4	0	0	0	115.4	F31 L35 M270 H358 N360 T361	F31-P356 HydrophobicContact CE2-CG 4.17Å; L35-P356 HydrophobicContact CD2-CB 4.22Å; L35-P356 HydrophobicContact CD2-CG 3.64Å; L35-P356 HydrophobicContact CG-CG 4.34Å; M270-P356 HydrophobicContact SD-CG 4.29Å; P356-H358 VanDerWaalsContact C-N 3.31Å; P356-H358 PolarHBondContact O-N 3.12Å; P356-N360 CarbonylContact O-C 3.51Å; P356-N360 VanDerWaalsContact O-CA 3.3Å; P356-N360 WeakPolarHBondContact O-CA 3.46Å; P356-N360 PolarHBondContact O-N 2.89Å; P356-T361 WeakPolarHBondContact CA-O 3.08Å; P356-T361 VanDerWaalsContact CB-O 3.3Å; P356-T361 WeakPolarHBondContact CB-O 3.49Å; P356-T361 PolarHBondContact O-N 3.35Å
357	H	97.3	Very high	97.4	Very high	28 Å²	28	16.3 Å²	16.3	13%	0.13	8%	0.077	C	C	.	.	H	α-helix	trans	-76.7	-16.2	-170.4	62.4	-60.3	0	0	0	114	E27 F31 C34 L355	E27-H357 IonicContact OE2-CD2 2.79Å; E27-H357 IonicContact OE2-CE1 2.87Å; E27-H357 IonicContact OE2-NE2 2.6Å; E27-H357 PolarHBondContact OE2-NE2 3.06Å; F31-H357 AromaticContact CD2-CE1 3.99Å; F31-H357 AromaticContact CD2-ND1 3.52Å; C34-H357 HydrophobicContact CB-CB 3.77Å; L355-H357 VanDerWaalsContact C-N 3.34Å; L355-H357 PolarHBondContact O-N 3.31Å
358	H	96.1	Very high	97.4	Very high	45 Å²	45	13.2 Å²	13.2	21%	0.208	6%	0.063	C	C	.	.	H	α-helix	trans	-69.4	-37.8	179.3	-68.6	162.6	0	0	0	112.2	E27 I303 C305 L355 P356	E27-H358 IonicContact OE2-CD2 3.74Å; E27-H358 IonicContact OE2-CE1 3.93Å; E27-H358 IonicContact OE2-NE2 2.89Å; E27-H358 PolarHBondContact OE2-NE2 2.87Å; I303-H358 HydrophobicContact CB-CB 4.24Å; I303-H358 HydrophobicContact CG2-CB 3.82Å; C305-H358 VanDerWaalsContact SG-CE1 3.57Å; L355-H358 PolarHBondContact O-N 3.37Å; P356-H358 VanDerWaalsContact C-N 3.31Å; P356-H358 PolarHBondContact O-N 3.12Å
359	Q	93.8	Very high	97.5	Very high	36 Å²	36	13.2 Å²	13.2	17%	0.168	6%	0.063	C	C	.	.	H	α-helix	trans	-141	26.6	-176.9	-66.1	-174.3	-76.1	0	0	113.8	L68 K301 I303 T361	L68-Q359 VanDerWaalsContact CD2-OE1 3.27Å; K301-Q359 PolarHBondContact O-NE2 2.89Å; I303-Q359 HydrophobicContact CB-CG 3.97Å; I303-Q359 HydrophobicContact CD1-CG 3.82Å; I303-Q359 HydrophobicContact CG1-CG 3.98Å; Q359-T361 VanDerWaalsContact C-N 3.29Å; Q359-T361 HydrophobicContact CB-CG2 4.22Å; Q359-T361 WeakPolarHBondContact O-CG2 3.41Å; Q359-T361 PolarHBondContact O-N 2.98Å
360	N	95	Very high	97.5	Very high	49 Å²	49	15.2 Å²	15.2	26%	0.262	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	39.9	178.9	-169.2	22	0	0	0	113.4	P40 N78 R225 P356	P40-N360 WeakPolarHBondContact CD-O 3.09Å; N78-N360 PolarHBondContact OD1-ND2 2.99Å; R225-N360 VanDerWaalsContact CZ-OD1 3.32Å; R225-N360 PolarHBondContact NH1-O 3.43Å; R225-N360 PolarHBondContact NH1-OD1 2.89Å; R225-N360 PolarHBondContact NH2-OD1 3.3Å; P356-N360 CarbonylContact O-C 3.51Å; P356-N360 VanDerWaalsContact O-CA 3.3Å; P356-N360 WeakPolarHBondContact O-CA 3.46Å; P356-N360 PolarHBondContact O-N 2.89Å
361	T	95.2	Very high	97.5	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.031	6%	0.06	C	C	.	.			trans	-111	-173.5	-177.5	60.1	0	0	0	0	112.4	L68 A111 V112 R225 P356 Q359	L68-T361 HydrophobicContact CD1-CG2 3.82Å; A111-T361 HydrophobicContact CB-CG2 4.03Å; V112-T361 HydrophobicContact CG1-CG2 4.1Å; R225-T361 WeakPolarHBondContact CD-O 3.43Å; R225-T361 PolarHBondContact NH1-O 2.78Å; P356-T361 WeakPolarHBondContact CA-O 3.08Å; P356-T361 VanDerWaalsContact CB-O 3.3Å; P356-T361 WeakPolarHBondContact CB-O 3.49Å; P356-T361 PolarHBondContact O-N 3.35Å; Q359-T361 VanDerWaalsContact C-N 3.29Å; Q359-T361 HydrophobicContact CB-CG2 4.22Å; Q359-T361 WeakPolarHBondContact O-CG2 3.41Å; Q359-T361 PolarHBondContact O-N 2.98Å
362	G	96.2	Very high	97.4	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.031	8%	0.081	C	C	.	.			trans	-81.2	168.2	161.2	0	0	0	0	0	111.1	G222	G222-G362 WeakPolarHBondContact O-CA 3.43Å
363	G	97.6	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.087	C	C	.	.			trans	-75.8	139.4	169.4	0	0	0	0	0	110.4	G222 I354	G222-G363 WeakPolarHBondContact CA-O 3.47Å; G222-G363 PolarHBondContact O-N 2.78Å; I354-G363 WeakPolarHBondContact O-CA 3.48Å
364	F	98.2	Very high	96.9	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	149.1	-177.3	-147.2	-99.2	0	0	0	111.6	V112 P116 T267 C268 I354 V366	V112-F364 HydrophobicContact CB-CB 3.77Å; V112-F364 HydrophobicContact CB-CD2 4.2Å; V112-F364 HydrophobicContact CB-CG 3.95Å; V112-F364 HydrophobicContact CG1-CB 4.1Å; V112-F364 HydrophobicContact CG2-CB 4.22Å; V112-F364 HydrophobicContact CG2-CD2 4.12Å; V112-F364 HydrophobicContact CG2-CG 4.34Å; P116-F364 HydrophobicContact CG-CD1 4.42Å; P116-F364 HydrophobicContact CG-CE1 3.39Å; P116-F364 HydrophobicContact CG-CZ 3.9Å; T267-F364 VanDerWaalsContact O-CD2 3.31Å; T267-F364 WeakPolarHBondContact O-CD2 3.22Å; T267-F364 WeakPolarHBondContact O-CE2 3.13Å; T267-F364 WeakPolarHBondContact O-CG 3.49Å; C268-F364 HydrophobicContact CB-CD2 3.77Å; C268-F364 HydrophobicContact CB-CE2 3.75Å; I354-F364 HydrophobicContact CB-CB 4.27Å; I354-F364 HydrophobicContact CD1-CB 4.23Å; I354-F364 PolarHBondContact N-O 3.12Å; I354-F364 PolarHBondContact O-N 2.87Å; F364-V366 HydrophobicContact CD1-CG2 3.64Å; F364-V366 HydrophobicContact CE1-CG2 3.81Å
365	F	98.8	Very high	96.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.2	175.5	177.6	-98.6	0	0	0	110.4	Y265 S266 T267 D275 E276 V279 C351 M352 R353 A367	Y265-F365 HydrophobicContact CD1-CD1 4.11Å; Y265-F365 AromaticContact CD1-CE1 3.87Å; Y265-F365 HydrophobicContact CD1-CE1 3.87Å; Y265-F365 HydrophobicContact CE1-CD1 4.07Å; Y265-F365 AromaticContact CE1-CE1 3.98Å; Y265-F365 HydrophobicContact CE1-CE1 3.98Å; S266-F365 WeakPolarHBondContact CA-O 3.45Å; S266-F365 WeakPolarHBondContact CB-O 3.21Å; T267-F365 PolarHBondContact N-O 3.47Å; T267-F365 PolarHBondContact O-N 3.2Å; D275-F365 HydrophobicContact CB-CB 4.27Å; D275-F365 HydrophobicContact CB-CD1 3.63Å; D275-F365 HydrophobicContact CB-CD2 3.64Å; D275-F365 HydrophobicContact CB-CE1 3.73Å; D275-F365 HydrophobicContact CB-CE2 3.73Å; D275-F365 HydrophobicContact CB-CG 3.57Å; D275-F365 HydrophobicContact CB-CZ 3.77Å; D275-F365 VanDerWaalsContact CG-CB 3.48Å; D275-F365 WeakPolarHBondContact OD1-CB 3.49Å; D275-F365 WeakPolarHBondContact OD1-CD1 3.34Å; D275-F365 WeakPolarHBondContact OD1-CG 3.42Å; E276-F365 HydrophobicContact CG-CE2 4.16Å; E276-F365 HydrophobicContact CG-CZ 4.22Å; V279-F365 HydrophobicContact CG2-CE1 3.92Å; V279-F365 HydrophobicContact CG2-CZ 4.08Å; C351-F365 HydrophobicContact CB-CE2 3.55Å; C351-F365 HydrophobicContact CB-CZ 3.56Å; M352-F365 WeakPolarHBondContact O-CA 3.44Å; M352-F365 WeakPolarHBondContact O-CD2 3.35Å; R353-F365 HydrophobicContact CG-CD2 3.84Å; R353-F365 HydrophobicContact CG-CE2 4.39Å; F365-A367 HydrophobicContact CE1-CB 4.11Å; F365-A367 HydrophobicContact CZ-CB 4.31Å
366	V	98.8	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	136	176.6	-164.8	0	0	0	0	111.1	I115 P116 L119 V264 Y265 M352 I354 F364	I115-V366 HydrophobicContact CG2-CG2 4.21Å; P116-V366 HydrophobicContact CG-CG2 4.18Å; L119-V366 HydrophobicContact CD1-CB 4.34Å; L119-V366 HydrophobicContact CD1-CG1 3.72Å; V264-V366 HydrophobicContact CG1-CG1 3.55Å; Y265-V366 CarbonylContact O-C 3.56Å; Y265-V366 WeakPolarHBondContact O-CA 3.32Å; M352-V366 HydrophobicContact CB-CB 4.45Å; M352-V366 PolarHBondContact N-O 2.95Å; M352-V366 PolarHBondContact O-N 3.48Å; I354-V366 HydrophobicContact CD1-CG2 4.23Å; F364-V366 HydrophobicContact CD1-CG2 3.64Å; F364-V366 HydrophobicContact CE1-CG2 3.81Å
367	A	98.8	Very high	93.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.6	170.1	0	0	0	0	0	109.7	V264 Y265 V279 L292 F365 L369	V264-A367 WeakPolarHBondContact CA-O 3.48Å; Y265-A367 PolarHBondContact N-O 3.27Å; Y265-A367 PolarHBondContact O-N 2.93Å; V279-A367 HydrophobicContact CG2-CB 3.72Å; L292-A367 HydrophobicContact CD2-CB 3.92Å; F365-A367 HydrophobicContact CE1-CB 4.11Å; F365-A367 HydrophobicContact CZ-CB 4.31Å; A367-L369 HydrophobicContact CB-CD1 4.17Å
368	V	98.8	Very high	91	Very high	3 Å²	3	31 Å²	31	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.3	177.4	-173.7	0	0	0	0	107.9	L119 V264 M293 T295	L119-V368 HydrophobicContact CB-CG2 3.86Å; L119-V368 HydrophobicContact CD1-CG2 4.17Å; L119-V368 HydrophobicContact CG-CG2 4.49Å; V264-V368 HydrophobicContact CG2-CG1 4.43Å; V264-V368 HydrophobicContact CG2-CG2 4.32Å; M293-V368 HydrophobicContact CB-CB 4.26Å; M293-V368 HydrophobicContact CB-CG1 4.06Å; M293-V368 HydrophobicContact CG-CG1 4.31Å; M293-V368 PolarHBondContact N-O 2.98Å; T295-V368 HydrophobicContact CG2-CB 3.97Å; T295-V368 HydrophobicContact CG2-CG2 3.78Å
369	L	98.8	Very high	88.6	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.8	-179.8	-58.6	100	0	0	0	110.7	L262 M263 V279 L282 I283 L290 E291 L292 A367	L262-L369 CarbonylContact C-O 3.56Å; L262-L369 WeakPolarHBondContact CA-O 3.27Å; M263-L369 HydrophobicContact CB-CB 4.5Å; M263-L369 PolarHBondContact N-O 2.77Å; M263-L369 PolarHBondContact O-N 2.71Å; V279-L369 HydrophobicContact CG1-CD2 4.43Å; L282-L369 HydrophobicContact CD2-CD1 4.45Å; L282-L369 HydrophobicContact CD2-CD2 4.11Å; I283-L369 HydrophobicContact CD1-CD2 4.24Å; I283-L369 HydrophobicContact CG1-CD2 3.93Å; L290-L369 HydrophobicContact CB-CD2 4.06Å; L290-L369 HydrophobicContact CD1-CD2 4.44Å; E291-L369 CarbonylContact O-C 3.57Å; E291-L369 VanDerWaalsContact O-CA 3.26Å; E291-L369 WeakPolarHBondContact O-CA 3.11Å; L292-L369 HydrophobicContact CD2-CD2 4.47Å; L292-L369 HydrophobicContact CD2-CG 4.05Å; A367-L369 HydrophobicContact CB-CD1 4.17Å
370	R	98.6	Very high	86.2	Confident	86 Å²	86	37 Å²	37	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.7	169.5	179.2	173.1	61.8	-164.8	-1.6	109.7	G261 L262 L290 E291 M293 V372	G261-R370 WeakPolarHBondContact O-CA 3.41Å; L262-R370 HydrophobicContact CD2-CB 3.83Å; L262-R370 HydrophobicContact CD2-CG 4.2Å; L290-R370 WeakPolarHBondContact CA-O 3.2Å; E291-R370 PolarHBondContact N-O 3.34Å; E291-R370 PolarHBondContact O-N 3.08Å; E291-R370 IonicContact OE1-NH2 3.44Å; E291-R370 IonicContact OE2-CZ 3.67Å; E291-R370 IonicContact OE2-NE 3.69Å; E291-R370 IonicContact OE2-NH2 2.99Å; E291-R370 PolarHBondContact OE2-NH2 2.79Å; M293-R370 HydrophobicContact CG-CB 3.77Å; M293-R370 HydrophobicContact SD-CB 3.64Å; M293-R370 HydrophobicContact SD-CG 4.41Å; M293-R370 VanDerWaalsContact SD-CZ 3.53Å; R370-V372 HydrophobicContact CG-CG1 4.39Å
371	K	97.8	Very high	83.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119	170.7	-171.7	177.4	177.1	-175.7	0	109.9	S254 L257 V259 G260 G261 R289 L290 G373 E374	S254-K371 WeakPolarHBondContact O-CD 3.29Å; S254-K371 WeakPolarHBondContact O-CE 3.38Å; S254-K371 PolarHBondContact O-NZ 3.43Å; L257-K371 HydrophobicContact CB-CD 4.16Å; L257-K371 HydrophobicContact CD2-CB 3.76Å; L257-K371 HydrophobicContact CG-CB 4.22Å; L257-K371 HydrophobicContact CG-CD 4.45Å; L257-K371 WeakPolarHBondContact O-CD 3.39Å; L257-K371 WeakPolarHBondContact O-CE 3.48Å; L257-K371 PolarHBondContact O-NZ 2.71Å; V259-K371 HydrophobicContact CG2-CD 4.29Å; V259-K371 HydrophobicContact CG2-CG 4.35Å; G260-K371 WeakPolarHBondContact CA-O 3Å; G260-K371 PolarHBondContact N-O 3.18Å; G261-K371 PolarHBondContact O-N 3.21Å; G261-K371 VanDerWaalsContact O-N 3.09Å; R289-K371 WeakPolarHBondContact O-CA 3.37Å; L290-K371 HydrophobicContact CD2-CB 4.03Å; L290-K371 HydrophobicContact CD2-CG 4.28Å; K371-G373 WeakPolarHBondContact CE-O 3.36Å; K371-G373 VanDerWaalsContact CG-O 3.26Å; K371-G373 WeakPolarHBondContact CG-O 3.48Å; K371-E374 WeakPolarHBondContact CE-OE2 3.41Å; K371-E374 IonicContact NZ-OE2 2.91Å; K371-E374 PolarHBondContact NZ-OE2 3.33Å
372	V	97.6	Very high	81.6	Confident	71 Å²	71	49.8 Å²	49.8	43%	0.43	28%	0.277	S	S	.	.			trans	-103.9	-11.6	-175.8	-63.3	0	0	0	0	113.3	R289 E291 R370	R289-V372 PolarHBondContact O-N 3.25Å; E291-V372 HydrophobicContact CB-CG1 4Å; R370-V372 HydrophobicContact CG-CG1 4.39Å
373	G	94.2	Very high	79.3	Confident	13 Å²	13	52.1 Å²	52.1	13%	0.134	29%	0.291	C	S	.	.	S	Bend	trans	-161.8	174	172.1	0	0	0	0	0	111.7	K371 V375	K371-G373 WeakPolarHBondContact CE-O 3.36Å; K371-G373 VanDerWaalsContact CG-O 3.26Å; K371-G373 WeakPolarHBondContact CG-O 3.48Å; G373-V375 PolarHBondContact O-N 3.4Å
374	E	89.8	Confident	76.9	Confident	104 Å²	104	59.9 Å²	59.9	49%	0.486	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.4	135.4	-178.9	-71.7	-60.3	167.7	0	0	111.8	V259 R289 K371	V259-E374 HydrophobicContact CG2-CG 4Å; V259-E374 WeakPolarHBondContact CG2-OE1 3.07Å; R289-E374 PolarHBondContact NH1-O 3.5Å; K371-E374 WeakPolarHBondContact CE-OE2 3.41Å; K371-E374 IonicContact NZ-OE2 2.91Å; K371-E374 PolarHBondContact NZ-OE2 3.33Å
375	V	84.1	Confident	74.6	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.042	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-95.3	120	174.7	177.1	0	0	0	0	106.7	K255 R289 G373 I377	K255-V375 HydrophobicContact CG-CB 4.36Å; K255-V375 HydrophobicContact CG-CG1 3.92Å; R289-V375 HydrophobicContact CB-CG2 3.79Å; G373-V375 PolarHBondContact O-N 3.4Å; V375-I377 PolarHBondContact O-N 3.45Å
376	S	72.4	Confident	72.2	Confident	79 Å²	79	64.8 Å²	64.8	55%	0.552	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-55.2	127.7	-175.9	55.3	0	0	0	0	111.4	K255	K255-S376 WeakPolarHBondContact CE-O 3.26Å
377	I	58.1	Low	69.7	Low	61 Å²	61	70.6 Å²	70.6	31%	0.313	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-89.3	119.9	171.8	-52.4	175	0	0	0	105.2	V375 S379	V375-I377 PolarHBondContact O-N 3.45Å; I377-S379 PolarHBondContact O-N 3.21Å; I377-S379 VanDerWaalsContact O-N 3.13Å
378	P	53.2	Low	67	Low	81 Å²	81	76.1 Å²	76.1	53%	0.526	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-51.4	126.6	168.2	-22.2	31.5	0	0	0	107.9	A380	P378-A380 PolarHBondContact O-N 2.66Å
379	S	44	Very low	64.8	Low	130 Å²	130	76.8 Å²	76.8	91%	0.909	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	22.8	-166.2	47.4	0	0	0	0	116	I377	I377-S379 PolarHBondContact O-N 3.21Å; I377-S379 VanDerWaalsContact O-N 3.13Å
380	A	44	Very low	62.8	Low	78 Å²	78	84.6 Å²	84.6	65%	0.645	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	17.4	-168.2	0	0	0	0	0	116.1	P378 R382	P378-A380 PolarHBondContact O-N 2.66Å; A380-R382 PolarHBondContact O-N 2.85Å
381	L	47.8	Very low	61.2	Low	100 Å²	100	83.4 Å²	83.4	52%	0.524	47%	0.467	S	S	.	.			trans	-74.3	75.2	154.7	-74.9	171	0	0	0	106.7	T383	L381-T383 VanDerWaalsContact C-N 3.26Å; L381-T383 PolarHBondContact O-N 2.76Å
382	R	45.5	Very low	59.9	Low	222 Å²	222	83.6 Å²	83.6	84%	0.838	47%	0.468	S	S	*	.			trans	-55.1	105.8	157.2	-74.8	-176.6	176.9	-177.1	-1.3	103.9	A380 E384	A380-R382 PolarHBondContact O-N 2.85Å; R382-E384 PolarHBondContact O-N 3.4Å
383	T	48.3	Very low	58.9	Low	53 Å²	53	82 Å²	82	33%	0.325	46%	0.456	S	S	.	.			trans	-64.1	85.4	165.5	-50.3	0	0	0	0	104.6	P196 L381 A385 I434	P196-T383 HydrophobicContact CB-CG2 3.55Å; L381-T383 VanDerWaalsContact C-N 3.26Å; L381-T383 PolarHBondContact O-N 2.76Å; T383-A385 PolarHBondContact O-N 2.9Å; T383-I434 HydrophobicContact CG2-CG2 4.02Å
384	E	47.5	Very low	58	Low	164 Å²	164	83 Å²	83	77%	0.766	46%	0.459	S	S	*	.			trans	-57.1	115.6	161.5	-71.1	-171.6	174.4	0	0	104.5	R382 I386	R382-E384 PolarHBondContact O-N 3.4Å; E384-I386 PolarHBondContact O-N 3.09Å; E384-I386 VanDerWaalsContact O-N 3.13Å
385	A	49.7	Very low	57.6	Low	52 Å²	52	84.2 Å²	84.2	43%	0.43	46%	0.463	S	S	.	.			trans	-51.5	126	175.2	0	0	0	0	0	106.9	T383 T387	T383-A385 PolarHBondContact O-N 2.9Å; A385-T387 VanDerWaalsContact C-N 3.33Å; A385-T387 PolarHBondContact O-N 3.47Å
386	I	48.9	Very low	57.2	Low	56 Å²	56	85.7 Å²	85.7	29%	0.287	47%	0.47	S	S	.	.			trans	-66.6	98.9	180	-64.3	174	0	0	0	106.6	M190 E384 T388	M190-I386 HydrophobicContact CE-CD1 3.16Å; M190-I386 HydrophobicContact SD-CD1 3.73Å; E384-I386 PolarHBondContact O-N 3.09Å; E384-I386 VanDerWaalsContact O-N 3.13Å; I386-T388 WeakPolarHBondContact CG2-OG1 3.44Å; I386-T388 PolarHBondContact O-N 3.25Å; I386-T388 VanDerWaalsContact O-N 3.17Å
387	T	45.8	Very low	57.1	Low	122 Å²	122	89.2 Å²	89.2	75%	0.748	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-4.5	-174.5	42.3	0	0	0	0	113.3	A385	A385-T387 VanDerWaalsContact C-N 3.33Å; A385-T387 PolarHBondContact O-N 3.47Å
388	T	42.7	Very low	57.4	Low	116 Å²	116	92.3 Å²	92.3	71%	0.712	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	18.2	-167.1	50.9	0	0	0	0	115.7	I386 K390	I386-T388 WeakPolarHBondContact CG2-OG1 3.44Å; I386-T388 PolarHBondContact O-N 3.25Å; I386-T388 VanDerWaalsContact O-N 3.17Å; T388-K390 PolarHBondContact O-N 3.46Å
389	V	53	Low	57.8	Low	17 Å²	17	94.5 Å²	94.5	10%	0.103	50%	0.501	C	S	.	.			trans	-79.1	117.5	-174.9	-174.7	0	0	0	0	111.7	D391 N433 L436	V389-D391 PolarHBondContact O-N 3.15Å; V389-N433 HydrophobicContact CG2-CB 4.48Å; V389-L436 HydrophobicContact CG1-CD1 3.99Å; V389-L436 HydrophobicContact CG2-CD1 4.19Å
390	K	55.8	Low	59	Low	165 Å²	165	92 Å²	92	72%	0.717	48%	0.477	S	S	*	.	S	Bend	trans	-69.1	122.4	163.4	-73	-177.3	177.2	179.9	0	110	T388 R424	T388-K390 PolarHBondContact O-N 3.46Å; K390-R424 PolarHBondContact O-NH2 2.9Å
391	D	65.1	Low	60.5	Low	61 Å²	61	95 Å²	95	33%	0.326	48%	0.483	S	S	.	.	S	Bend	trans	53.4	80.3	171.1	-46.2	-32.3	0	0	0	115.1	V389 R424 S425 S426	V389-D391 PolarHBondContact O-N 3.15Å; D391-R424 HydrophobicContact CB-CG 3.74Å; D391-R424 WeakPolarHBondContact O-CG 3.37Å; D391-R424 PolarHBondContact O-NE 3Å; D391-R424 VanDerWaalsContact O-NE 3.11Å; D391-S425 CarbonylContact C-O 3.53Å; D391-S425 WeakPolarHBondContact CA-O 3.37Å; D391-S425 VanDerWaalsContact CB-O 3.23Å; D391-S425 WeakPolarHBondContact CB-O 3.46Å; D391-S426 WeakPolarHBondContact OD1-CA 3.5Å
392	P	70	Confident	62	Low	3 Å²	3	91.5 Å²	91.5	2%	0.019	47%	0.469	C	S	.	.			trans	-65.8	150.8	-176.8	27	-34.3	0	0	0	112.6	V394 S425 K430	P392-V394 HydrophobicContact CB-CG2 4.35Å; P392-V394 HydrophobicContact CG-CG2 4.11Å; P392-V394 PolarHBondContact O-N 3.19Å; P392-S425 WeakPolarHBondContact CD-O 3.37Å; P392-S425 PolarHBondContact O-N 2.59Å; P392-K430 HydrophobicContact CG-CB 4.48Å
393	F	76.1	Confident	63.7	Low	38 Å²	38	81.3 Å²	81.3	17%	0.167	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.4	163	-75.6	-88.5	0	0	0	109.3	L422 V423 I437 A440	F393-L422 HydrophobicContact CB-CD2 4.37Å; F393-L422 HydrophobicContact CD1-CB 4.39Å; F393-V423 WeakPolarHBondContact CA-O 3.31Å; F393-I437 HydrophobicContact CD2-CB 3.96Å; F393-I437 HydrophobicContact CD2-CG2 3.47Å; F393-I437 VanDerWaalsContact CD2-CG2 3.47Å; F393-I437 HydrophobicContact CE2-CB 4.36Å; F393-I437 HydrophobicContact CE2-CG2 3.65Å; F393-I437 HydrophobicContact CG-CG2 4.36Å; F393-A440 HydrophobicContact CD1-CB 4.08Å; F393-A440 HydrophobicContact CD2-CB 4.48Å; F393-A440 HydrophobicContact CE1-CB 4.32Å; F393-A440 HydrophobicContact CG-CB 4.16Å
394	V	76.6	Confident	65.4	Low	33 Å²	33	81.7 Å²	81.7	20%	0.2	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.3	179.9	-175	0	0	0	0	108.2	P392 I396 V423 K430	P392-V394 HydrophobicContact CB-CG2 4.35Å; P392-V394 HydrophobicContact CG-CG2 4.11Å; P392-V394 PolarHBondContact O-N 3.19Å; V394-I396 PolarHBondContact O-N 3.07Å; V394-V423 PolarHBondContact N-O 3.47Å; V394-V423 PolarHBondContact O-N 3.32Å; V394-K430 HydrophobicContact CB-CD 4.49Å; V394-K430 HydrophobicContact CG1-CD 4.04Å; V394-K430 HydrophobicContact CG2-CB 4.07Å; V394-K430 HydrophobicContact CG2-CD 4Å
395	F	80.3	Confident	67.2	Low	130 Å²	130	75.5 Å²	75.5	57%	0.57	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.5	171.9	-69.9	-75.3	0	0	0	109.8	E397 P420 L421 L422	F395-E397 PolarHBondContact O-N 3.49Å; F395-P420 HydrophobicContact CD1-CB 4.15Å; F395-P420 HydrophobicContact CE1-CB 3.82Å; F395-L421 CarbonylContact C-O 3.36Å; F395-L421 VanDerWaalsContact CA-O 3.27Å; F395-L421 WeakPolarHBondContact CA-O 3.3Å; F395-L422 HydrophobicContact CB-CD2 4.39Å; F395-L422 HydrophobicContact CD1-CD2 3.35Å; F395-L422 HydrophobicContact CD1-CG 3.69Å; F395-L422 HydrophobicContact CD2-CD2 3.92Å; F395-L422 HydrophobicContact CE1-CD1 3.97Å; F395-L422 HydrophobicContact CE1-CD2 3.37Å; F395-L422 HydrophobicContact CE1-CG 3.51Å; F395-L422 HydrophobicContact CE2-CD2 3.96Å; F395-L422 HydrophobicContact CG-CD2 3.63Å; F395-L422 HydrophobicContact CG-CG 4.46Å; F395-L422 HydrophobicContact CZ-CD1 4.32Å; F395-L422 HydrophobicContact CZ-CD2 3.7Å; F395-L422 HydrophobicContact CZ-CG 4.18Å
396	I	76.3	Confident	69	Low	39 Å²	39	73.5 Å²	73.5	20%	0.2	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.6	131	175.7	-52.3	174.5	0	0	0	108.1	V394 D400 T403 L421 V423	V394-I396 PolarHBondContact O-N 3.07Å; I396-D400 HydrophobicContact CG2-CB 3.85Å; I396-T403 HydrophobicContact CG2-CG2 4.44Å; I396-L421 HydrophobicContact CB-CB 4.25Å; I396-L421 HydrophobicContact CD1-CB 3.8Å; I396-L421 HydrophobicContact CD1-CD1 4.46Å; I396-L421 HydrophobicContact CG1-CB 4.16Å; I396-L421 PolarHBondContact N-O 2.82Å; I396-V423 HydrophobicContact CD1-CB 4.45Å; I396-V423 HydrophobicContact CD1-CG1 3.34Å; I396-V423 HydrophobicContact CD1-CG2 4.48Å; I396-V423 HydrophobicContact CG1-CB 4.13Å; I396-V423 HydrophobicContact CG1-CG1 3.52Å; I396-V423 HydrophobicContact CG1-CG2 3.7Å
397	E	71.2	Confident	70.8	Confident	153 Å²	153	73 Å²	73	72%	0.715	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.2	167.7	-67.8	-175.4	178.4	0	0	109.1	F395 T399 D400	F395-E397 PolarHBondContact O-N 3.49Å; E397-T399 PolarHBondContact O-N 3.16Å; E397-D400 VanDerWaalsContact O-CB 3.29Å; E397-D400 WeakPolarHBondContact O-CB 3.34Å; E397-D400 PolarHBondContact O-N 3.39Å
398	K	64.1	Low	72.8	Confident	126 Å²	126	72.1 Å²	72.1	55%	0.548	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9	-170.1	-62.6	173.8	-176.5	169.9	0	114.4	D400 D417	K398-D400 VanDerWaalsContact C-N 3.28Å; K398-D417 WeakPolarHBondContact CD-O 3.26Å; K398-D417 WeakPolarHBondContact CE-O 3.48Å; K398-D417 PolarHBondContact NZ-O 3.17Å
399	T	60.8	Low	74.9	Confident	126 Å²	126	66.9 Å²	66.9	77%	0.773	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	3.6	173.7	49	0	0	0	0	113.4	E397	E397-T399 PolarHBondContact O-N 3.16Å
400	D	69.9	Low	76.5	Confident	77 Å²	77	66 Å²	66	41%	0.412	35%	0.349	S	S	.	.			trans	-70.3	135.5	178.5	-167	-56.4	0	0	0	111.5	I396 E397 K398 A402 T403 A404	I396-D400 HydrophobicContact CG2-CB 3.85Å; E397-D400 VanDerWaalsContact O-CB 3.29Å; E397-D400 WeakPolarHBondContact O-CB 3.34Å; E397-D400 PolarHBondContact O-N 3.39Å; K398-D400 VanDerWaalsContact C-N 3.28Å; D400-A402 PolarHBondContact O-N 3.34Å; D400-A402 VanDerWaalsContact O-N 3.15Å; D400-A402 WeakPolarHBondContact OD1-CB 3.48Å; D400-A402 PolarHBondContact OD1-N 3.28Å; D400-T403 PolarHBondContact O-N 2.97Å; D400-T403 PolarHBondContact O-OG1 3.46Å; D400-A404 PolarHBondContact O-N 3.25Å
401	D	76.3	Confident	78	Confident	141 Å²	141	58.6 Å²	58.6	75%	0.754	32%	0.319	S	S	*	.	H	α-helix	trans	-54.6	-31.7	177.6	-69.1	-29.2	0	0	0	112.3	A404 S405	D401-A404 PolarHBondContact O-N 2.93Å; D401-S405 WeakPolarHBondContact O-CB 3.18Å; D401-S405 PolarHBondContact O-N 2.71Å
402	A	78.3	Confident	79	Confident	28 Å²	28	56.5 Å²	56.5	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-44.6	175.9	0	0	0	0	0	112	D400 S405 I406 F457	D400-A402 PolarHBondContact O-N 3.34Å; D400-A402 VanDerWaalsContact O-N 3.15Å; D400-A402 WeakPolarHBondContact OD1-CB 3.48Å; D400-A402 PolarHBondContact OD1-N 3.28Å; A402-S405 PolarHBondContact O-N 3.06Å; A402-I406 WeakPolarHBondContact O-CG1 3.49Å; A402-I406 PolarHBondContact O-N 3.25Å; A402-I406 VanDerWaalsContact O-N 3.12Å; A402-F457 HydrophobicContact CB-CE2 3.69Å; A402-F457 HydrophobicContact CB-CZ 4.2Å
403	T	80.9	Confident	79.7	Confident	8 Å²	8	61.5 Å²	61.5	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-42.6	176.7	19.9	0	0	0	0	111.4	I396 D400 S405 I406 V407 L421	I396-T403 HydrophobicContact CG2-CG2 4.44Å; D400-T403 PolarHBondContact O-N 2.97Å; D400-T403 PolarHBondContact O-OG1 3.46Å; T403-S405 VanDerWaalsContact C-N 3.34Å; T403-S405 PolarHBondContact O-N 2.81Å; T403-I406 PolarHBondContact O-N 3.42Å; T403-V407 VanDerWaalsContact O-CG2 3.28Å; T403-V407 WeakPolarHBondContact O-CG2 3.4Å; T403-V407 PolarHBondContact O-N 3.13Å; T403-L421 HydrophobicContact CG2-CD1 3.51Å
404	A	84.1	Confident	79.7	Confident	61 Å²	61	61.7 Å²	61.7	50%	0.504	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-42.9	176.3	0	0	0	0	0	112.1	D400 D401 I406 V407 D408	D400-A404 PolarHBondContact O-N 3.25Å; D401-A404 PolarHBondContact O-N 2.93Å; A404-I406 PolarHBondContact O-N 3.1Å; A404-V407 PolarHBondContact O-N 3.02Å; A404-D408 PolarHBondContact O-N 3.24Å
405	S	85.9	Confident	79.7	Confident	34 Å²	34	62.6 Å²	62.6	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-42.5	175.6	178.2	0	0	0	0	112.4	D401 A402 T403 F409 T454	D401-S405 WeakPolarHBondContact O-CB 3.18Å; D401-S405 PolarHBondContact O-N 2.71Å; A402-S405 PolarHBondContact O-N 3.06Å; T403-S405 VanDerWaalsContact C-N 3.34Å; T403-S405 PolarHBondContact O-N 2.81Å; S405-F409 WeakPolarHBondContact O-CB 3.14Å; S405-F409 PolarHBondContact O-N 3.31Å; S405-T454 PolarHBondContact OG-O 3.4Å
406	I	86.5	Confident	79.8	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-47.8	175.7	-70.3	167.9	0	0	0	110.9	A402 T403 A404 F409 Y410 M412 F416 F445 F457	A402-I406 WeakPolarHBondContact O-CG1 3.49Å; A402-I406 PolarHBondContact O-N 3.25Å; A402-I406 VanDerWaalsContact O-N 3.12Å; T403-I406 PolarHBondContact O-N 3.42Å; A404-I406 PolarHBondContact O-N 3.1Å; I406-F409 PolarHBondContact O-N 2.82Å; I406-Y410 HydrophobicContact CG2-CD2 4.11Å; I406-Y410 PolarHBondContact O-N 3.44Å; I406-M412 HydrophobicContact CG2-CG 4.32Å; I406-F416 HydrophobicContact CG2-CE1 4.43Å; I406-F416 HydrophobicContact CG2-CZ 4.02Å; I406-F445 HydrophobicContact CD1-CD2 4.26Å; I406-F445 HydrophobicContact CD1-CE2 4.32Å; I406-F445 HydrophobicContact CD1-CG 4.41Å; I406-F445 HydrophobicContact CG2-CE1 3.85Å; I406-F445 HydrophobicContact CG2-CE2 4.05Å; I406-F445 HydrophobicContact CG2-CZ 3.46Å; I406-F445 VanDerWaalsContact CG2-CZ 3.46Å; I406-F457 HydrophobicContact CD1-CB 3.97Å; I406-F457 HydrophobicContact CD1-CD2 3.77Å; I406-F457 HydrophobicContact CD1-CE2 4.43Å; I406-F457 HydrophobicContact CD1-CG 3.85Å; I406-F457 HydrophobicContact CG1-CB 3.93Å; I406-F457 HydrophobicContact CG1-CD2 3.91Å; I406-F457 HydrophobicContact CG1-CG 4.16Å
407	V	88.1	Confident	79.8	Confident	44 Å²	44	58.7 Å²	58.7	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-48.6	-178.3	170.6	0	0	0	0	110.7	T403 A404 G411 M412 F416	T403-V407 VanDerWaalsContact O-CG2 3.28Å; T403-V407 WeakPolarHBondContact O-CG2 3.4Å; T403-V407 PolarHBondContact O-N 3.13Å; A404-V407 PolarHBondContact O-N 3.02Å; V407-G411 CarbonylContact O-C 3.46Å; V407-G411 WeakPolarHBondContact O-CA 3.37Å; V407-G411 PolarHBondContact O-N 2.96Å; V407-M412 HydrophobicContact CB-CB 4.39Å; V407-M412 HydrophobicContact CG1-CB 4.34Å; V407-M412 HydrophobicContact CG2-CB 4.15Å; V407-M412 HydrophobicContact CG2-CG 4.45Å; V407-M412 PolarHBondContact O-N 3.46Å; V407-F416 HydrophobicContact CG2-CD1 3.7Å; V407-F416 HydrophobicContact CG2-CE1 3.76Å
408	D	88	Confident	80.1	Confident	104 Å²	104	58.7 Å²	58.7	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-45.5	177.4	178.7	53.1	0	0	0	111.8	A404 Y410 G411 R473	A404-D408 PolarHBondContact O-N 3.24Å; D408-Y410 PolarHBondContact O-N 3.19Å; D408-G411 PolarHBondContact O-N 3.22Å; D408-R473 PolarHBondContact O-NH1 2.8Å; D408-R473 IonicContact OD1-CZ 3.8Å; D408-R473 IonicContact OD1-NH1 2.66Å; D408-R473 PolarHBondContact OD1-NH1 3.5Å
409	F	86	Confident	80.8	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-40.5	-172.9	-174	-94.1	0	0	0	113.7	S405 I406 T454 C455 R474 A583 F584	S405-F409 WeakPolarHBondContact O-CB 3.14Å; S405-F409 PolarHBondContact O-N 3.31Å; I406-F409 PolarHBondContact O-N 2.82Å; F409-T454 WeakPolarHBondContact CE2-OG1 3.3Å; F409-C455 HydrophobicContact CB-CB 3.56Å; F409-C455 HydrophobicContact CD1-CB 3.69Å; F409-C455 HydrophobicContact CD2-CB 3.47Å; F409-C455 VanDerWaalsContact CD2-CB 3.47Å; F409-C455 HydrophobicContact CE1-CB 4.2Å; F409-C455 HydrophobicContact CE2-CB 4.03Å; F409-C455 HydrophobicContact CG-CB 3.27Å; F409-C455 HydrophobicContact CZ-CB 4.34Å; F409-R474 VanDerWaalsContact CE1-NE 3.26Å; F409-R474 VanDerWaalsContact CE2-NH2 3.29Å; F409-R474 PolarHBondContact O-NE 3.24Å; F409-R474 VanDerWaalsContact O-NE 3.15Å; F409-A583 WeakPolarHBondContact CE1-O 3.35Å; F409-A583 VanDerWaalsContact CZ-O 3.28Å; F409-A583 WeakPolarHBondContact CZ-O 3.16Å; F409-F584 HydrophobicContact CZ-CD1 4.27Å
410	Y	85.6	Confident	81.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-97.1	-5.5	178	-67.7	-66.7	0	0	0	113.5	I406 D408 F445 F457 L459 T472 R473	I406-Y410 HydrophobicContact CG2-CD2 4.11Å; I406-Y410 PolarHBondContact O-N 3.44Å; D408-Y410 PolarHBondContact O-N 3.19Å; Y410-F445 HydrophobicContact CD2-CE1 4.11Å; Y410-F445 AromaticContact CE2-CE1 3.91Å; Y410-F445 HydrophobicContact CE2-CE1 3.91Å; Y410-F457 PolarHBondContact OH-O 3.35Å; Y410-L459 HydrophobicContact CD1-CD1 3.9Å; Y410-L459 HydrophobicContact CD1-CG 4.43Å; Y410-L459 HydrophobicContact CE1-CD1 3.59Å; Y410-L459 HydrophobicContact CE1-CG 3.93Å; Y410-L459 HydrophobicContact CE2-CG 4.19Å; Y410-L459 PolarHBondContact OH-N 3.04Å; Y410-T472 PolarHBondContact O-N 2.81Å; Y410-R473 PolarHBondContact O-N 2.76Å
411	G	87.7	Confident	82.5	Confident	9 Å²	9	49.7 Å²	49.7	9%	0.093	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	54.1	-175.3	0	0	0	0	0	111.1	V407 D408 T472	V407-G411 CarbonylContact O-C 3.46Å; V407-G411 WeakPolarHBondContact O-CA 3.37Å; V407-G411 PolarHBondContact O-N 2.96Å; D408-G411 PolarHBondContact O-N 3.22Å; G411-T472 WeakPolarHBondContact CA-OG1 3.42Å; G411-T472 WeakPolarHBondContact O-CB 3.47Å; G411-T472 WeakPolarHBondContact O-CG2 3.25Å; G411-T472 PolarHBondContact O-N 3.14Å; G411-T472 VanDerWaalsContact O-N 3.13Å; G411-T472 PolarHBondContact O-OG1 2.98Å
412	M	87	Confident	82.8	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.079	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-68.8	134	-177.1	-58.5	-58.2	-75.3	0	0	110.6	I406 V407 F416 L467 M470 I471	I406-M412 HydrophobicContact CG2-CG 4.32Å; V407-M412 HydrophobicContact CB-CB 4.39Å; V407-M412 HydrophobicContact CG1-CB 4.34Å; V407-M412 HydrophobicContact CG2-CB 4.15Å; V407-M412 HydrophobicContact CG2-CG 4.45Å; V407-M412 PolarHBondContact O-N 3.46Å; M412-F416 HydrophobicContact CB-CB 3.86Å; M412-F416 HydrophobicContact CB-CD1 4Å; M412-F416 HydrophobicContact CB-CG 3.87Å; M412-F416 HydrophobicContact CE-CB 4.12Å; M412-F416 HydrophobicContact CE-CD2 3.19Å; M412-F416 HydrophobicContact CE-CE2 3.69Å; M412-F416 HydrophobicContact CE-CG 3.75Å; M412-F416 HydrophobicContact CG-CD1 4.23Å; M412-F416 HydrophobicContact CG-CD2 4.34Å; M412-F416 HydrophobicContact CG-CG 4.13Å; M412-L467 HydrophobicContact CE-CB 4.5Å; M412-L467 HydrophobicContact CE-CD2 4.05Å; M412-M470 CarbonylContact C-O 3.58Å; M412-M470 WeakPolarHBondContact CA-O 3.44Å; M412-M470 HydrophobicContact CE-CB 3.86Å; M412-I471 HydrophobicContact CE-CG1 4.06Å; M412-I471 HydrophobicContact SD-CB 4.45Å; M412-I471 HydrophobicContact SD-CG1 3.56Å; M412-I471 VanDerWaalsContact SD-CG1 3.56Å
413	K	84.4	Confident	82.9	Confident	108 Å²	108	47.6 Å²	47.6	47%	0.47	28%	0.279	S	S	.	.			trans	-73.1	160.1	172.7	-65.1	178.7	-173.5	161.8	0	111	S415 F416 P469 M470 T472	K413-S415 PolarHBondContact O-N 3.22Å; K413-F416 WeakPolarHBondContact O-CB 3.26Å; K413-F416 PolarHBondContact O-N 3.23Å; K413-P469 PolarHBondContact NZ-O 3.05Å; K413-P469 VanDerWaalsContact NZ-O 3.1Å; K413-M470 PolarHBondContact N-O 3.01Å; K413-T472 HydrophobicContact CD-CG2 4.24Å; K413-T472 HydrophobicContact CG-CG2 3.74Å
414	G	75.4	Confident	82.8	Confident	42 Å²	42	53 Å²	53	43%	0.433	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.4	-16.9	-178.4	0	0	0	0	0	116.3	F416 D417	G414-F416 PolarHBondContact O-N 3.28Å; G414-D417 WeakPolarHBondContact CA-OD2 3.32Å; G414-D417 VanDerWaalsContact O-CB 3.31Å; G414-D417 WeakPolarHBondContact O-CB 3.1Å; G414-D417 PolarHBondContact O-N 3.39Å; G414-D417 VanDerWaalsContact O-N 3.07Å
415	S	77.5	Confident	82.2	Confident	53 Å²	53	50.8 Å²	50.8	37%	0.371	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.9	-29.3	169.8	55.2	0	0	0	0	112.8	K413 D417 H418 M470	K413-S415 PolarHBondContact O-N 3.22Å; S415-D417 PolarHBondContact O-N 3.33Å; S415-H418 PolarHBondContact O-N 2.56Å; S415-M470 WeakPolarHBondContact OG-CG 3.31Å; S415-M470 PolarHBondContact OG-SD 3.05Å
416	F	81.7	Confident	81.2	Confident	5 Å²	5	54 Å²	54	2%	0.022	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.6	-35.3	173.2	-177.7	-102.6	0	0	0	111.7	I406 V407 M412 K413 G414 H418 L419 L421 F445 L467 M470	I406-F416 HydrophobicContact CG2-CE1 4.43Å; I406-F416 HydrophobicContact CG2-CZ 4.02Å; V407-F416 HydrophobicContact CG2-CD1 3.7Å; V407-F416 HydrophobicContact CG2-CE1 3.76Å; M412-F416 HydrophobicContact CB-CB 3.86Å; M412-F416 HydrophobicContact CB-CD1 4Å; M412-F416 HydrophobicContact CB-CG 3.87Å; M412-F416 HydrophobicContact CE-CB 4.12Å; M412-F416 HydrophobicContact CE-CD2 3.19Å; M412-F416 HydrophobicContact CE-CE2 3.69Å; M412-F416 HydrophobicContact CE-CG 3.75Å; M412-F416 HydrophobicContact CG-CD1 4.23Å; M412-F416 HydrophobicContact CG-CD2 4.34Å; M412-F416 HydrophobicContact CG-CG 4.13Å; K413-F416 WeakPolarHBondContact O-CB 3.26Å; K413-F416 PolarHBondContact O-N 3.23Å; G414-F416 PolarHBondContact O-N 3.28Å; F416-H418 PolarHBondContact O-N 2.79Å; F416-H418 VanDerWaalsContact O-N 3.11Å; F416-L419 HydrophobicContact CD2-CD1 3.79Å; F416-L419 HydrophobicContact CE2-CD1 4.31Å; F416-L419 WeakPolarHBondContact O-CB 3.2Å; F416-L419 PolarHBondContact O-N 3.48Å; F416-L421 HydrophobicContact CE1-CD1 4.23Å; F416-L421 HydrophobicContact CE2-CD2 4.42Å; F416-L421 HydrophobicContact CZ-CD1 3.85Å; F416-L421 HydrophobicContact CZ-CD2 4.43Å; F416-F445 AromaticContact CE2-CE2 3.96Å; F416-F445 HydrophobicContact CE2-CE2 3.96Å; F416-F445 HydrophobicContact CE2-CZ 4.28Å; F416-F445 HydrophobicContact CZ-CE2 4.11Å; F416-F445 HydrophobicContact CZ-CZ 4.48Å; F416-L467 HydrophobicContact CD2-CD2 4.18Å; F416-L467 HydrophobicContact CE2-CD2 4.16Å; F416-M470 HydrophobicContact CB-SD 4.12Å
417	D	77.3	Confident	80.2	Confident	81 Å²	81	56.9 Å²	56.9	43%	0.433	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.8	-15.1	179.9	-56.4	-29.6	0	0	0	112.1	K398 G414 S415	K398-D417 WeakPolarHBondContact CD-O 3.26Å; K398-D417 WeakPolarHBondContact CE-O 3.48Å; K398-D417 PolarHBondContact NZ-O 3.17Å; G414-D417 WeakPolarHBondContact CA-OD2 3.32Å; G414-D417 VanDerWaalsContact O-CB 3.31Å; G414-D417 WeakPolarHBondContact O-CB 3.1Å; G414-D417 PolarHBondContact O-N 3.39Å; G414-D417 VanDerWaalsContact O-N 3.07Å; S415-D417 PolarHBondContact O-N 3.33Å
418	H	76.3	Confident	78.7	Confident	154 Å²	154	60.4 Å²	60.4	71%	0.713	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-94.1	-5.5	175.5	-60.9	-62.4	0	0	0	113.4	S415 F416	S415-H418 PolarHBondContact O-N 2.56Å; F416-H418 PolarHBondContact O-N 2.79Å; F416-H418 VanDerWaalsContact O-N 3.11Å
419	L	80	Confident	77.3	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.126	34%	0.342	C	S	.	.	S	Bend	trans	-74.6	133.2	-178.7	-65.1	-178.3	0	0	0	112.2	F416 L421 F466 L467 M470	F416-L419 HydrophobicContact CD2-CD1 3.79Å; F416-L419 HydrophobicContact CE2-CD1 4.31Å; F416-L419 WeakPolarHBondContact O-CB 3.2Å; F416-L419 PolarHBondContact O-N 3.48Å; L419-L421 HydrophobicContact CB-CD2 4.34Å; L419-L421 PolarHBondContact O-N 3.3Å; L419-F466 HydrophobicContact CD1-CD1 4.48Å; L419-F466 HydrophobicContact CD1-CE1 3.65Å; L419-F466 HydrophobicContact CD1-CZ 4.39Å; L419-F466 HydrophobicContact CD2-CE1 3.48Å; L419-F466 VanDerWaalsContact CD2-CE1 3.48Å; L419-F466 HydrophobicContact CD2-CZ 3.48Å; L419-F466 VanDerWaalsContact CD2-CZ 3.48Å; L419-F466 HydrophobicContact CG-CE1 4.22Å; L419-L467 HydrophobicContact CD1-CD2 3.99Å; L419-M470 HydrophobicContact CD1-CE 4.02Å; L419-M470 HydrophobicContact CD1-SD 3.75Å; L419-M470 HydrophobicContact CD2-CE 4.15Å; L419-M470 HydrophobicContact CG-CE 4.34Å; L419-M470 HydrophobicContact CG-SD 4.34Å
420	P	82.3	Confident	75.7	Confident	98 Å²	98	64.7 Å²	64.7	64%	0.636	36%	0.361	S	S	*	.			trans	-76.3	103.3	171.2	30.5	-31.9	0	0	0	109.5	F395	F395-P420 HydrophobicContact CD1-CB 4.15Å; F395-P420 HydrophobicContact CE1-CB 3.82Å
421	L	83.6	Confident	74.2	Confident	18 Å²	18	73.7 Å²	73.7	9%	0.094	40%	0.4	C	S	.	.			trans	-91.1	131.3	177.7	-58.3	178.9	0	0	0	110.3	F395 I396 T403 F416 L419 I444	F395-L421 CarbonylContact C-O 3.36Å; F395-L421 VanDerWaalsContact CA-O 3.27Å; F395-L421 WeakPolarHBondContact CA-O 3.3Å; I396-L421 HydrophobicContact CB-CB 4.25Å; I396-L421 HydrophobicContact CD1-CB 3.8Å; I396-L421 HydrophobicContact CD1-CD1 4.46Å; I396-L421 HydrophobicContact CG1-CB 4.16Å; I396-L421 PolarHBondContact N-O 2.82Å; T403-L421 HydrophobicContact CG2-CD1 3.51Å; F416-L421 HydrophobicContact CE1-CD1 4.23Å; F416-L421 HydrophobicContact CE2-CD2 4.42Å; F416-L421 HydrophobicContact CZ-CD1 3.85Å; F416-L421 HydrophobicContact CZ-CD2 4.43Å; L419-L421 HydrophobicContact CB-CD2 4.34Å; L419-L421 PolarHBondContact O-N 3.3Å; L421-I444 HydrophobicContact CD2-CD1 3.47Å; L421-I444 VanDerWaalsContact CD2-CD1 3.47Å
422	L	82.8	Confident	72.7	Confident	61 Å²	61	75.6 Å²	75.6	32%	0.319	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.3	177.8	-75.4	167.6	0	0	0	110.6	F393 F395 A440	F393-L422 HydrophobicContact CB-CD2 4.37Å; F393-L422 HydrophobicContact CD1-CB 4.39Å; F395-L422 HydrophobicContact CB-CD2 4.39Å; F395-L422 HydrophobicContact CD1-CD2 3.35Å; F395-L422 HydrophobicContact CD1-CG 3.69Å; F395-L422 HydrophobicContact CD2-CD2 3.92Å; F395-L422 HydrophobicContact CE1-CD1 3.97Å; F395-L422 HydrophobicContact CE1-CD2 3.37Å; F395-L422 HydrophobicContact CE1-CG 3.51Å; F395-L422 HydrophobicContact CE2-CD2 3.96Å; F395-L422 HydrophobicContact CG-CD2 3.63Å; F395-L422 HydrophobicContact CG-CG 4.46Å; F395-L422 HydrophobicContact CZ-CD1 4.32Å; F395-L422 HydrophobicContact CZ-CD2 3.7Å; F395-L422 HydrophobicContact CZ-CG 4.18Å; L422-A440 HydrophobicContact CD1-CB 3.94Å
423	V	80.2	Confident	71.5	Confident	64 Å²	64	76.2 Å²	76.2	39%	0.388	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.5	168.4	-72.8	0	0	0	0	110.3	F393 V394 I396	F393-V423 WeakPolarHBondContact CA-O 3.31Å; V394-V423 PolarHBondContact N-O 3.47Å; V394-V423 PolarHBondContact O-N 3.32Å; I396-V423 HydrophobicContact CD1-CB 4.45Å; I396-V423 HydrophobicContact CD1-CG1 3.34Å; I396-V423 HydrophobicContact CD1-CG2 4.48Å; I396-V423 HydrophobicContact CG1-CB 4.13Å; I396-V423 HydrophobicContact CG1-CG1 3.52Å; I396-V423 HydrophobicContact CG1-CG2 3.7Å
424	R	78.3	Confident	70.5	Confident	122 Å²	122	73.2 Å²	73.2	46%	0.46	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.5	167.7	-154.2	177.1	-177.2	171.3	-4.4	108.5	K390 D391	K390-R424 PolarHBondContact O-NH2 2.9Å; D391-R424 HydrophobicContact CB-CG 3.74Å; D391-R424 WeakPolarHBondContact O-CG 3.37Å; D391-R424 PolarHBondContact O-NE 3Å; D391-R424 VanDerWaalsContact O-NE 3.11Å
425	S	71.4	Confident	70.2	Confident	14 Å²	14	72.7 Å²	72.7	10%	0.098	39%	0.393	C	S	.	.			trans	-89.7	129.8	-176.9	176.8	0	0	0	0	110.4	D391 P392 D427	D391-S425 CarbonylContact C-O 3.53Å; D391-S425 WeakPolarHBondContact CA-O 3.37Å; D391-S425 VanDerWaalsContact CB-O 3.23Å; D391-S425 WeakPolarHBondContact CB-O 3.46Å; P392-S425 WeakPolarHBondContact CD-O 3.37Å; P392-S425 PolarHBondContact O-N 2.59Å; S425-D427 WeakPolarHBondContact OG-CB 3.23Å; S425-D427 PolarHBondContact OG-N 3.31Å
426	S	66.1	Low	70.3	Confident	102 Å²	102	72.4 Å²	72.4	71%	0.713	39%	0.387	S	S	*	.			trans	-78.9	-8.6	170.1	58	0	0	0	0	113.6	D391 N428	D391-S426 WeakPolarHBondContact OD1-CA 3.5Å; S426-N428 PolarHBondContact O-N 3.46Å
427	D	63.7	Low	70.3	Confident	70 Å²	70	73.6 Å²	73.6	37%	0.374	39%	0.393	S	S	.	.			trans	-80	102.1	178.8	-176.2	2.8	0	0	0	110.3	S425 S429 K430	S425-D427 WeakPolarHBondContact OG-CB 3.23Å; S425-D427 PolarHBondContact OG-N 3.31Å; D427-S429 PolarHBondContact O-N 2.77Å; D427-S429 VanDerWaalsContact OD1-CB 3.24Å; D427-S429 WeakPolarHBondContact OD1-CB 3.46Å; D427-S429 PolarHBondContact OD1-N 3.39Å; D427-S429 PolarHBondContact OD1-OG 2.88Å; D427-S429 PolarHBondContact OD2-OG 2.68Å; D427-K430 HydrophobicContact CB-CG 4.31Å; D427-K430 WeakPolarHBondContact O-CB 3.38Å; D427-K430 PolarHBondContact O-N 3.47Å
428	N	57.8	Low	70.7	Confident	118 Å²	118	70.4 Å²	70.4	63%	0.631	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.5	177.2	-71.8	-21.6	0	0	0	113.5	S426 K430	S426-N428 PolarHBondContact O-N 3.46Å; N428-K430 PolarHBondContact O-N 3.35Å
429	S	57.5	Low	71.2	Confident	100 Å²	100	64.9 Å²	64.9	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21	172.4	75.1	0	0	0	0	111.9	D427	D427-S429 PolarHBondContact O-N 2.77Å; D427-S429 VanDerWaalsContact OD1-CB 3.24Å; D427-S429 WeakPolarHBondContact OD1-CB 3.46Å; D427-S429 PolarHBondContact OD1-N 3.39Å; D427-S429 PolarHBondContact OD1-OG 2.88Å; D427-S429 PolarHBondContact OD2-OG 2.68Å
430	K	53.2	Low	71.4	Confident	99 Å²	99	64.5 Å²	64.5	43%	0.43	35%	0.352	S	S	.	.	S	Bend	trans	-74.5	133	174.2	-59.9	-165.2	-179.5	-177.1	0	109.6	P392 V394 D427 N428	P392-K430 HydrophobicContact CG-CB 4.48Å; V394-K430 HydrophobicContact CB-CD 4.49Å; V394-K430 HydrophobicContact CG1-CD 4.04Å; V394-K430 HydrophobicContact CG2-CB 4.07Å; V394-K430 HydrophobicContact CG2-CD 4Å; D427-K430 HydrophobicContact CB-CG 4.31Å; D427-K430 WeakPolarHBondContact O-CB 3.38Å; D427-K430 PolarHBondContact O-N 3.47Å; N428-K430 PolarHBondContact O-N 3.35Å
431	K	54.4	Low	71.5	Confident	189 Å²	189	60.5 Å²	60.5	82%	0.822	33%	0.329	S	S	*	.			trans	-32.1	133.9	-170	-63.2	176.6	179.2	177.1	0	114.3	N433	K431-N433 PolarHBondContact O-N 3.37Å
432	A	56.4	Low	71.5	Confident	49 Å²	49	61 Å²	61	41%	0.405	33%	0.331	S	S	.	.			trans	-60.9	131.4	168.6	0	0	0	0	0	110.3
433	N	61	Low	71.7	Confident	30 Å²	30	65.2 Å²	65.2	16%	0.16	34%	0.343	C	S	.	.			trans	-71.5	138.9	171.9	-69.8	-29.7	0	0	0	109.5	V389 K431 Y435	V389-N433 HydrophobicContact CG2-CB 4.48Å; K431-N433 PolarHBondContact O-N 3.37Å; N433-Y435 WeakPolarHBondContact CB-O 3.44Å; N433-Y435 PolarHBondContact O-N 3.05Å
434	I	63.5	Low	71.9	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.226	33%	0.331	C	S	.	.	S	Bend	trans	-60.2	-33.9	172.2	-61.9	172.6	0	0	0	110.3	P196 V199 T383	P196-I434 HydrophobicContact CB-CG2 3.96Å; P196-I434 HydrophobicContact CG-CG2 3.72Å; V199-I434 HydrophobicContact CB-CD1 4.11Å; T383-I434 HydrophobicContact CG2-CG2 4.02Å
435	Y	70.1	Confident	72.1	Confident	32 Å²	32	59.1 Å²	59.1	13%	0.125	32%	0.315	C	S	.	.	S	Bend	trans	-106.1	144.3	175.9	-57.7	-86.5	0	0	0	110.5	T188 M190 M195 P196 T198 N433 I437	T188-Y435 HydrophobicContact CG2-CD1 4.29Å; T188-Y435 HydrophobicContact CG2-CG 4.2Å; M190-Y435 HydrophobicContact CG-CD1 4.33Å; M195-Y435 HydrophobicContact CE-CD1 3.68Å; M195-Y435 HydrophobicContact CE-CE1 3.39Å; M195-Y435 HydrophobicContact CG-CE1 4.47Å; M195-Y435 HydrophobicContact SD-CD1 3.91Å; M195-Y435 HydrophobicContact SD-CE1 3.69Å; P196-Y435 HydrophobicContact CG-CD1 3.81Å; P196-Y435 HydrophobicContact CG-CE1 3.44Å; P196-Y435 VanDerWaalsContact CG-CE1 3.44Å; P196-Y435 PolarHBondContact O-OH 2.94Å; T198-Y435 HydrophobicContact CG2-CE2 3.93Å; T198-Y435 WeakPolarHBondContact CG2-OH 3.12Å; N433-Y435 WeakPolarHBondContact CB-O 3.44Å; N433-Y435 PolarHBondContact O-N 3.05Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 2.96Å
436	L	78.9	Confident	72.7	Confident	47 Å²	47	59 Å²	59	25%	0.246	32%	0.316	C	S	.	.			trans	-72.5	94.2	161.5	178.5	58.5	0	0	0	108.9	T188 N189 M190 V389 I438	T188-L436 CarbonylContact C-O 3.52Å; T188-L436 WeakPolarHBondContact CA-O 3.39Å; N189-L436 HydrophobicContact CB-CD2 3.95Å; N189-L436 HydrophobicContact CB-CG 4.17Å; N189-L436 PolarHBondContact N-O 3.19Å; N189-L436 WeakPolarHBondContact O-CB 3.45Å; N189-L436 WeakPolarHBondContact OD1-CD2 3.27Å; M190-L436 HydrophobicContact SD-CB 4.05Å; M190-L436 PolarHBondContact SD-N 3.25Å; V389-L436 HydrophobicContact CG1-CD1 3.99Å; V389-L436 HydrophobicContact CG2-CD1 4.19Å; L436-I438 HydrophobicContact CG-CD1 4.19Å
437	I	82.6	Confident	73.3	Confident	30 Å²	30	63.3 Å²	63.3	15%	0.154	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.2	179.2	-59.1	175.6	0	0	0	109.1	V186 F393 Y435 N439 A440	V186-I437 HydrophobicContact CG1-CG1 4.38Å; V186-I437 HydrophobicContact CG1-CG2 4.02Å; F393-I437 HydrophobicContact CD2-CB 3.96Å; F393-I437 HydrophobicContact CD2-CG2 3.47Å; F393-I437 VanDerWaalsContact CD2-CG2 3.47Å; F393-I437 HydrophobicContact CE2-CB 4.36Å; F393-I437 HydrophobicContact CE2-CG2 3.65Å; F393-I437 HydrophobicContact CG-CG2 4.36Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 2.96Å; I437-N439 WeakPolarHBondContact CG2-O 3.47Å; I437-A440 HydrophobicContact CG2-CB 4.03Å
438	I	84.4	Confident	73.7	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-37.8	174.8	-56.8	-56.1	0	0	0	110.5	N166 C169 Y170 V173 V187 N189 L436	N166-I438 WeakPolarHBondContact ND2-CD1 3.37Å; C169-I438 HydrophobicContact CB-CB 4.33Å; C169-I438 HydrophobicContact CB-CG1 3.89Å; C169-I438 HydrophobicContact CB-CG2 4.13Å; Y170-I438 HydrophobicContact CD1-CG2 4.42Å; Y170-I438 HydrophobicContact CE1-CG2 4.16Å; V173-I438 HydrophobicContact CG2-CG2 4.1Å; V187-I438 HydrophobicContact CB-CB 4.47Å; V187-I438 HydrophobicContact CG1-CB 4.14Å; V187-I438 PolarHBondContact O-N 2.63Å; N189-I438 HydrophobicContact CB-CD1 3.7Å; N189-I438 HydrophobicContact CB-CG1 3.61Å; L436-I438 HydrophobicContact CG-CD1 4.19Å
439	N	86.8	Confident	74	Confident	39 Å²	39	62 Å²	62	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	145.5	175.2	-164.3	-60.3	0	0	0	110.9	V173 L177 V186 V187 I437 G441	V173-N439 HydrophobicContact CG1-CB 4.29Å; V173-N439 HydrophobicContact CG2-CB 3.62Å; L177-N439 HydrophobicContact CD1-CB 3.89Å; L177-N439 VanDerWaalsContact CD1-ND2 3.29Å; L177-N439 WeakPolarHBondContact CD1-ND2 3.27Å; L177-N439 WeakPolarHBondContact CD1-OD1 3.32Å; V186-N439 WeakPolarHBondContact CA-O 3.36Å; V187-N439 HydrophobicContact CB-CB 4.32Å; V187-N439 PolarHBondContact N-O 3.36Å; V187-N439 PolarHBondContact O-N 2.84Å; I437-N439 WeakPolarHBondContact CG2-O 3.47Å; N439-G441 PolarHBondContact OD1-O 2.85Å
440	A	85.1	Confident	74.1	Confident	15 Å²	15	60.2 Å²	60.2	12%	0.124	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.2	170.8	0	0	0	0	0	110.4	V186 F393 L422 I437	V186-A440 HydrophobicContact CG2-CB 4.13Å; F393-A440 HydrophobicContact CD1-CB 4.08Å; F393-A440 HydrophobicContact CD2-CB 4.48Å; F393-A440 HydrophobicContact CE1-CB 4.32Å; F393-A440 HydrophobicContact CG-CB 4.16Å; L422-A440 HydrophobicContact CD1-CB 3.94Å; I437-A440 HydrophobicContact CG2-CB 4.03Å
441	G	84	Confident	74.1	Confident	15 Å²	15	65.5 Å²	65.5	16%	0.155	34%	0.337	C	S	.	.	S	Bend	trans	78.2	-165.6	171.8	0	0	0	0	0	115	C185 N439	C185-G441 PolarHBondContact O-N 2.8Å; C185-G441 VanDerWaalsContact O-N 3.09Å; N439-G441 PolarHBondContact OD1-O 2.85Å
442	L	84.6	Confident	74.2	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.141	31%	0.306	C	S	.	.			trans	-102.4	135.2	-176.1	-177.2	64.6	0	0	0	110.8	G181 P183 I444 E462	G181-L442 WeakPolarHBondContact O-CD2 3.49Å; P183-L442 HydrophobicContact CB-CB 4Å; L442-I444 PolarHBondContact O-N 3.41Å; L442-I444 VanDerWaalsContact O-N 3.14Å; L442-E462 HydrophobicContact CD1-CB 4.01Å
443	R	85.4	Confident	74.1	Confident	150 Å²	150	62.8 Å²	62.8	57%	0.566	32%	0.322	S	S	*	.			trans	-72.7	110.2	173.8	-173.3	-176.7	-179.2	-179.3	1	110.1	F445 A460 G463	R443-F445 PolarHBondContact NE-O 3.35Å; R443-A460 HydrophobicContact CG-CB 4.06Å; R443-A460 WeakPolarHBondContact O-CB 3.11Å; R443-G463 PolarHBondContact O-N 2.83Å
444	I	84	Confident	74.5	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.149	34%	0.342	C	S	.	.			trans	-101.8	-27.9	178.4	51.2	166.4	0	0	0	113.2	L421 L442 A460 L467	L421-I444 HydrophobicContact CD2-CD1 3.47Å; L421-I444 VanDerWaalsContact CD2-CD1 3.47Å; L442-I444 PolarHBondContact O-N 3.41Å; L442-I444 VanDerWaalsContact O-N 3.14Å; I444-A460 PolarHBondContact O-N 2.9Å; I444-L467 HydrophobicContact CB-CD1 3.87Å; I444-L467 HydrophobicContact CB-CG 4.35Å; I444-L467 HydrophobicContact CG2-CD1 4.4Å; I444-L467 HydrophobicContact CG2-CG 4.34Å
445	F	84.3	Confident	75.3	Confident	29 Å²	29	63.7 Å²	63.7	13%	0.127	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.6	176.8	-64.7	-77	0	0	0	111.8	I406 Y410 F416 R443 F457 R458 L459 L467	I406-F445 HydrophobicContact CD1-CD2 4.26Å; I406-F445 HydrophobicContact CD1-CE2 4.32Å; I406-F445 HydrophobicContact CD1-CG 4.41Å; I406-F445 HydrophobicContact CG2-CE1 3.85Å; I406-F445 HydrophobicContact CG2-CE2 4.05Å; I406-F445 HydrophobicContact CG2-CZ 3.46Å; I406-F445 VanDerWaalsContact CG2-CZ 3.46Å; Y410-F445 HydrophobicContact CD2-CE1 4.11Å; Y410-F445 AromaticContact CE2-CE1 3.91Å; Y410-F445 HydrophobicContact CE2-CE1 3.91Å; F416-F445 AromaticContact CE2-CE2 3.96Å; F416-F445 HydrophobicContact CE2-CE2 3.96Å; F416-F445 HydrophobicContact CE2-CZ 4.28Å; F416-F445 HydrophobicContact CZ-CE2 4.11Å; F416-F445 HydrophobicContact CZ-CZ 4.48Å; R443-F445 PolarHBondContact NE-O 3.35Å; F445-F457 HydrophobicContact CB-CB 4.36Å; F445-F457 HydrophobicContact CB-CD1 4.3Å; F445-F457 HydrophobicContact CD1-CB 4.29Å; F445-R458 CarbonylContact C-O 3.49Å; F445-R458 VanDerWaalsContact CA-O 3.29Å; F445-R458 WeakPolarHBondContact CA-O 3.26Å; F445-L459 HydrophobicContact CD1-CD2 4Å; F445-L459 HydrophobicContact CD1-CG 4.5Å; F445-L459 HydrophobicContact CE1-CD2 3.35Å; F445-L459 HydrophobicContact CE1-CG 4.08Å; F445-L459 HydrophobicContact CZ-CD2 3.94Å; F445-L467 HydrophobicContact CE1-CD1 4.12Å; F445-L467 HydrophobicContact CE2-CD1 3.76Å; F445-L467 HydrophobicContact CZ-CD1 3.52Å
446	G	82.2	Confident	75.9	Confident	11 Å²	11	65.1 Å²	65.1	11%	0.113	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.1	167.9	0	0	0	0	0	110.3	S448 R458	G446-S448 PolarHBondContact O-N 2.76Å; G446-R458 PolarHBondContact N-O 2.87Å; G446-R458 PolarHBondContact O-N 3.3Å
447	R	79.6	Confident	76.1	Confident	193 Å²	193	64.7 Å²	64.7	73%	0.728	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.6	172.7	-166.2	174.2	-177.7	167.1	4.2	109.4	I456 F457	R447-I456 CarbonylContact C-O 3.36Å; R447-I456 HydrophobicContact CG-CD1 4.4Å; R447-F457 HydrophobicContact CB-CD1 4.43Å; R447-F457 HydrophobicContact CB-CE1 4.27Å; R447-F457 HydrophobicContact CG-CE1 4.49Å
448	S	71.8	Confident	76.1	Confident	31 Å²	31	67.2 Å²	67.2	22%	0.217	34%	0.344	C	S	.	.			trans	-82.2	135.8	172.1	-173.1	0	0	0	0	109.6	G446 A450 I456	G446-S448 PolarHBondContact O-N 2.76Å; S448-A450 PolarHBondContact OG-N 2.83Å; S448-I456 WeakPolarHBondContact CB-O 3.45Å; S448-I456 PolarHBondContact N-O 2.92Å
449	S	63.8	Low	76.1	Confident	131 Å²	131	66.7 Å²	66.7	92%	0.916	34%	0.341	S	S	*	.			trans	-85.5	-15	171.4	55.6	0	0	0	0	112.9
450	A	60.4	Low	75.9	Confident	61 Å²	61	65.5 Å²	65.5	50%	0.504	34%	0.337	S	S	.	.	S	Bend	trans	-60.6	144.9	175.7	0	0	0	0	0	109.1	S448 A452	S448-A450 PolarHBondContact OG-N 2.83Å; A450-A452 PolarHBondContact O-N 3.04Å
451	K	53.4	Low	75.7	Confident	210 Å²	210	66.2 Å²	66.2	91%	0.913	34%	0.338	S	S	*	.			trans	-63.4	74.7	171.2	-69.6	-176.2	178.4	-177.7	0	109.2	E453	K451-E453 PolarHBondContact O-N 3.49Å
452	A	55.2	Low	75.3	Confident	22 Å²	22	69 Å²	69	18%	0.182	35%	0.347	C	S	.	.			trans	-72.1	116.9	172.4	0	0	0	0	0	107.2	A450 T454 C455 I456 F584	A450-A452 PolarHBondContact O-N 3.04Å; A452-T454 PolarHBondContact O-N 3.29Å; A452-C455 WeakPolarHBondContact CB-O 3.14Å; A452-I456 HydrophobicContact CB-CG2 4.41Å; A452-F584 HydrophobicContact CB-CE1 3.43Å; A452-F584 VanDerWaalsContact CB-CE1 3.43Å; A452-F584 HydrophobicContact CB-CZ 3.68Å
453	E	55.7	Low	74.9	Confident	160 Å²	160	67.8 Å²	67.8	75%	0.748	34%	0.34	S	S	*	.	S	Bend	trans	-68	-17.2	178.2	-69.2	176.4	164.7	0	0	112.6	K451 H586	K451-E453 PolarHBondContact O-N 3.49Å; E453-H586 IonicContact OE2-CE1 3.86Å
454	T	69.5	Low	74.6	Confident	92 Å²	92	60.6 Å²	60.6	56%	0.564	31%	0.313	S	S	*	.	S	Bend	trans	-126.5	-62.3	-169.1	47	0	0	0	0	114.1	S405 F409 A452	S405-T454 PolarHBondContact OG-O 3.4Å; F409-T454 WeakPolarHBondContact CE2-OG1 3.3Å; A452-T454 PolarHBondContact O-N 3.29Å
455	C	80.2	Confident	74.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.327	C	S	.	.			trans	-127.4	123	179.3	-178.3	0	0	0	0	111.3	F409 A452 F457 F584	F409-C455 HydrophobicContact CB-CB 3.56Å; F409-C455 HydrophobicContact CD1-CB 3.69Å; F409-C455 HydrophobicContact CD2-CB 3.47Å; F409-C455 VanDerWaalsContact CD2-CB 3.47Å; F409-C455 HydrophobicContact CE1-CB 4.2Å; F409-C455 HydrophobicContact CE2-CB 4.03Å; F409-C455 HydrophobicContact CG-CB 3.27Å; F409-C455 HydrophobicContact CZ-CB 4.34Å; A452-C455 WeakPolarHBondContact CB-O 3.14Å; C455-F457 VanDerWaalsContact C-N 3.29Å; C455-F457 PolarHBondContact O-N 2.98Å; C455-F457 PolarHBondContact SG-N 3.16Å; C455-F457 PolarHBondContact SG-O 3.01Å; C455-F584 WeakPolarHBondContact O-CE1 3.39Å; C455-F584 WeakPolarHBondContact O-CZ 3.49Å
456	I	82.4	Confident	73.8	Confident	62 Å²	62	65.2 Å²	65.2	32%	0.318	33%	0.333	S	S	.	.			trans	-82.1	-6	-179.9	64.2	173.5	0	0	0	113	R447 S448 A452	R447-I456 CarbonylContact C-O 3.36Å; R447-I456 HydrophobicContact CG-CD1 4.4Å; S448-I456 WeakPolarHBondContact CB-O 3.45Å; S448-I456 PolarHBondContact N-O 2.92Å; A452-I456 HydrophobicContact CB-CG2 4.41Å
457	F	84	Confident	73.7	Confident	39 Å²	39	64.7 Å²	64.7	17%	0.171	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.3	-179.6	-66.3	-82.4	0	0	0	110.8	A402 I406 Y410 F445 R447 C455	A402-F457 HydrophobicContact CB-CE2 3.69Å; A402-F457 HydrophobicContact CB-CZ 4.2Å; I406-F457 HydrophobicContact CD1-CB 3.97Å; I406-F457 HydrophobicContact CD1-CD2 3.77Å; I406-F457 HydrophobicContact CD1-CE2 4.43Å; I406-F457 HydrophobicContact CD1-CG 3.85Å; I406-F457 HydrophobicContact CG1-CB 3.93Å; I406-F457 HydrophobicContact CG1-CD2 3.91Å; I406-F457 HydrophobicContact CG1-CG 4.16Å; Y410-F457 PolarHBondContact OH-O 3.35Å; F445-F457 HydrophobicContact CB-CB 4.36Å; F445-F457 HydrophobicContact CB-CD1 4.3Å; F445-F457 HydrophobicContact CD1-CB 4.29Å; R447-F457 HydrophobicContact CB-CD1 4.43Å; R447-F457 HydrophobicContact CB-CE1 4.27Å; R447-F457 HydrophobicContact CG-CE1 4.49Å; C455-F457 VanDerWaalsContact C-N 3.29Å; C455-F457 PolarHBondContact O-N 2.98Å; C455-F457 PolarHBondContact SG-N 3.16Å; C455-F457 PolarHBondContact SG-O 3.01Å
458	R	82.5	Confident	73.7	Confident	82 Å²	82	57.6 Å²	57.6	31%	0.309	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.3	176	160.8	169.2	157.6	-165.3	-11	109.8	F445 G446 A460 Y528 A583 F584	F445-R458 CarbonylContact C-O 3.49Å; F445-R458 VanDerWaalsContact CA-O 3.29Å; F445-R458 WeakPolarHBondContact CA-O 3.26Å; G446-R458 PolarHBondContact N-O 2.87Å; G446-R458 PolarHBondContact O-N 3.3Å; R458-A460 PolarHBondContact O-N 2.87Å; R458-Y528 HydrophobicContact CG-CE2 4.37Å; R458-Y528 PolarHBondContact NH1-OH 3.31Å; R458-Y528 VanDerWaalsContact NH1-OH 3.15Å; R458-A583 HydrophobicContact CB-CB 4.24Å; R458-A583 HydrophobicContact CG-CB 3.7Å; R458-F584 HydrophobicContact CB-CE2 4.49Å
459	L	82.5	Confident	74	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.2	171.5	-67.8	164.9	0	0	0	111.2	Y410 F445 L467 I471 T517 I581	Y410-L459 HydrophobicContact CD1-CD1 3.9Å; Y410-L459 HydrophobicContact CD1-CG 4.43Å; Y410-L459 HydrophobicContact CE1-CD1 3.59Å; Y410-L459 HydrophobicContact CE1-CG 3.93Å; Y410-L459 HydrophobicContact CE2-CG 4.19Å; Y410-L459 PolarHBondContact OH-N 3.04Å; F445-L459 HydrophobicContact CD1-CD2 4Å; F445-L459 HydrophobicContact CD1-CG 4.5Å; F445-L459 HydrophobicContact CE1-CD2 3.35Å; F445-L459 HydrophobicContact CE1-CG 4.08Å; F445-L459 HydrophobicContact CZ-CD2 3.94Å; L459-L467 HydrophobicContact CD2-CD1 3.46Å; L459-L467 VanDerWaalsContact CD2-CD1 3.46Å; L459-I471 HydrophobicContact CD1-CD1 3.77Å; L459-I471 HydrophobicContact CD2-CD1 4Å; L459-T517 HydrophobicContact CB-CG2 3.88Å; L459-I581 HydrophobicContact CD1-CB 4.08Å; L459-I581 HydrophobicContact CD1-CD1 4.41Å; L459-I581 HydrophobicContact CD1-CG2 3.33Å
460	A	82.9	Confident	75	Confident	14 Å²	14	54.6 Å²	54.6	12%	0.116	28%	0.278	C	S	.	.			trans	-87.1	139.6	169.4	0	0	0	0	0	109.4	R443 I444 R458 E462 G463 V464	R443-A460 HydrophobicContact CG-CB 4.06Å; R443-A460 WeakPolarHBondContact O-CB 3.11Å; I444-A460 PolarHBondContact O-N 2.9Å; R458-A460 PolarHBondContact O-N 2.87Å; A460-E462 VanDerWaalsContact C-N 3.27Å; A460-E462 PolarHBondContact O-N 2.97Å; A460-G463 PolarHBondContact O-N 3Å; A460-V464 PolarHBondContact O-N 3.24Å
461	Q	80.6	Confident	76.2	Confident	31 Å²	31	52.3 Å²	52.3	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-39.3	179.7	-175.6	62.3	27.1	0	0	111.9	G463 V464 I515 T517 L529 Y537	Q461-G463 PolarHBondContact O-N 3.32Å; Q461-V464 VanDerWaalsContact O-CG1 3.27Å; Q461-V464 WeakPolarHBondContact O-CG1 3.29Å; Q461-V464 PolarHBondContact O-N 3.02Å; Q461-I515 PolarHBondContact NE2-O 3.46Å; Q461-T517 PolarHBondContact OE1-OG1 3.45Å; Q461-L529 HydrophobicContact CB-CD2 4.43Å; Q461-L529 HydrophobicContact CG-CD2 3.54Å; Q461-Y537 PolarHBondContact NE2-OH 3.22Å
462	E	77.3	Confident	77.6	Confident	74 Å²	74	46.2 Å²	46.2	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-56.1	-38	-178	-62.5	170.5	-170.4	0	0	112.7	L442 A460	L442-E462 HydrophobicContact CD1-CB 4.01Å; A460-E462 VanDerWaalsContact C-N 3.27Å; A460-E462 PolarHBondContact O-N 2.97Å
463	G	76.3	Confident	79.1	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-100.4	0.3	-178.2	0	0	0	0	0	115.3	R443 A460 Q461 H465 F466 L467	R443-G463 PolarHBondContact O-N 2.83Å; A460-G463 PolarHBondContact O-N 3Å; Q461-G463 PolarHBondContact O-N 3.32Å; G463-H465 PolarHBondContact O-N 2.96Å; G463-F466 WeakPolarHBondContact O-CB 3.26Å; G463-F466 PolarHBondContact O-N 3.42Å; G463-L467 PolarHBondContact O-N 3.34Å; G463-L467 VanDerWaalsContact O-N 3.17Å
464	V	78.6	Confident	80.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-38.5	-170.8	78	0	0	0	0	112.2	A460 Q461 F466 L467 F468 I515 T517 I581	A460-V464 PolarHBondContact O-N 3.24Å; Q461-V464 VanDerWaalsContact O-CG1 3.27Å; Q461-V464 WeakPolarHBondContact O-CG1 3.29Å; Q461-V464 PolarHBondContact O-N 3.02Å; V464-F466 PolarHBondContact O-N 3.02Å; V464-L467 PolarHBondContact O-N 3.19Å; V464-L467 VanDerWaalsContact O-N 3.15Å; V464-F468 VanDerWaalsContact O-CB 3.3Å; V464-F468 WeakPolarHBondContact O-CB 3.46Å; V464-F468 PolarHBondContact O-N 3.11Å; V464-I515 HydrophobicContact CB-CG2 4.46Å; V464-I515 HydrophobicContact CG1-CB 4.36Å; V464-I515 HydrophobicContact CG1-CG2 3.82Å; V464-I515 HydrophobicContact CG2-CG2 3.79Å; V464-T517 HydrophobicContact CB-CG2 3.75Å; V464-T517 HydrophobicContact CG1-CG2 4.29Å; V464-T517 HydrophobicContact CG2-CG2 3.45Å; V464-T517 VanDerWaalsContact CG2-CG2 3.45Å; V464-I581 HydrophobicContact CG2-CD1 3.34Å; V464-I581 HydrophobicContact CG2-CG1 4.18Å
465	H	76.1	Confident	80.5	Confident	94 Å²	94	43.5 Å²	43.5	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-33.2	178.9	-65.2	-75.7	0	0	0	111.6	G463	G463-H465 PolarHBondContact O-N 2.96Å
466	F	75.7	Confident	80.2	Confident	60 Å²	60	43.5 Å²	43.5	26%	0.263	21%	0.209	S	C	.	.	H	α-helix	trans	-76.2	-39.4	177.1	-176.7	-110.4	0	0	0	113	I154 L419 G463 V464 M470	I154-F466 HydrophobicContact CD1-CD2 3.81Å; I154-F466 HydrophobicContact CD1-CE1 4.17Å; I154-F466 HydrophobicContact CD1-CE2 3.02Å; I154-F466 HydrophobicContact CD1-CZ 3.22Å; I154-F466 HydrophobicContact CG1-CD2 4.28Å; I154-F466 HydrophobicContact CG1-CE2 3.78Å; I154-F466 HydrophobicContact CG1-CZ 4.41Å; L419-F466 HydrophobicContact CD1-CD1 4.48Å; L419-F466 HydrophobicContact CD1-CE1 3.65Å; L419-F466 HydrophobicContact CD1-CZ 4.39Å; L419-F466 HydrophobicContact CD2-CE1 3.48Å; L419-F466 VanDerWaalsContact CD2-CE1 3.48Å; L419-F466 HydrophobicContact CD2-CZ 3.48Å; L419-F466 VanDerWaalsContact CD2-CZ 3.48Å; L419-F466 HydrophobicContact CG-CE1 4.22Å; G463-F466 WeakPolarHBondContact O-CB 3.26Å; G463-F466 PolarHBondContact O-N 3.42Å; V464-F466 PolarHBondContact O-N 3.02Å; F466-M470 HydrophobicContact CE1-CE 4.26Å; F466-M470 HydrophobicContact CE2-CE 4.47Å; F466-M470 HydrophobicContact CZ-CE 4Å
467	L	79.4	Confident	79.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-80.6	-26.6	-179	-68.4	-176.7	0	0	0	113.7	M412 F416 L419 I444 F445 L459 G463 V464 P469 M470 I471	M412-L467 HydrophobicContact CE-CB 4.5Å; M412-L467 HydrophobicContact CE-CD2 4.05Å; F416-L467 HydrophobicContact CD2-CD2 4.18Å; F416-L467 HydrophobicContact CE2-CD2 4.16Å; L419-L467 HydrophobicContact CD1-CD2 3.99Å; I444-L467 HydrophobicContact CB-CD1 3.87Å; I444-L467 HydrophobicContact CB-CG 4.35Å; I444-L467 HydrophobicContact CG2-CD1 4.4Å; I444-L467 HydrophobicContact CG2-CG 4.34Å; F445-L467 HydrophobicContact CE1-CD1 4.12Å; F445-L467 HydrophobicContact CE2-CD1 3.76Å; F445-L467 HydrophobicContact CZ-CD1 3.52Å; L459-L467 HydrophobicContact CD2-CD1 3.46Å; L459-L467 VanDerWaalsContact CD2-CD1 3.46Å; G463-L467 PolarHBondContact O-N 3.34Å; G463-L467 VanDerWaalsContact O-N 3.17Å; V464-L467 PolarHBondContact O-N 3.19Å; V464-L467 VanDerWaalsContact O-N 3.15Å; L467-P469 VanDerWaalsContact C-CD 3.47Å; L467-M470 WeakPolarHBondContact O-CA 3.5Å; L467-M470 VanDerWaalsContact O-CB 3.31Å; L467-M470 WeakPolarHBondContact O-CB 3.39Å; L467-M470 PolarHBondContact O-N 2.46Å; L467-I471 HydrophobicContact CB-CD1 3.95Å; L467-I471 HydrophobicContact CB-CG1 4.47Å; L467-I471 WeakPolarHBondContact O-CG1 3.28Å; L467-I471 PolarHBondContact O-N 3.46Å
468	F	79.8	Confident	79.2	Confident	44 Å²	44	39.9 Å²	39.9	19%	0.193	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-50.4	-45.5	-172.7	173.6	-106.8	0	0	0	114.3	V464 M470 I471 V475 I515 F579 I581	V464-F468 VanDerWaalsContact O-CB 3.3Å; V464-F468 WeakPolarHBondContact O-CB 3.46Å; V464-F468 PolarHBondContact O-N 3.11Å; F468-M470 PolarHBondContact O-N 3.03Å; F468-I471 PolarHBondContact O-N 2.85Å; F468-I471 VanDerWaalsContact O-N 3.12Å; F468-V475 HydrophobicContact CE2-CG1 3.84Å; F468-I515 HydrophobicContact CB-CD1 3.78Å; F468-I515 HydrophobicContact CB-CG2 4.31Å; F468-I515 HydrophobicContact CD1-CD1 3.41Å; F468-I515 VanDerWaalsContact CD1-CD1 3.41Å; F468-I515 HydrophobicContact CD1-CG1 4.19Å; F468-I515 HydrophobicContact CD2-CD1 4.23Å; F468-I515 HydrophobicContact CD2-CG1 4.36Å; F468-I515 HydrophobicContact CD2-CG2 4.07Å; F468-I515 HydrophobicContact CE1-CD1 3.98Å; F468-I515 HydrophobicContact CE1-CG1 4.39Å; F468-I515 HydrophobicContact CG-CD1 3.54Å; F468-I515 HydrophobicContact CG-CG1 4.15Å; F468-I515 HydrophobicContact CG-CG2 4.27Å; F468-F579 HydrophobicContact CE2-CB 4.13Å; F468-F579 HydrophobicContact CE2-CD1 4.44Å; F468-F579 HydrophobicContact CE2-CG 4.19Å; F468-F579 HydrophobicContact CZ-CB 4.39Å; F468-F579 HydrophobicContact CZ-CD1 4.18Å; F468-F579 HydrophobicContact CZ-CD2 4.14Å; F468-F579 HydrophobicContact CZ-CE2 4.47Å; F468-F579 AromaticContact CZ-CG 3.97Å; F468-F579 HydrophobicContact CZ-CG 3.97Å; F468-I581 HydrophobicContact CB-CD1 4.33Å; F468-I581 HydrophobicContact CD2-CD1 3.71Å; F468-I581 HydrophobicContact CD2-CG1 4.31Å
469	P	78.6	Confident	78.8	Confident	80 Å²	80	38.2 Å²	38.2	52%	0.519	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-59.1	-22.1	177.4	-24.8	35.7	0	0	0	114.3	K413 L467	K413-P469 PolarHBondContact NZ-O 3.05Å; K413-P469 VanDerWaalsContact NZ-O 3.1Å; L467-P469 VanDerWaalsContact C-CD 3.47Å
470	M	84.7	Confident	78.3	Confident	20 Å²	20	41.4 Å²	41.4	10%	0.099	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-95.8	-14.2	-176.4	-44.6	-169.5	-172.6	0	0	113.2	M412 K413 S415 F416 L419 F466 L467 F468	M412-M470 CarbonylContact C-O 3.58Å; M412-M470 WeakPolarHBondContact CA-O 3.44Å; M412-M470 HydrophobicContact CE-CB 3.86Å; K413-M470 PolarHBondContact N-O 3.01Å; S415-M470 WeakPolarHBondContact OG-CG 3.31Å; S415-M470 PolarHBondContact OG-SD 3.05Å; F416-M470 HydrophobicContact CB-SD 4.12Å; L419-M470 HydrophobicContact CD1-CE 4.02Å; L419-M470 HydrophobicContact CD1-SD 3.75Å; L419-M470 HydrophobicContact CD2-CE 4.15Å; L419-M470 HydrophobicContact CG-CE 4.34Å; L419-M470 HydrophobicContact CG-SD 4.34Å; F466-M470 HydrophobicContact CE1-CE 4.26Å; F466-M470 HydrophobicContact CE2-CE 4.47Å; F466-M470 HydrophobicContact CZ-CE 4Å; L467-M470 WeakPolarHBondContact O-CA 3.5Å; L467-M470 VanDerWaalsContact O-CB 3.31Å; L467-M470 WeakPolarHBondContact O-CB 3.39Å; L467-M470 PolarHBondContact O-N 2.46Å; F468-M470 PolarHBondContact O-N 3.03Å
471	I	84.3	Confident	78	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.062	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-87.8	132.6	-177	-65.3	165.5	0	0	0	109.5	M412 L459 L467 F468 R473 V475 I581	M412-I471 HydrophobicContact CE-CG1 4.06Å; M412-I471 HydrophobicContact SD-CB 4.45Å; M412-I471 HydrophobicContact SD-CG1 3.56Å; M412-I471 VanDerWaalsContact SD-CG1 3.56Å; L459-I471 HydrophobicContact CD1-CD1 3.77Å; L459-I471 HydrophobicContact CD2-CD1 4Å; L467-I471 HydrophobicContact CB-CD1 3.95Å; L467-I471 HydrophobicContact CB-CG1 4.47Å; L467-I471 WeakPolarHBondContact O-CG1 3.28Å; L467-I471 PolarHBondContact O-N 3.46Å; F468-I471 PolarHBondContact O-N 2.85Å; F468-I471 VanDerWaalsContact O-N 3.12Å; I471-R473 VanDerWaalsContact CG2-O 3.24Å; I471-R473 WeakPolarHBondContact CG2-O 3.42Å; I471-V475 HydrophobicContact CB-CG2 4.4Å; I471-V475 HydrophobicContact CG2-CG2 3.6Å; I471-I581 HydrophobicContact CD1-CD1 3.66Å; I471-I581 HydrophobicContact CD1-CG2 4.37Å; I471-I581 HydrophobicContact CG2-CG2 4.37Å
472	T	83.7	Confident	78	Confident	83 Å²	83	42.8 Å²	42.8	51%	0.509	22%	0.219	S	C	.	.			trans	-119.5	-17.5	177.5	65.4	0	0	0	0	114.3	Y410 G411 K413	Y410-T472 PolarHBondContact O-N 2.81Å; G411-T472 WeakPolarHBondContact CA-OG1 3.42Å; G411-T472 WeakPolarHBondContact O-CB 3.47Å; G411-T472 WeakPolarHBondContact O-CG2 3.25Å; G411-T472 PolarHBondContact O-N 3.14Å; G411-T472 VanDerWaalsContact O-N 3.13Å; G411-T472 PolarHBondContact O-OG1 2.98Å; K413-T472 HydrophobicContact CD-CG2 4.24Å; K413-T472 HydrophobicContact CG-CG2 3.74Å
473	R	85.4	Confident	78.2	Confident	122 Å²	122	39.2 Å²	39.2	46%	0.46	20%	0.203	S	C	.	.	S	Bend	trans	-111.6	153.3	178	-61.9	175.5	179.2	178.5	-2	110	D408 Y410 I471 V475	D408-R473 PolarHBondContact O-NH1 2.8Å; D408-R473 IonicContact OD1-CZ 3.8Å; D408-R473 IonicContact OD1-NH1 2.66Å; D408-R473 PolarHBondContact OD1-NH1 3.5Å; Y410-R473 PolarHBondContact O-N 2.76Å; I471-R473 VanDerWaalsContact CG2-O 3.24Å; I471-R473 WeakPolarHBondContact CG2-O 3.42Å; R473-V475 VanDerWaalsContact C-N 3.29Å; R473-V475 PolarHBondContact O-N 2.81Å
474	R	78.2	Confident	78.3	Confident	62 Å²	62	39.9 Å²	39.9	23%	0.234	21%	0.207	C	C	.	.	S	Bend	trans	63.3	29.9	174.2	-52.6	173.7	-179.9	-4	1.5	114.6	F409 I581 I582 I585	F409-R474 VanDerWaalsContact CE1-NE 3.26Å; F409-R474 VanDerWaalsContact CE2-NH2 3.29Å; F409-R474 PolarHBondContact O-NE 3.24Å; F409-R474 VanDerWaalsContact O-NE 3.15Å; R474-I581 WeakPolarHBondContact O-CA 3.22Å; R474-I582 HydrophobicContact CB-CB 4.44Å; R474-I582 VanDerWaalsContact CB-O 3.27Å; R474-I582 WeakPolarHBondContact CB-O 3.41Å; R474-I582 PolarHBondContact O-N 3.1Å; R474-I585 HydrophobicContact CG-CD1 4.26Å
475	V	77.2	Confident	78.5	Confident	32 Å²	32	44 Å²	44	19%	0.194	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.3	170.6	-177.6	0	0	0	0	107.8	F468 I471 R473 F579 I581	F468-V475 HydrophobicContact CE2-CG1 3.84Å; I471-V475 HydrophobicContact CB-CG2 4.4Å; I471-V475 HydrophobicContact CG2-CG2 3.6Å; R473-V475 VanDerWaalsContact C-N 3.29Å; R473-V475 PolarHBondContact O-N 2.81Å; V475-F579 HydrophobicContact CG1-CD1 4.32Å; V475-I581 HydrophobicContact CG2-CG1 4.47Å; V475-I581 HydrophobicContact CG2-CG2 4.45Å
476	V	74.1	Confident	78.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.4	178.1	174.7	0	0	0	0	108.7	L502 N506 F579 L580 I582	V476-L502 HydrophobicContact CG1-CD1 3.48Å; V476-L502 VanDerWaalsContact CG1-CD1 3.48Å; V476-L502 HydrophobicContact CG1-CG 4.41Å; V476-N506 VanDerWaalsContact CG2-OD1 3.3Å; V476-N506 WeakPolarHBondContact CG2-OD1 3.48Å; V476-F579 CarbonylContact O-C 3.53Å; V476-L580 HydrophobicContact CB-CB 4.45Å; V476-L580 PolarHBondContact N-O 3.27Å; V476-L580 PolarHBondContact O-N 3.01Å; V476-I582 HydrophobicContact CB-CD1 4.09Å; V476-I582 HydrophobicContact CG2-CD1 3.39Å; V476-I582 HydrophobicContact CG2-CG1 4.32Å
477	T	73.2	Confident	79.2	Confident	22 Å²	22	36.8 Å²	36.8	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.1	170.3	-47.7	0	0	0	0	108.7	C507	T477-C507 PolarHBondContact OG1-O 2.89Å
478	I	73	Confident	79.5	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.1	173.1	-42.3	167.7	0	0	0	108.5	D482 L483 L486 L502 V516 C578 L580	I478-D482 HydrophobicContact CG2-CB 3.43Å; I478-D482 VanDerWaalsContact CG2-CB 3.43Å; I478-L483 HydrophobicContact CD1-CD1 3.91Å; I478-L483 HydrophobicContact CG2-CB 4.14Å; I478-L486 HydrophobicContact CD1-CD1 4.2Å; I478-L486 HydrophobicContact CG2-CD1 4.42Å; I478-L502 HydrophobicContact CB-CD1 4.09Å; I478-L502 HydrophobicContact CG1-CD1 3.74Å; I478-L502 HydrophobicContact CG2-CD1 4.02Å; I478-V516 HydrophobicContact CD1-CG2 3.98Å; I478-C578 HydrophobicContact CB-CB 3.95Å; I478-C578 PolarHBondContact N-O 2.91Å; I478-C578 WeakPolarHBondContact O-CB 3.42Å; I478-L580 HydrophobicContact CD1-CB 3.48Å; I478-L580 VanDerWaalsContact CD1-CB 3.48Å; I478-L580 HydrophobicContact CD1-CD1 4.32Å; I478-L580 HydrophobicContact CD1-CD2 4.24Å; I478-L580 HydrophobicContact CD1-CG 4.23Å; I478-L580 HydrophobicContact CG1-CB 3.58Å
479	T	73.4	Confident	79.4	Confident	48 Å²	48	38.3 Å²	38.3	29%	0.294	20%	0.201	S	C	.	.			trans	-67.3	153.9	169.1	67.8	0	0	0	0	110.5	S481 D482 L483	T479-S481 PolarHBondContact O-N 3.4Å; T479-D482 PolarHBondContact O-N 2.94Å; T479-D482 WeakPolarHBondContact OG1-CB 3.5Å; T479-D482 VanDerWaalsContact OG1-CG 3.3Å; T479-D482 PolarHBondContact OG1-N 3.16Å; T479-D482 PolarHBondContact OG1-OD2 3.03Å; T479-L483 PolarHBondContact O-N 3.24Å
480	M	71.2	Confident	79.1	Confident	68 Å²	68	38.2 Å²	38.2	34%	0.335	20%	0.196	S	C	.	.	H	α-helix	trans	-54.7	-42	174.9	-72	-178.2	72.8	0	0	112.1	D482 L483 T484 L541 A576	M480-D482 PolarHBondContact O-N 3.05Å; M480-L483 PolarHBondContact O-N 2.99Å; M480-T484 WeakPolarHBondContact O-CB 3.32Å; M480-T484 PolarHBondContact O-N 3.36Å; M480-T484 PolarHBondContact O-OG1 2.9Å; M480-L541 HydrophobicContact CE-CD2 3.6Å; M480-A576 HydrophobicContact CE-CB 3.59Å; M480-A576 HydrophobicContact CG-CB 3.86Å; M480-A576 WeakPolarHBondContact CG-O 3.49Å; M480-A576 HydrophobicContact SD-CB 3.52Å; M480-A576 VanDerWaalsContact SD-CB 3.52Å; M480-A576 PolarHBondContact SD-N 3.46Å; M480-A576 VanDerWaalsContact SD-N 3.42Å
481	S	77.2	Confident	78.6	Confident	72 Å²	72	42.8 Å²	42.8	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-58.6	-46.5	179	-177.6	0	0	0	0	111.7	T479 T484 K485	T479-S481 PolarHBondContact O-N 3.4Å; S481-T484 PolarHBondContact O-N 3.06Å; S481-K485 WeakPolarHBondContact O-CG 3.35Å; S481-K485 PolarHBondContact O-N 3.31Å
482	D	80.4	Confident	78.3	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.011	24%	0.237	C	C	.	.	H	α-helix	trans	-72.2	-36.8	179.5	-72	-18.5	0	0	0	112.6	I478 T479 M480 T484 K485 L486 L498 S499	I478-D482 HydrophobicContact CG2-CB 3.43Å; I478-D482 VanDerWaalsContact CG2-CB 3.43Å; T479-D482 PolarHBondContact O-N 2.94Å; T479-D482 WeakPolarHBondContact OG1-CB 3.5Å; T479-D482 VanDerWaalsContact OG1-CG 3.3Å; T479-D482 PolarHBondContact OG1-N 3.16Å; T479-D482 PolarHBondContact OG1-OD2 3.03Å; M480-D482 PolarHBondContact O-N 3.05Å; D482-T484 VanDerWaalsContact C-N 3.35Å; D482-K485 PolarHBondContact O-N 2.73Å; D482-K485 IonicContact OD1-NZ 2.85Å; D482-K485 PolarHBondContact OD1-NZ 3.43Å; D482-L486 WeakPolarHBondContact O-CB 3.3Å; D482-L486 VanDerWaalsContact O-CG 3.29Å; D482-L486 WeakPolarHBondContact O-CG 3.34Å; D482-L486 PolarHBondContact O-N 3.44Å; D482-L498 HydrophobicContact CB-CD2 3.92Å; D482-L498 WeakPolarHBondContact OD1-CA 3.38Å; D482-S499 PolarHBondContact OD1-N 2.92Å; D482-S499 WeakPolarHBondContact OD2-CB 3.45Å; D482-S499 PolarHBondContact OD2-N 3.5Å; D482-S499 PolarHBondContact OD2-OG 2.72Å
483	L	81	Confident	78	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-47.9	173.1	-177.7	70	0	0	0	109.4	I478 T479 M480 K485 L486 L487 I514 V516 L527 L541 C578	I478-L483 HydrophobicContact CD1-CD1 3.91Å; I478-L483 HydrophobicContact CG2-CB 4.14Å; T479-L483 PolarHBondContact O-N 3.24Å; M480-L483 PolarHBondContact O-N 2.99Å; L483-K485 VanDerWaalsContact C-N 3.31Å; L483-K485 PolarHBondContact O-N 2.98Å; L483-L486 CarbonylContact O-C 3.46Å; L483-L486 PolarHBondContact O-N 2.8Å; L483-L486 VanDerWaalsContact O-N 3.09Å; L483-L487 HydrophobicContact CD1-CD1 4.27Å; L483-L487 HydrophobicContact CD1-CD2 4.41Å; L483-L487 HydrophobicContact CD1-CG 4.05Å; L483-L487 HydrophobicContact CD2-CD1 3.84Å; L483-L487 HydrophobicContact CG-CD1 3.68Å; L483-L487 HydrophobicContact CG-CG 3.93Å; L483-L487 WeakPolarHBondContact O-CB 3.22Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.33Å; L483-I514 HydrophobicContact CD2-CD1 4.24Å; L483-I514 HydrophobicContact CD2-CG2 3.91Å; L483-V516 HydrophobicContact CD1-CG1 4.48Å; L483-V516 HydrophobicContact CD1-CG2 4.05Å; L483-L527 HydrophobicContact CD1-CD1 3.83Å; L483-L541 HydrophobicContact CD2-CD1 4.05Å; L483-C578 HydrophobicContact CB-CB 3.79Å; L483-C578 VanDerWaalsContact CB-SG 3.56Å; L483-C578 HydrophobicContact CD1-CB 4.31Å; L483-C578 HydrophobicContact CD2-CB 3.6Å; L483-C578 WeakPolarHBondContact CD2-SG 3.47Å; L483-C578 HydrophobicContact CG-CB 4.04Å
484	T	80	Confident	77.8	Confident	14 Å²	14	40.2 Å²	40.2	9%	0.086	21%	0.21	C	C	.	.	H	α-helix	trans	-56.4	-44.3	177.8	-63.5	0	0	0	0	111.4	M480 S481 D482 L487 K488 L538 E543	M480-T484 WeakPolarHBondContact O-CB 3.32Å; M480-T484 PolarHBondContact O-N 3.36Å; M480-T484 PolarHBondContact O-OG1 2.9Å; S481-T484 PolarHBondContact O-N 3.06Å; D482-T484 VanDerWaalsContact C-N 3.35Å; T484-L487 PolarHBondContact O-N 3.08Å; T484-K488 HydrophobicContact CG2-CD 3.96Å; T484-K488 HydrophobicContact CG2-CG 4.49Å; T484-K488 WeakPolarHBondContact O-CB 3.3Å; T484-K488 VanDerWaalsContact O-CG 3.31Å; T484-K488 WeakPolarHBondContact O-CG 3.39Å; T484-K488 PolarHBondContact O-N 2.78Å; T484-L538 HydrophobicContact CG2-CD2 4.34Å; T484-E543 HydrophobicContact CG2-CB 4.4Å; T484-E543 HydrophobicContact CG2-CG 3.77Å
485	K	82	Confident	77.6	Confident	85 Å²	85	38.1 Å²	38.1	37%	0.37	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-47.1	174.3	-71.3	171.4	-168.8	165.6	0	111.9	S481 D482 L483 L487 K488 E497 L498	S481-K485 WeakPolarHBondContact O-CG 3.35Å; S481-K485 PolarHBondContact O-N 3.31Å; D482-K485 PolarHBondContact O-N 2.73Å; D482-K485 IonicContact OD1-NZ 2.85Å; D482-K485 PolarHBondContact OD1-NZ 3.43Å; L483-K485 VanDerWaalsContact C-N 3.31Å; L483-K485 PolarHBondContact O-N 2.98Å; K485-L487 VanDerWaalsContact C-N 3.34Å; K485-L487 PolarHBondContact O-N 2.93Å; K485-K488 PolarHBondContact O-N 3.49Å; K485-E497 PolarHBondContact NZ-O 3.4Å; K485-L498 HydrophobicContact CB-CD2 4.32Å; K485-L498 HydrophobicContact CD-CD2 4.08Å
486	L	82.5	Confident	77.7	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-35.2	179.8	-73.9	169.8	0	0	0	112.8	I478 D482 L483 C493 L498 A525 L527	I478-L486 HydrophobicContact CD1-CD1 4.2Å; I478-L486 HydrophobicContact CG2-CD1 4.42Å; D482-L486 WeakPolarHBondContact O-CB 3.3Å; D482-L486 VanDerWaalsContact O-CG 3.29Å; D482-L486 WeakPolarHBondContact O-CG 3.34Å; D482-L486 PolarHBondContact O-N 3.44Å; L483-L486 CarbonylContact O-C 3.46Å; L483-L486 PolarHBondContact O-N 2.8Å; L483-L486 VanDerWaalsContact O-N 3.09Å; L486-C493 HydrophobicContact CD2-CB 3.63Å; L486-L498 HydrophobicContact CD2-CD1 4.15Å; L486-L498 HydrophobicContact CG-CD1 4.43Å; L486-L498 HydrophobicContact CG-CD2 4.36Å; L486-A525 HydrophobicContact CD2-CB 4.27Å; L486-L527 HydrophobicContact CB-CD1 3.69Å; L486-L527 HydrophobicContact CB-CG 3.92Å; L486-L527 HydrophobicContact CD1-CD2 4.26Å; L486-L527 HydrophobicContact CD1-CG 4.45Å
487	L	84.4	Confident	77.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-72.4	-33.3	176.7	-70.2	174.5	0	0	0	112.2	L483 T484 K485 T489 L527 L529 K534 Y537 L538 L541 L548	L483-L487 HydrophobicContact CD1-CD1 4.27Å; L483-L487 HydrophobicContact CD1-CD2 4.41Å; L483-L487 HydrophobicContact CD1-CG 4.05Å; L483-L487 HydrophobicContact CD2-CD1 3.84Å; L483-L487 HydrophobicContact CG-CD1 3.68Å; L483-L487 HydrophobicContact CG-CG 3.93Å; L483-L487 WeakPolarHBondContact O-CB 3.22Å; L483-L487 VanDerWaalsContact O-CG 3.25Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.33Å; T484-L487 PolarHBondContact O-N 3.08Å; K485-L487 VanDerWaalsContact C-N 3.34Å; K485-L487 PolarHBondContact O-N 2.93Å; L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.25Å; L487-L527 HydrophobicContact CD2-CD1 3.73Å; L487-L527 HydrophobicContact CG-CD1 4.16Å; L487-L529 HydrophobicContact CD2-CD1 3.74Å; L487-K534 HydrophobicContact CD2-CB 4.14Å; L487-K534 HydrophobicContact CD2-CG 3.94Å; L487-Y537 HydrophobicContact CD2-CD2 4.1Å; L487-L538 HydrophobicContact CB-CD1 4.32Å; L487-L538 HydrophobicContact CB-CD2 3.79Å; L487-L538 HydrophobicContact CB-CG 3.94Å; L487-L538 HydrophobicContact CD1-CD2 4.07Å; L487-L538 HydrophobicContact CD1-CG 4.19Å; L487-L541 HydrophobicContact CD1-CD1 3.72Å; L487-L548 WeakPolarHBondContact O-CD2 3.42Å
488	K	84.2	Confident	78	Confident	51 Å²	51	48.5 Å²	48.5	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-77.1	-9.9	-178.6	-75.1	179.1	178.2	179.4	0	114.6	T484 K485 L538 E543 D547	T484-K488 HydrophobicContact CG2-CD 3.96Å; T484-K488 HydrophobicContact CG2-CG 4.49Å; T484-K488 WeakPolarHBondContact O-CB 3.3Å; T484-K488 VanDerWaalsContact O-CG 3.31Å; T484-K488 WeakPolarHBondContact O-CG 3.39Å; T484-K488 PolarHBondContact O-N 2.78Å; K485-K488 PolarHBondContact O-N 3.49Å; K488-L538 HydrophobicContact CG-CD1 4.34Å; K488-L538 HydrophobicContact CG-CD2 4.05Å; K488-E543 WeakPolarHBondContact CE-OE2 3.45Å; K488-E543 IonicContact NZ-OE2 3.53Å; K488-E543 PolarHBondContact NZ-OE2 3.09Å; K488-D547 HydrophobicContact CB-CB 4.3Å
489	T	78.6	Confident	78	Confident	24 Å²	24	49.9 Å²	49.9	15%	0.147	26%	0.255	C	S	.	.			trans	-115.7	147.9	178.2	-172.5	0	0	0	0	112.8	L487 E491 C493 K534	L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.25Å; T489-E491 WeakPolarHBondContact CG2-O 3.33Å; T489-E491 PolarHBondContact OG1-N 3.1Å; T489-E491 VanDerWaalsContact OG1-N 3.08Å; T489-C493 HydrophobicContact CG2-CB 4.39Å; T489-K534 PolarHBondContact O-NZ 2.81Å
490	N	72.4	Confident	77.5	Confident	78 Å²	78	54.7 Å²	54.7	42%	0.417	27%	0.274	S	S	.	.	S	Bend	trans	-98.5	-4	167.9	-74	-28.7	0	0	0	113.1	K534 L548	N490-K534 PolarHBondContact OD1-NZ 3.35Å; N490-L548 WeakPolarHBondContact OD1-CD2 3.29Å
491	E	74.4	Confident	77.1	Confident	116 Å²	116	55.8 Å²	55.8	54%	0.542	28%	0.282	S	S	.	.	S	Bend	trans	-98.3	167.3	178.8	-70.6	157.3	-146.3	0	0	111	T489 C493 K551	T489-E491 WeakPolarHBondContact CG2-O 3.33Å; T489-E491 PolarHBondContact OG1-N 3.1Å; T489-E491 VanDerWaalsContact OG1-N 3.08Å; E491-C493 PolarHBondContact O-N 3.44Å; E491-K551 IonicContact OE1-NZ 2.88Å; E491-K551 PolarHBondContact OE1-NZ 3.07Å; E491-K551 IonicContact OE2-NZ 3.92Å; E491-K551 PolarHBondContact OE2-NZ 3.25Å; E491-K551 VanDerWaalsContact OE2-NZ 3.09Å
492	N	77.4	Confident	76.4	Confident	91 Å²	91	52.5 Å²	52.5	49%	0.487	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.6	116.8	172.1	-69	-13.2	0	0	0	109.8	V526	N492-V526 WeakPolarHBondContact OD1-CB 3.27Å
493	C	78.4	Confident	75.3	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.054	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.8	174.6	-176.1	0	0	0	0	109.3	L486 T489 E491 S524 A525	L486-C493 HydrophobicContact CD2-CB 3.63Å; T489-C493 HydrophobicContact CG2-CB 4.39Å; E491-C493 PolarHBondContact O-N 3.44Å; C493-S524 CarbonylContact O-C 3.59Å; C493-S524 WeakPolarHBondContact O-CA 3.37Å; C493-S524 VanDerWaalsContact O-CB 3.32Å; C493-S524 WeakPolarHBondContact O-CB 3.26Å; C493-A525 PolarHBondContact N-O 3.5Å; C493-A525 PolarHBondContact O-N 2.83Å
494	L	80.4	Confident	73.8	Confident	65 Å²	65	60.7 Å²	60.7	34%	0.34	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134	-179.8	-62	175.4	0	0	0	109.4	K496 E497 V523	L494-K496 HydrophobicContact CB-CG 3.97Å; L494-K496 VanDerWaalsContact CD1-CE 3.47Å; L494-K496 PolarHBondContact O-N 3Å; L494-K496 VanDerWaalsContact O-N 3.08Å; L494-E497 HydrophobicContact CB-CG 4.26Å; L494-E497 WeakPolarHBondContact O-CB 3.44Å; L494-E497 PolarHBondContact O-N 2.78Å; L494-V523 WeakPolarHBondContact CA-O 3.33Å
495	L	74.8	Confident	71.8	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.089	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.3	-176.6	-71.8	178.2	0	0	0	113	E497 L498 Q503 R520 V523 A525	L495-E497 PolarHBondContact O-N 3.3Å; L495-L498 HydrophobicContact CD2-CD1 4.25Å; L495-L498 PolarHBondContact O-N 3.22Å; L495-L498 VanDerWaalsContact O-N 3.09Å; L495-Q503 PolarHBondContact O-NE2 3.24Å; L495-R520 HydrophobicContact CD1-CG 4.43Å; L495-R520 HydrophobicContact CD2-CG 4.37Å; L495-V523 PolarHBondContact N-O 2.98Å; L495-A525 HydrophobicContact CD2-CB 3.94Å
496	K	78.4	Confident	69.5	Low	164 Å²	164	62.6 Å²	62.6	71%	0.713	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.6	175	70.4	-178.7	-175.6	-179.4	0	114.2	L494	L494-K496 HydrophobicContact CB-CG 3.97Å; L494-K496 VanDerWaalsContact CD1-CE 3.47Å; L494-K496 PolarHBondContact O-N 3Å; L494-K496 VanDerWaalsContact O-N 3.08Å
497	E	78.9	Confident	66.8	Low	103 Å²	103	66.9 Å²	66.9	48%	0.481	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7.6	178.1	-61.9	171.8	-176.5	0	0	112.1	K485 L494 L495	K485-E497 PolarHBondContact NZ-O 3.4Å; L494-E497 HydrophobicContact CB-CG 4.26Å; L494-E497 WeakPolarHBondContact O-CB 3.44Å; L494-E497 PolarHBondContact O-N 2.78Å; L495-E497 PolarHBondContact O-N 3.3Å
498	L	75.6	Confident	64.2	Low	7 Å²	7	73.4 Å²	73.4	4%	0.037	39%	0.387	C	S	.	.	S	Bend	trans	-107.4	158.5	-177.4	-55.3	173.1	0	0	0	109.8	D482 K485 L486 L495 L502 Q503 A525	D482-L498 HydrophobicContact CB-CD2 3.92Å; D482-L498 WeakPolarHBondContact OD1-CA 3.38Å; K485-L498 HydrophobicContact CB-CD2 4.32Å; K485-L498 HydrophobicContact CD-CD2 4.08Å; L486-L498 HydrophobicContact CD2-CD1 4.15Å; L486-L498 HydrophobicContact CG-CD1 4.43Å; L486-L498 HydrophobicContact CG-CD2 4.36Å; L495-L498 HydrophobicContact CD2-CD1 4.25Å; L495-L498 PolarHBondContact O-N 3.22Å; L495-L498 VanDerWaalsContact O-N 3.09Å; L498-L502 HydrophobicContact CB-CB 4.47Å; L498-L502 HydrophobicContact CB-CD2 3.87Å; L498-L502 HydrophobicContact CD1-CD2 3.41Å; L498-L502 VanDerWaalsContact CD1-CD2 3.41Å; L498-L502 HydrophobicContact CG-CD2 4.15Å; L498-Q503 PolarHBondContact O-NE2 3.13Å; L498-A525 HydrophobicContact CD1-CB 4.31Å
499	S	71.7	Confident	61.5	Low	30 Å²	30	75.4 Å²	75.4	21%	0.21	40%	0.401	C	S	.	.			trans	-57.3	152.5	-178.3	63.9	0	0	0	0	113	D482 D501 L502 Q503	D482-S499 PolarHBondContact OD1-N 2.92Å; D482-S499 WeakPolarHBondContact OD2-CB 3.45Å; D482-S499 PolarHBondContact OD2-N 3.5Å; D482-S499 PolarHBondContact OD2-OG 2.72Å; S499-D501 PolarHBondContact O-N 3.05Å; S499-L502 PolarHBondContact O-N 3.33Å; S499-L502 VanDerWaalsContact O-N 3.08Å; S499-Q503 WeakPolarHBondContact O-CG 3.5Å; S499-Q503 PolarHBondContact O-N 2.84Å; S499-Q503 VanDerWaalsContact O-N 3.12Å
500	E	64.1	Low	59.1	Low	149 Å²	149	80.8 Å²	80.8	70%	0.696	42%	0.419	S	S	*	.	H	α-helix	trans	-59.4	-28.3	174.2	-72.1	-170.3	172.7	0	0	112.6	L502 Q503 S504	E500-L502 VanDerWaalsContact C-N 3.29Å; E500-L502 PolarHBondContact O-N 3.45Å; E500-Q503 CarbonylContact O-C 3.57Å; E500-Q503 WeakPolarHBondContact O-CA 3.2Å; E500-Q503 WeakPolarHBondContact O-CB 3.5Å; E500-Q503 PolarHBondContact O-N 2.77Å; E500-S504 WeakPolarHBondContact O-CB 3.49Å; E500-S504 PolarHBondContact O-N 2.91Å; E500-S504 PolarHBondContact O-OG 3.46Å
501	D	62.7	Low	57.5	Low	92 Å²	92	81.9 Å²	81.9	49%	0.492	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-41.5	175.2	-67.1	-29.8	0	0	0	111.2	S499 Q503 S504 S505	S499-D501 PolarHBondContact O-N 3.05Å; D501-Q503 VanDerWaalsContact C-N 3.28Å; D501-S504 PolarHBondContact O-N 3.04Å; D501-S505 WeakPolarHBondContact O-CB 3.39Å; D501-S505 PolarHBondContact O-N 3.39Å; D501-S505 PolarHBondContact O-OG 2.89Å
502	L	62.6	Low	56.4	Low	3 Å²	3	78.4 Å²	78.4	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-73.1	-25.5	173.5	-156.6	78.3	0	0	0	111.9	V476 I478 L498 S499 E500 R520	V476-L502 HydrophobicContact CG1-CD1 3.48Å; V476-L502 VanDerWaalsContact CG1-CD1 3.48Å; V476-L502 HydrophobicContact CG1-CG 4.41Å; I478-L502 HydrophobicContact CB-CD1 4.09Å; I478-L502 HydrophobicContact CG1-CD1 3.74Å; I478-L502 HydrophobicContact CG2-CD1 4.02Å; L498-L502 HydrophobicContact CB-CB 4.47Å; L498-L502 HydrophobicContact CB-CD2 3.87Å; L498-L502 HydrophobicContact CD1-CD2 3.41Å; L498-L502 VanDerWaalsContact CD1-CD2 3.41Å; L498-L502 HydrophobicContact CG-CD2 4.15Å; S499-L502 PolarHBondContact O-N 3.33Å; S499-L502 VanDerWaalsContact O-N 3.08Å; E500-L502 VanDerWaalsContact C-N 3.29Å; E500-L502 PolarHBondContact O-N 3.45Å; L502-R520 PolarHBondContact O-NH1 3.4Å
503	Q	57.5	Low	55.8	Low	78 Å²	78	79.5 Å²	79.5	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-74.4	-29.6	173.7	-59.9	174.4	33.1	0	0	111.9	L495 L498 S499 E500 D501 R520	L495-Q503 PolarHBondContact O-NE2 3.24Å; L498-Q503 PolarHBondContact O-NE2 3.13Å; S499-Q503 WeakPolarHBondContact O-CG 3.5Å; S499-Q503 PolarHBondContact O-N 2.84Å; S499-Q503 VanDerWaalsContact O-N 3.12Å; E500-Q503 CarbonylContact O-C 3.57Å; E500-Q503 WeakPolarHBondContact O-CA 3.2Å; E500-Q503 WeakPolarHBondContact O-CB 3.5Å; E500-Q503 PolarHBondContact O-N 2.77Å; D501-Q503 VanDerWaalsContact C-N 3.28Å; Q503-R520 PolarHBondContact O-NH2 3.11Å
504	S	47.9	Very low	55.6	Low	96 Å²	96	79.4 Å²	79.4	67%	0.671	41%	0.414	S	S	*	.	H	α-helix	trans	-126.4	-20.6	-164.7	64.7	0	0	0	0	117.4	E500 D501	E500-S504 WeakPolarHBondContact O-CB 3.49Å; E500-S504 PolarHBondContact O-N 2.91Å; E500-S504 PolarHBondContact O-OG 3.46Å; D501-S504 PolarHBondContact O-N 3.04Å
505	S	39.7	Very low	55.4	Low	37 Å²	37	76.7 Å²	76.7	26%	0.259	40%	0.4	S	S	.	.			trans	-118.8	150.1	-163.3	82	0	0	0	0	115.9	D501	D501-S505 WeakPolarHBondContact O-CB 3.39Å; D501-S505 PolarHBondContact O-N 3.39Å; D501-S505 PolarHBondContact O-OG 2.89Å
506	N	32.1	Very low	55.8	Low	101 Å²	101	75.9 Å²	75.9	54%	0.54	40%	0.396	S	S	.	.			trans	-126.2	98.3	162.3	-59.1	-47.8	0	0	0	106.5	V476	V476-N506 VanDerWaalsContact CG2-OD1 3.3Å; V476-N506 WeakPolarHBondContact CG2-OD1 3.48Å
507	C	26	Very low	56	Low	95 Å²	95	68.1 Å²	68.1	64%	0.642	36%	0.362	S	S	*	.			trans	168.1	154.8	153.1	-96.4	0	0	0	0	117.3	T477	T477-C507 PolarHBondContact OG1-O 2.89Å
508	L	30.4	Very low	56.1	Low	136 Å²	136	63.2 Å²	63.2	71%	0.712	34%	0.339	S	S	*	.			trans	72.3	105.1	145	-80.8	159.9	0	0	0	125.4	R577	L508-R577 PolarHBondContact O-NH1 2.94Å
509	N	27.6	Very low	56.1	Low	94 Å²	94	66.5 Å²	66.5	50%	0.503	35%	0.351	S	S	.	.				67.2	114.1	125.5	-169	30.2	0	0	0	127.6	R577	N509-R577 VanDerWaalsContact C-NE 3.31Å; N509-R577 PolarHBondContact O-NE 3.31Å; N509-R577 PolarHBondContact O-NH1 3.47Å; N509-R577 PolarHBondContact O-NH2 2.89Å
510	Y	29	Very low	56.3	Low	136 Å²	136	67.5 Å²	67.5	53%	0.533	35%	0.351	S	S	.	.			trans	159.2	174	147.6	-102.6	-79.9	0	0	0	114.3	L512 R577	Y510-L512 PolarHBondContact O-N 3.38Å; Y510-R577 WeakPolarHBondContact O-CB 3.41Å; Y510-R577 VanDerWaalsContact O-CD 3.26Å; Y510-R577 WeakPolarHBondContact O-CD 3.2Å; Y510-R577 WeakPolarHBondContact O-CG 3.31Å
511	D	38.4	Very low	56.7	Low	101 Å²	101	60.8 Å²	60.8	54%	0.54	32%	0.321	S	S	.	.	S	Bend	trans	-71.5	88.6	-149.4	-72.4	-49.7	0	0	0	121.6	S575	D511-S575 CarbonylContact C-O 3.58Å; D511-S575 VanDerWaalsContact C-O 3.3Å; D511-S575 CarbonylContact O-C 3.41Å
512	L	51	Low	57.3	Low	44 Å²	44	63.2 Å²	63.2	23%	0.23	33%	0.327	C	S	.	.			trans	-178.7	116	132.8	-96.6	149.4	0	0	0	103	L50 Y510 I514 L574 A576 R577	L50-L512 HydrophobicContact CD2-CD2 4.14Å; Y510-L512 PolarHBondContact O-N 3.38Å; L512-I514 VanDerWaalsContact C-N 3.25Å; L512-I514 PolarHBondContact O-N 3.19Å; L512-L574 HydrophobicContact CD1-CB 4.41Å; L512-L574 HydrophobicContact CD1-CD2 4.38Å; L512-A576 HydrophobicContact CB-CB 3.88Å; L512-A576 HydrophobicContact CD1-CB 3.37Å; L512-A576 HydrophobicContact CG-CB 4.23Å; L512-R577 CarbonylContact O-C 3.56Å; L512-R577 PolarHBondContact O-N 3.48Å
513	D	65	Low	58.1	Low	113 Å²	113	68 Å²	68	60%	0.604	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	68	-173.6	-74.2	-25.3	0	0	0	111.8	I515	D513-I515 PolarHBondContact O-N 2.7Å
514	I	74.7	Confident	59.3	Low	6 Å²	6	64.7 Å²	64.7	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	105.9	168.6	-61.6	178.7	0	0	0	108.1	L483 L512 V516 Y537 L540 L541 C578 F579	L483-I514 HydrophobicContact CD2-CD1 4.24Å; L483-I514 HydrophobicContact CD2-CG2 3.91Å; L512-I514 VanDerWaalsContact C-N 3.25Å; L512-I514 PolarHBondContact O-N 3.19Å; I514-V516 HydrophobicContact CG2-CG1 3.85Å; I514-Y537 HydrophobicContact CD1-CD1 4.29Å; I514-Y537 HydrophobicContact CG1-CD1 4.38Å; I514-Y537 HydrophobicContact CG2-CD1 3.91Å; I514-Y537 HydrophobicContact CG2-CD2 4.28Å; I514-Y537 HydrophobicContact CG2-CE1 3.92Å; I514-Y537 HydrophobicContact CG2-CE2 4.28Å; I514-Y537 HydrophobicContact CG2-CG 4.11Å; I514-L540 HydrophobicContact CD1-CD1 4.45Å; I514-L541 HydrophobicContact CD1-CD2 4.2Å; I514-L541 HydrophobicContact CD1-CG 4.47Å; I514-C578 CarbonylContact O-C 3.48Å; I514-C578 WeakPolarHBondContact O-CA 3.45Å; I514-F579 PolarHBondContact O-N 2.7Å
515	I	76.2	Confident	60.7	Low	8 Å²	8	60.1 Å²	60.1	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.4	176.9	-57.1	159.3	0	0	0	108.7	Q461 V464 F468 D513 F579 I581	Q461-I515 PolarHBondContact NE2-O 3.46Å; V464-I515 HydrophobicContact CB-CG2 4.46Å; V464-I515 HydrophobicContact CG1-CB 4.36Å; V464-I515 HydrophobicContact CG1-CG2 3.82Å; V464-I515 HydrophobicContact CG2-CG2 3.79Å; F468-I515 HydrophobicContact CB-CD1 3.78Å; F468-I515 HydrophobicContact CB-CG2 4.31Å; F468-I515 HydrophobicContact CD1-CD1 3.41Å; F468-I515 VanDerWaalsContact CD1-CD1 3.41Å; F468-I515 HydrophobicContact CD1-CG1 4.19Å; F468-I515 HydrophobicContact CD2-CD1 4.23Å; F468-I515 HydrophobicContact CD2-CG1 4.36Å; F468-I515 HydrophobicContact CD2-CG2 4.07Å; F468-I515 HydrophobicContact CE1-CD1 3.98Å; F468-I515 HydrophobicContact CE1-CG1 4.39Å; F468-I515 HydrophobicContact CG-CD1 3.54Å; F468-I515 HydrophobicContact CG-CG1 4.15Å; F468-I515 HydrophobicContact CG-CG2 4.27Å; D513-I515 PolarHBondContact O-N 2.7Å; I515-F579 HydrophobicContact CG1-CD2 4.49Å; I515-I581 HydrophobicContact CG2-CD1 3.95Å; I515-I581 HydrophobicContact CG2-CG1 4.13Å
516	V	82.7	Confident	62.6	Low	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.9	179.9	-65.3	0	0	0	0	110.3	I478 L483 I514 L527 L529 Y537 F579 L580 I581	I478-V516 HydrophobicContact CD1-CG2 3.98Å; L483-V516 HydrophobicContact CD1-CG1 4.48Å; L483-V516 HydrophobicContact CD1-CG2 4.05Å; I514-V516 HydrophobicContact CG2-CG1 3.85Å; V516-L527 HydrophobicContact CB-CD2 4.29Å; V516-L527 HydrophobicContact CG2-CD2 3.8Å; V516-L529 HydrophobicContact CB-CD1 4.32Å; V516-L529 HydrophobicContact CG1-CD1 3.75Å; V516-L529 HydrophobicContact CG1-CD2 4.33Å; V516-Y537 HydrophobicContact CG1-CD2 4.09Å; V516-Y537 HydrophobicContact CG1-CE2 3.61Å; V516-F579 VanDerWaalsContact CG2-O 3.26Å; V516-F579 WeakPolarHBondContact CG2-O 3.45Å; V516-F579 PolarHBondContact N-O 3.21Å; V516-L580 HydrophobicContact CG2-CB 4.49Å; V516-L580 HydrophobicContact CG2-CD1 3.83Å; V516-L580 CarbonylContact O-C 3.5Å; V516-L580 WeakPolarHBondContact O-CA 3.32Å; V516-I581 PolarHBondContact O-N 2.92Å
517	T	82	Confident	65.1	Low	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.9	169.1	58.4	0	0	0	0	109.6	L459 Q461 V464 Y528 I581	L459-T517 HydrophobicContact CB-CG2 3.88Å; Q461-T517 PolarHBondContact OE1-OG1 3.45Å; V464-T517 HydrophobicContact CB-CG2 3.75Å; V464-T517 HydrophobicContact CG1-CG2 4.29Å; V464-T517 HydrophobicContact CG2-CG2 3.45Å; V464-T517 VanDerWaalsContact CG2-CG2 3.45Å; T517-Y528 WeakPolarHBondContact O-CB 3.35Å; T517-Y528 PolarHBondContact O-N 3.22Å; T517-I581 WeakPolarHBondContact CA-O 3.13Å
518	G	80.4	Confident	67.6	Low	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-177.9	176.7	0	0	0	0	0	114.3	V526 Y528 I581 I582 A583	G518-V526 CarbonylContact C-O 3.42Å; G518-V526 WeakPolarHBondContact CA-O 3.27Å; G518-Y528 VanDerWaalsContact C-CD2 3.41Å; G518-Y528 WeakPolarHBondContact O-CE2 2.97Å; G518-I581 PolarHBondContact N-O 3.31Å; G518-I582 WeakPolarHBondContact O-CA 3.17Å; G518-A583 PolarHBondContact O-N 3.31Å
519	W	76.7	Confident	70	Confident	76 Å²	76	47.4 Å²	47.4	29%	0.288	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.7	172.7	-170.5	60	0	0	0	110.1	G521 S524 A525 V526 Y528	W519-G521 VanDerWaalsContact CH2-CA 3.46Å; W519-G521 VanDerWaalsContact CZ2-CA 3.42Å; W519-S524 WeakPolarHBondContact CZ3-OG 3.35Å; W519-A525 CarbonylContact O-C 3.58Å; W519-A525 VanDerWaalsContact O-CA 3.22Å; W519-A525 WeakPolarHBondContact O-CA 3.2Å; W519-V526 HydrophobicContact CB-CG1 3.74Å; W519-V526 HydrophobicContact CE3-CG1 4.22Å; W519-V526 PolarHBondContact N-O 3.5Å; W519-V526 PolarHBondContact O-N 3.37Å; W519-Y528 HydrophobicContact CB-CE1 3.81Å; W519-Y528 HydrophobicContact CB-CE2 4.25Å; W519-Y528 VanDerWaalsContact CB-OH 3.31Å; W519-Y528 WeakPolarHBondContact CB-OH 3.14Å
520	R	76.1	Confident	72.6	Confident	52 Å²	52	45.3 Å²	45.3	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.9	167.2	-178.7	-171.1	166.4	161.9	-0.8	108.3	L495 L502 Q503 I582	L495-R520 HydrophobicContact CD1-CG 4.43Å; L495-R520 HydrophobicContact CD2-CG 4.37Å; L502-R520 PolarHBondContact O-NH1 3.4Å; Q503-R520 PolarHBondContact O-NH2 3.11Å; R520-I582 HydrophobicContact CB-CD1 3.6Å; R520-I582 HydrophobicContact CB-CG1 4.01Å; R520-I582 HydrophobicContact CB-CG2 3.7Å; R520-I582 HydrophobicContact CG-CD1 4.19Å
521	G	73	Confident	75.3	Confident	7 Å²	7	41.2 Å²	41.2	7%	0.072	21%	0.205	C	C	.	.			trans	-80.9	-175.4	168.3	0	0	0	0	0	112.3	W519 V523 S524	W519-G521 VanDerWaalsContact CH2-CA 3.46Å; W519-G521 VanDerWaalsContact CZ2-CA 3.42Å; G521-V523 VanDerWaalsContact C-N 3.27Å; G521-V523 PolarHBondContact O-N 3.06Å; G521-S524 PolarHBondContact N-O 2.69Å
522	K	73.3	Confident	77.6	Confident	143 Å²	143	39.5 Å²	39.5	62%	0.622	19%	0.194	S	C	*	.	S	Bend	trans	-64.2	-30.8	178.3	-64.7	-169.8	177.7	-166.7	0	113.1	S587	K522-S587 WeakPolarHBondContact CE-O 3.44Å; K522-S587 PolarHBondContact NZ-O 2.83Å
523	V	80.7	Confident	79.1	Confident	103 Å²	103	38.5 Å²	38.5	62%	0.624	19%	0.19	S	C	*	.	S	Bend	trans	-126.2	-8.4	-174	-62.4	0	0	0	0	114.2	L494 L495 G521	L494-V523 WeakPolarHBondContact CA-O 3.33Å; L495-V523 PolarHBondContact N-O 2.98Å; G521-V523 VanDerWaalsContact C-N 3.27Å; G521-V523 PolarHBondContact O-N 3.06Å
524	S	81.3	Confident	80.1	Confident	9 Å²	9	33.5 Å²	33.5	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.5	-173.7	63.4	0	0	0	0	113.7	C493 W519 G521	C493-S524 CarbonylContact O-C 3.59Å; C493-S524 WeakPolarHBondContact O-CA 3.37Å; C493-S524 VanDerWaalsContact O-CB 3.32Å; C493-S524 WeakPolarHBondContact O-CB 3.26Å; W519-S524 WeakPolarHBondContact CZ3-OG 3.35Å; G521-S524 PolarHBondContact N-O 2.69Å
525	A	78	Confident	80.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.9	172.1	0	0	0	0	0	111.6	L486 C493 L495 L498 W519	L486-A525 HydrophobicContact CD2-CB 4.27Å; C493-A525 PolarHBondContact N-O 3.5Å; C493-A525 PolarHBondContact O-N 2.83Å; L495-A525 HydrophobicContact CD2-CB 3.94Å; L498-A525 HydrophobicContact CD1-CB 4.31Å; W519-A525 CarbonylContact O-C 3.58Å; W519-A525 VanDerWaalsContact O-CA 3.22Å; W519-A525 WeakPolarHBondContact O-CA 3.2Å
526	V	80.4	Confident	81.1	Confident	27 Å²	27	34.9 Å²	34.9	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141.8	173.9	63.6	0	0	0	0	110.9	N492 G518 W519 Y528	N492-V526 WeakPolarHBondContact OD1-CB 3.27Å; G518-V526 CarbonylContact C-O 3.42Å; G518-V526 WeakPolarHBondContact CA-O 3.27Å; W519-V526 HydrophobicContact CB-CG1 3.74Å; W519-V526 HydrophobicContact CE3-CG1 4.22Å; W519-V526 PolarHBondContact N-O 3.5Å; W519-V526 PolarHBondContact O-N 3.37Å; V526-Y528 HydrophobicContact CG1-CE1 4.22Å
527	L	83.3	Confident	81.1	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.1	175.4	-59.4	-179.3	0	0	0	111.1	L483 L486 L487 V516 L529 L580	L483-L527 HydrophobicContact CD1-CD1 3.83Å; L486-L527 HydrophobicContact CB-CD1 3.69Å; L486-L527 HydrophobicContact CB-CG 3.92Å; L486-L527 HydrophobicContact CD1-CD2 4.26Å; L486-L527 HydrophobicContact CD1-CG 4.45Å; L487-L527 HydrophobicContact CD2-CD1 3.73Å; L487-L527 HydrophobicContact CG-CD1 4.16Å; V516-L527 HydrophobicContact CB-CD2 4.29Å; V516-L527 HydrophobicContact CG2-CD2 3.8Å; L527-L529 HydrophobicContact CB-CD1 4.13Å; L527-L529 HydrophobicContact CB-CG 4.05Å; L527-L529 HydrophobicContact CD1-CD1 3.99Å; L527-L529 PolarHBondContact O-N 3.42Å; L527-L580 HydrophobicContact CD2-CD1 3.36Å
528	Y	78.9	Confident	81.2	Confident	48 Å²	48	35.5 Å²	35.5	19%	0.188	17%	0.172	C	C	.	.			trans	-93.6	51.2	179.7	-64.4	-32.2	0	0	0	111.9	R458 T517 G518 W519 V526 A583	R458-Y528 HydrophobicContact CG-CE2 4.37Å; R458-Y528 PolarHBondContact NH1-OH 3.31Å; R458-Y528 VanDerWaalsContact NH1-OH 3.15Å; T517-Y528 WeakPolarHBondContact O-CB 3.35Å; T517-Y528 PolarHBondContact O-N 3.22Å; G518-Y528 VanDerWaalsContact C-CD2 3.41Å; G518-Y528 WeakPolarHBondContact O-CE2 2.97Å; W519-Y528 HydrophobicContact CB-CE1 3.81Å; W519-Y528 HydrophobicContact CB-CE2 4.25Å; W519-Y528 VanDerWaalsContact CB-OH 3.31Å; W519-Y528 WeakPolarHBondContact CB-OH 3.14Å; V526-Y528 HydrophobicContact CG1-CE1 4.22Å; Y528-A583 HydrophobicContact CE2-CB 3.84Å
529	L	80.3	Confident	81.2	Confident	18 Å²	18	36.3 Å²	36.3	9%	0.094	18%	0.175	C	C	.	.			trans	-116.7	140.3	-176.6	-56.5	178.4	0	0	0	109.6	Q461 L487 V516 L527 T533 K534 Y537	Q461-L529 HydrophobicContact CB-CD2 4.43Å; Q461-L529 HydrophobicContact CG-CD2 3.54Å; L487-L529 HydrophobicContact CD2-CD1 3.74Å; V516-L529 HydrophobicContact CB-CD1 4.32Å; V516-L529 HydrophobicContact CG1-CD1 3.75Å; V516-L529 HydrophobicContact CG1-CD2 4.33Å; L527-L529 HydrophobicContact CB-CD1 4.13Å; L527-L529 HydrophobicContact CB-CG 4.05Å; L527-L529 HydrophobicContact CD1-CD1 3.99Å; L527-L529 PolarHBondContact O-N 3.42Å; L529-T533 HydrophobicContact CB-CG2 4.44Å; L529-T533 HydrophobicContact CD2-CG2 3.94Å; L529-K534 HydrophobicContact CB-CG 3.79Å; L529-K534 HydrophobicContact CD1-CG 4.24Å; L529-Y537 HydrophobicContact CD1-CD2 3.73Å; L529-Y537 HydrophobicContact CD1-CE2 3.7Å; L529-Y537 HydrophobicContact CD2-CE2 4.16Å
530	D	84	Confident	81.3	Confident	51 Å²	51	33.8 Å²	33.8	27%	0.273	17%	0.167	S	C	.	.			trans	-72.7	170.6	167.3	64.9	28.7	0	0	0	111.5	K178 E532 T533 K534	K178-D530 WeakPolarHBondContact CE-OD2 3.18Å; K178-D530 IonicContact NZ-OD2 2.79Å; K178-D530 PolarHBondContact NZ-OD2 3.13Å; D530-E532 VanDerWaalsContact C-N 3.33Å; D530-E532 PolarHBondContact O-N 3.48Å; D530-E532 PolarHBondContact OD1-N 3.37Å; D530-T533 PolarHBondContact O-N 2.99Å; D530-T533 VanDerWaalsContact OD1-CB 3.23Å; D530-T533 WeakPolarHBondContact OD1-CB 3.39Å; D530-T533 PolarHBondContact OD1-N 2.91Å; D530-T533 PolarHBondContact OD1-OG1 2.95Å; D530-K534 WeakPolarHBondContact O-CG 3.4Å; D530-K534 PolarHBondContact O-N 2.91Å
531	K	85.6	Confident	81.3	Confident	49 Å²	49	31.8 Å²	31.8	21%	0.213	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-46.1	-174.9	-178.3	-179.4	-179.5	177.9	0	111.1	K534 L535 D549 E552	K531-K534 PolarHBondContact O-N 3.34Å; K531-L535 HydrophobicContact CG-CD1 4.33Å; K531-L535 WeakPolarHBondContact O-CG 3.45Å; K531-L535 PolarHBondContact O-N 2.58Å; K531-D549 VanDerWaalsContact CE-OD1 3.27Å; K531-D549 WeakPolarHBondContact CE-OD1 3.26Å; K531-D549 IonicContact NZ-OD1 2.69Å; K531-D549 PolarHBondContact NZ-OD1 3.33Å; K531-E552 IonicContact NZ-OE2 2.8Å; K531-E552 PolarHBondContact NZ-OE2 3.06Å
532	E	86	Confident	81.2	Confident	65 Å²	65	32 Å²	32	30%	0.304	16%	0.162	S	C	.	.	H	α-helix	trans	-65.5	-40.6	-177.3	-66.9	76	-168	0	0	111.9	A102 C103 D530 K534 L535 H536	A102-E532 HydrophobicContact CB-CB 3.58Å; A102-E532 HydrophobicContact CB-CG 3.62Å; C103-E532 PolarHBondContact SG-O 2.83Å; D530-E532 VanDerWaalsContact C-N 3.33Å; D530-E532 PolarHBondContact O-N 3.48Å; D530-E532 PolarHBondContact OD1-N 3.37Å; E532-K534 VanDerWaalsContact C-N 3.34Å; E532-K534 PolarHBondContact O-N 2.98Å; E532-L535 WeakPolarHBondContact O-CB 3.35Å; E532-L535 PolarHBondContact O-N 3.24Å; E532-H536 PolarHBondContact O-N 2.69Å
533	T	82.8	Confident	81.2	Confident	24 Å²	24	28.5 Å²	28.5	15%	0.147	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-38.8	175.7	-52	0	0	0	0	111.5	L529 D530 H536 Y537	L529-T533 HydrophobicContact CB-CG2 4.44Å; L529-T533 HydrophobicContact CD2-CG2 3.94Å; D530-T533 PolarHBondContact O-N 2.99Å; D530-T533 VanDerWaalsContact OD1-CB 3.23Å; D530-T533 WeakPolarHBondContact OD1-CB 3.39Å; D530-T533 PolarHBondContact OD1-N 2.91Å; D530-T533 PolarHBondContact OD1-OG1 2.95Å; T533-H536 PolarHBondContact O-N 3.16Å; T533-Y537 HydrophobicContact CG2-CD2 4.09Å; T533-Y537 HydrophobicContact CG2-CE2 3.53Å; T533-Y537 WeakPolarHBondContact O-CD2 3.22Å; T533-Y537 PolarHBondContact O-N 3.35Å; T533-Y537 VanDerWaalsContact O-N 3.09Å
534	K	86.7	Confident	80.5	Confident	7 Å²	7	24.7 Å²	24.7	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-43.9	173.5	-69.6	179.2	178.4	-174.3	0	111.9	L487 T489 N490 L529 D530 K531 E532 H536 Y537 L538 L548	L487-K534 HydrophobicContact CD2-CB 4.14Å; L487-K534 HydrophobicContact CD2-CG 3.94Å; T489-K534 PolarHBondContact O-NZ 2.81Å; N490-K534 PolarHBondContact OD1-NZ 3.35Å; L529-K534 HydrophobicContact CB-CG 3.79Å; L529-K534 HydrophobicContact CD1-CG 4.24Å; D530-K534 WeakPolarHBondContact O-CG 3.4Å; D530-K534 PolarHBondContact O-N 2.91Å; K531-K534 PolarHBondContact O-N 3.34Å; E532-K534 VanDerWaalsContact C-N 3.34Å; E532-K534 PolarHBondContact O-N 2.98Å; K534-H536 VanDerWaalsContact C-N 3.35Å; K534-Y537 PolarHBondContact O-N 2.81Å; K534-L538 VanDerWaalsContact O-CG 3.31Å; K534-L538 WeakPolarHBondContact O-CG 3.42Å; K534-L538 PolarHBondContact O-N 3.31Å; K534-L548 HydrophobicContact CB-CD1 3.86Å; K534-L548 HydrophobicContact CD-CD1 4.44Å; K534-L548 HydrophobicContact CD-CD2 4.04Å
535	L	85.8	Confident	79.6	Confident	26 Å²	26	24.7 Å²	24.7	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-43.3	177.2	-71	173.9	0	0	0	111.8	A99 K531 E532 L538 H539 L548	A99-L535 HydrophobicContact CB-CB 3.96Å; A99-L535 HydrophobicContact CB-CD1 4.27Å; K531-L535 HydrophobicContact CG-CD1 4.33Å; K531-L535 WeakPolarHBondContact O-CG 3.45Å; K531-L535 PolarHBondContact O-N 2.58Å; E532-L535 WeakPolarHBondContact O-CB 3.35Å; E532-L535 PolarHBondContact O-N 3.24Å; L535-L538 PolarHBondContact O-N 2.51Å; L535-H539 PolarHBondContact O-N 2.79Å; L535-H539 PolarHBondContact O-ND1 2.77Å; L535-L548 HydrophobicContact CD2-CD1 3.94Å; L535-L548 HydrophobicContact CG-CD1 4.28Å
536	H	85.4	Confident	78.7	Confident	17 Å²	17	26.2 Å²	26.2	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-57.3	-49.8	175.2	167	71.1	0	0	0	112	E100 C103 E532 T533 K534 L538 H539 L540	E100-H536 IonicContact OE1-ND1 3.56Å; E100-H536 IonicContact OE2-CE1 3.28Å; E100-H536 IonicContact OE2-CG 2.73Å; E100-H536 IonicContact OE2-ND1 3.34Å; E100-H536 PolarHBondContact OE2-ND1 3.22Å; C103-H536 HydrophobicContact CB-CB 4.21Å; C103-H536 WeakPolarHBondContact SG-CB 3.14Å; E532-H536 PolarHBondContact O-N 2.69Å; T533-H536 PolarHBondContact O-N 3.16Å; K534-H536 VanDerWaalsContact C-N 3.35Å; H536-L538 VanDerWaalsContact C-N 3.33Å; H536-L538 PolarHBondContact O-N 2.68Å; H536-H539 WeakPolarHBondContact O-CB 3.26Å; H536-H539 PolarHBondContact O-N 3.06Å; H536-H539 VanDerWaalsContact O-N 3.17Å; H536-L540 PolarHBondContact O-N 2.85Å
537	Y	82.3	Confident	77.6	Confident	15 Å²	15	28.4 Å²	28.4	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-36	177.5	-65.2	-38.6	0	0	0	112.7	Q461 L487 I514 V516 L529 T533 K534 H539 L540 L541	Q461-Y537 PolarHBondContact NE2-OH 3.22Å; L487-Y537 HydrophobicContact CD2-CD2 4.1Å; I514-Y537 HydrophobicContact CD1-CD1 4.29Å; I514-Y537 HydrophobicContact CG1-CD1 4.38Å; I514-Y537 HydrophobicContact CG2-CD1 3.91Å; I514-Y537 HydrophobicContact CG2-CD2 4.28Å; I514-Y537 HydrophobicContact CG2-CE1 3.92Å; I514-Y537 HydrophobicContact CG2-CE2 4.28Å; I514-Y537 HydrophobicContact CG2-CG 4.11Å; V516-Y537 HydrophobicContact CG1-CD2 4.09Å; V516-Y537 HydrophobicContact CG1-CE2 3.61Å; L529-Y537 HydrophobicContact CD1-CD2 3.73Å; L529-Y537 HydrophobicContact CD1-CE2 3.7Å; L529-Y537 HydrophobicContact CD2-CE2 4.16Å; T533-Y537 HydrophobicContact CG2-CD2 4.09Å; T533-Y537 HydrophobicContact CG2-CE2 3.53Å; T533-Y537 WeakPolarHBondContact O-CD2 3.22Å; T533-Y537 PolarHBondContact O-N 3.35Å; T533-Y537 VanDerWaalsContact O-N 3.09Å; K534-Y537 PolarHBondContact O-N 2.81Å; Y537-H539 VanDerWaalsContact C-N 3.34Å; Y537-H539 PolarHBondContact O-N 3.44Å; Y537-L540 HydrophobicContact CD1-CD1 4.11Å; Y537-L540 PolarHBondContact O-N 2.81Å; Y537-L541 VanDerWaalsContact O-CG 3.25Å; Y537-L541 WeakPolarHBondContact O-CG 3.34Å; Y537-L541 PolarHBondContact O-N 2.98Å
538	L	84.2	Confident	76.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-41.5	172.7	-71.5	169.8	0	0	0	111.5	T484 L487 K488 K534 L535 H536 L540 L541 G542 E543 L548	T484-L538 HydrophobicContact CG2-CD2 4.34Å; L487-L538 HydrophobicContact CB-CD1 4.32Å; L487-L538 HydrophobicContact CB-CD2 3.79Å; L487-L538 HydrophobicContact CB-CG 3.94Å; L487-L538 HydrophobicContact CD1-CD2 4.07Å; L487-L538 HydrophobicContact CD1-CG 4.19Å; K488-L538 HydrophobicContact CG-CD1 4.34Å; K488-L538 HydrophobicContact CG-CD2 4.05Å; K534-L538 VanDerWaalsContact O-CG 3.31Å; K534-L538 WeakPolarHBondContact O-CG 3.42Å; K534-L538 PolarHBondContact O-N 3.31Å; L535-L538 PolarHBondContact O-N 2.51Å; H536-L538 VanDerWaalsContact C-N 3.33Å; H536-L538 PolarHBondContact O-N 2.68Å; L538-L540 VanDerWaalsContact C-N 3.34Å; L538-L540 PolarHBondContact O-N 3.41Å; L538-L541 CarbonylContact O-C 3.59Å; L538-L541 PolarHBondContact O-N 2.84Å; L538-L541 VanDerWaalsContact O-N 3.14Å; L538-G542 PolarHBondContact O-N 3.36Å; L538-G542 VanDerWaalsContact O-N 3.15Å; L538-E543 CarbonylContact C-O 3.49Å; L538-E543 HydrophobicContact CB-CB 4.31Å; L538-E543 HydrophobicContact CD2-CB 3.76Å; L538-E543 PolarHBondContact O-N 2.83Å; L538-E543 VanDerWaalsContact O-O 3.12Å; L538-L548 HydrophobicContact CD1-CD1 3.78Å
539	H	81.5	Confident	75.3	Confident	17 Å²	17	27.1 Å²	27.1	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-42.2	173.7	-61.6	154.9	0	0	0	112.2	L54 F96 E100 L535 H536 Y537 L541 G542 F565	L54-H539 WeakPolarHBondContact CD1-O 3.48Å; F96-H539 AromaticContact CD2-CE1 3.86Å; F96-H539 AromaticContact CD2-ND1 3.77Å; E100-H539 IonicContact OE1-CE1 2.68Å; E100-H539 IonicContact OE1-CG 3.7Å; E100-H539 IonicContact OE1-ND1 2.83Å; E100-H539 PolarHBondContact OE1-ND1 3.18Å; L535-H539 PolarHBondContact O-N 2.79Å; L535-H539 PolarHBondContact O-ND1 2.77Å; H536-H539 WeakPolarHBondContact O-CB 3.26Å; H536-H539 PolarHBondContact O-N 3.06Å; H536-H539 VanDerWaalsContact O-N 3.17Å; Y537-H539 VanDerWaalsContact C-N 3.34Å; Y537-H539 PolarHBondContact O-N 3.44Å; H539-L541 VanDerWaalsContact C-N 3.27Å; H539-L541 PolarHBondContact O-N 3.43Å; H539-G542 PolarHBondContact O-N 2.96Å; H539-G542 VanDerWaalsContact O-N 3.12Å; H539-F565 AromaticContact CD2-CE2 3.74Å; H539-F565 AromaticContact CD2-CZ 3.45Å; H539-F565 VanDerWaalsContact CD2-CZ 3.45Å; H539-F565 WeakPolarHBondContact CD2-CZ 3.47Å
540	L	77.9	Confident	73.8	Confident	23 Å²	23	32.6 Å²	32.6	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-35.9	175.8	-67.8	-175.7	0	0	0	112.6	L50 V51 I514 H536 Y537 L538 G542	L50-L540 HydrophobicContact CB-CD2 4.34Å; L50-L540 HydrophobicContact CD2-CD2 4.05Å; L50-L540 HydrophobicContact CG-CD2 4.15Å; V51-L540 HydrophobicContact CG2-CD2 3.47Å; V51-L540 VanDerWaalsContact CG2-CD2 3.47Å; V51-L540 HydrophobicContact CG2-CG 4.46Å; I514-L540 HydrophobicContact CD1-CD1 4.45Å; H536-L540 PolarHBondContact O-N 2.85Å; Y537-L540 HydrophobicContact CD1-CD1 4.11Å; Y537-L540 PolarHBondContact O-N 2.81Å; L538-L540 VanDerWaalsContact C-N 3.34Å; L538-L540 PolarHBondContact O-N 3.41Å; L540-G542 PolarHBondContact O-N 3.23Å
541	L	75	Confident	72	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2	178.2	-62.5	170.1	0	0	0	113	M480 L483 L487 I514 Y537 L538 H539 E543 A576	M480-L541 HydrophobicContact CE-CD2 3.6Å; L483-L541 HydrophobicContact CD2-CD1 4.05Å; L487-L541 HydrophobicContact CD1-CD1 3.72Å; I514-L541 HydrophobicContact CD1-CD2 4.2Å; I514-L541 HydrophobicContact CD1-CG 4.47Å; Y537-L541 VanDerWaalsContact O-CG 3.25Å; Y537-L541 WeakPolarHBondContact O-CG 3.34Å; Y537-L541 PolarHBondContact O-N 2.98Å; L538-L541 CarbonylContact O-C 3.59Å; L538-L541 PolarHBondContact O-N 2.84Å; L538-L541 VanDerWaalsContact O-N 3.14Å; H539-L541 VanDerWaalsContact C-N 3.27Å; H539-L541 PolarHBondContact O-N 3.43Å; L541-E543 HydrophobicContact CB-CB 4.41Å; L541-E543 HydrophobicContact CB-CG 4.14Å; L541-E543 PolarHBondContact O-N 3.44Å; L541-A576 HydrophobicContact CD2-CB 4.03Å
542	G	71.1	Confident	70.2	Confident	11 Å²	11	39.3 Å²	39.3	11%	0.113	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	29.6	-173.2	0	0	0	0	0	112.8	L538 H539 L540 F565	L538-G542 PolarHBondContact O-N 3.36Å; L538-G542 VanDerWaalsContact O-N 3.15Å; H539-G542 PolarHBondContact O-N 2.96Å; H539-G542 VanDerWaalsContact O-N 3.12Å; L540-G542 PolarHBondContact O-N 3.23Å; G542-F565 VanDerWaalsContact O-CB 3.31Å; G542-F565 WeakPolarHBondContact O-CB 3.4Å
543	E	74.1	Confident	67.8	Low	69 Å²	69	39.7 Å²	39.7	32%	0.322	19%	0.192	S	C	.	.			trans	-110.7	149.2	-179	-73.7	-73.3	173.6	0	0	111	T484 K488 L538 L541	T484-E543 HydrophobicContact CG2-CB 4.4Å; T484-E543 HydrophobicContact CG2-CG 3.77Å; K488-E543 WeakPolarHBondContact CE-OE2 3.45Å; K488-E543 IonicContact NZ-OE2 3.53Å; K488-E543 PolarHBondContact NZ-OE2 3.09Å; L538-E543 CarbonylContact C-O 3.49Å; L538-E543 HydrophobicContact CB-CB 4.31Å; L538-E543 HydrophobicContact CD2-CB 3.76Å; L538-E543 PolarHBondContact O-N 2.83Å; L538-E543 VanDerWaalsContact O-O 3.12Å; L541-E543 HydrophobicContact CB-CB 4.41Å; L541-E543 HydrophobicContact CB-CG 4.14Å; L541-E543 PolarHBondContact O-N 3.44Å
544	D	66	Low	66	Low	23 Å²	23	43 Å²	43	12%	0.123	22%	0.221	C	C	.	.			trans	-87.8	135.5	178.2	-78	-64.2	0	0	0	112.7	E546 L563 K564 F565	D544-E546 HydrophobicContact CB-CG 4.3Å; D544-E546 PolarHBondContact O-N 3.08Å; D544-L563 WeakPolarHBondContact OD1-CB 3.26Å; D544-L563 WeakPolarHBondContact OD2-CB 3.26Å; D544-K564 WeakPolarHBondContact OD2-CA 3.48Å; D544-K564 PolarHBondContact OD2-N 2.91Å; D544-F565 WeakPolarHBondContact OD1-CD2 3.26Å; D544-F565 WeakPolarHBondContact OD1-CE2 3.46Å; D544-F565 PolarHBondContact OD2-N 3.03Å
545	G	61.5	Low	63.6	Low	9 Å²	9	46 Å²	46	9%	0.093	26%	0.255	C	S	.	.			trans	-81.6	18.1	177.5	0	0	0	0	0	115.8	D547 L548	G545-D547 VanDerWaalsContact C-N 3.34Å; G545-D547 PolarHBondContact O-N 2.97Å; G545-L548 WeakPolarHBondContact O-CB 3.45Å; G545-L548 PolarHBondContact O-N 3.38Å
546	E	59.4	Low	61.1	Low	34 Å²	34	54.2 Å²	54.2	16%	0.159	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-37.8	-171.6	-73.4	-175.9	-171.8	0	0	114.6	D544 L548 D549 R550 Y562 L563	D544-E546 HydrophobicContact CB-CG 4.3Å; D544-E546 PolarHBondContact O-N 3.08Å; E546-L548 PolarHBondContact O-N 3.37Å; E546-D549 PolarHBondContact O-N 3.31Å; E546-R550 PolarHBondContact O-N 3.3Å; E546-R550 IonicContact OE2-NH2 3.09Å; E546-R550 PolarHBondContact OE2-NH2 2.95Å; E546-Y562 VanDerWaalsContact CD-CG 3.43Å; E546-Y562 HydrophobicContact CG-CD1 3.89Å; E546-Y562 HydrophobicContact CG-CG 4.39Å; E546-Y562 WeakPolarHBondContact OE1-CA 3.34Å; E546-Y562 WeakPolarHBondContact OE1-CB 3.34Å; E546-Y562 WeakPolarHBondContact OE1-CD1 3.35Å; E546-Y562 VanDerWaalsContact OE1-CG 3.27Å; E546-Y562 WeakPolarHBondContact OE2-CB 3.46Å; E546-L563 PolarHBondContact OE1-N 3.15Å
547	D	58.9	Low	58.3	Low	72 Å²	72	65.6 Å²	65.6	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-31.3	-177.9	-68.2	-35.8	0	0	0	111.7	K488 G545 D549 K551	K488-D547 HydrophobicContact CB-CB 4.3Å; G545-D547 VanDerWaalsContact C-N 3.34Å; G545-D547 PolarHBondContact O-N 2.97Å; D547-D549 VanDerWaalsContact C-N 3.33Å; D547-K551 PolarHBondContact O-N 3.44Å
548	L	57.7	Low	55.9	Low	2 Å²	2	69.1 Å²	69.1	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-33.8	174	-69.1	166.6	0	0	0	112	L487 N490 K534 L535 L538 G545 E546	L487-L548 WeakPolarHBondContact O-CD2 3.42Å; N490-L548 WeakPolarHBondContact OD1-CD2 3.29Å; K534-L548 HydrophobicContact CB-CD1 3.86Å; K534-L548 HydrophobicContact CD-CD1 4.44Å; K534-L548 HydrophobicContact CD-CD2 4.04Å; L535-L548 HydrophobicContact CD2-CD1 3.94Å; L535-L548 HydrophobicContact CG-CD1 4.28Å; L538-L548 HydrophobicContact CD1-CD1 3.78Å; G545-L548 WeakPolarHBondContact O-CB 3.45Å; G545-L548 PolarHBondContact O-N 3.38Å; E546-L548 PolarHBondContact O-N 3.37Å
549	D	55.1	Low	53.3	Low	27 Å²	27	77.3 Å²	77.3	14%	0.144	39%	0.393	C	S	.	.	H	α-helix	trans	-81.3	-39.8	178.3	-85.3	-16	0	0	0	112.1	K95 K531 E546 D547 K551 E552 L553	K95-D549 IonicContact NZ-OD2 3.69Å; K95-D549 PolarHBondContact NZ-OD2 3.11Å; K531-D549 VanDerWaalsContact CE-OD1 3.27Å; K531-D549 WeakPolarHBondContact CE-OD1 3.26Å; K531-D549 IonicContact NZ-OD1 2.69Å; K531-D549 PolarHBondContact NZ-OD1 3.33Å; E546-D549 PolarHBondContact O-N 3.31Å; D547-D549 VanDerWaalsContact C-N 3.33Å; D549-K551 PolarHBondContact O-N 3.48Å; D549-E552 PolarHBondContact O-N 2.91Å; D549-L553 HydrophobicContact CB-CD1 4.28Å; D549-L553 VanDerWaalsContact O-CB 3.31Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.1Å
550	R	48.9	Very low	50.9	Low	133 Å²	133	77.8 Å²	77.8	50%	0.502	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-37.5	-178.5	-77.3	-175	-169.9	-179.2	10	112.8	E546 L553 A554	E546-R550 PolarHBondContact O-N 3.3Å; E546-R550 IonicContact OE2-NH2 3.09Å; E546-R550 PolarHBondContact OE2-NH2 2.95Å; R550-L553 CarbonylContact O-C 3.48Å; R550-L553 PolarHBondContact O-N 3.4Å; R550-A554 PolarHBondContact O-N 3.49Å
551	K	47.3	Very low	48.6	Very low	109 Å²	109	81.6 Å²	81.6	47%	0.474	44%	0.437	S	S	.	.	H	α-helix	trans	-68.7	-33.2	179.5	-77.4	-168.8	173.7	-167.6	0	112.9	E491 D547 D549	E491-K551 IonicContact OE1-NZ 2.88Å; E491-K551 PolarHBondContact OE1-NZ 3.07Å; E491-K551 IonicContact OE2-NZ 3.92Å; E491-K551 PolarHBondContact OE2-NZ 3.25Å; E491-K551 VanDerWaalsContact OE2-NZ 3.09Å; D547-K551 PolarHBondContact O-N 3.44Å; D549-K551 PolarHBondContact O-N 3.48Å
552	E	46.1	Very low	46.8	Very low	133 Å²	133	85.9 Å²	85.9	62%	0.621	45%	0.453	S	S	*	.	H	α-helix	trans	-73.4	-38.6	169	-80.5	-172.9	140.4	0	0	111.9	K531 D549 A554	K531-E552 IonicContact NZ-OE2 2.8Å; K531-E552 PolarHBondContact NZ-OE2 3.06Å; D549-E552 PolarHBondContact O-N 2.91Å; E552-A554 VanDerWaalsContact C-N 3.31Å; E552-A554 PolarHBondContact O-N 3.13Å
553	L	36.9	Very low	45.3	Very low	73 Å²	73	87.7 Å²	87.7	38%	0.382	46%	0.46	S	S	.	.	H	α-helix	trans	-82.4	0.8	-179.4	-77.2	156.8	0	0	0	114.1	D549 R550 G555 R556	D549-L553 HydrophobicContact CB-CD1 4.28Å; D549-L553 VanDerWaalsContact O-CB 3.31Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.1Å; R550-L553 CarbonylContact O-C 3.48Å; R550-L553 PolarHBondContact O-N 3.4Å; L553-G555 PolarHBondContact O-N 3.28Å; L553-R556 HydrophobicContact CD2-CB 4.13Å; L553-R556 CarbonylContact O-C 3.55Å; L553-R556 WeakPolarHBondContact O-CA 3.4Å; L553-R556 PolarHBondContact O-N 3.23Å
554	A	44	Very low	43.4	Very low	92 Å²	92	93.1 Å²	93.1	76%	0.76	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.4	169.8	0	0	0	0	0	111.6	R550 E552	R550-A554 PolarHBondContact O-N 3.49Å; E552-A554 VanDerWaalsContact C-N 3.31Å; E552-A554 PolarHBondContact O-N 3.13Å
555	G	36.7	Very low	42.2	Very low	72 Å²	72	93.3 Å²	93.3	74%	0.742	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.9	165.7	0	0	0	0	0	116.5	L553	L553-G555 PolarHBondContact O-N 3.28Å
556	R	32.5	Very low	41.2	Very low	198 Å²	198	98.5 Å²	98.5	75%	0.747	51%	0.512	S	S	*	.	S	Bend	trans	-146.3	100.4	-178.1	-70.5	-175.8	177.7	174.6	-0.5	112.1	L553 V558	L553-R556 HydrophobicContact CD2-CB 4.13Å; L553-R556 CarbonylContact O-C 3.55Å; L553-R556 WeakPolarHBondContact O-CA 3.4Å; L553-R556 PolarHBondContact O-N 3.23Å; R556-V558 PolarHBondContact O-N 3.46Å
557	R	27.7	Very low	40.3	Very low	255 Å²	255	99.5 Å²	99.5	96%	0.962	52%	0.518	S	S	*	.			trans	-50	116.2	170.4	-81.5	179.1	171.5	174	-3	111.4
558	V	32.3	Very low	39.6	Very low	89 Å²	89	96.4 Å²	96.4	54%	0.539	50%	0.502	S	S	.	.			trans	-136.8	120.6	160.9	-176.7	0	0	0	0	109.1	R556 G560	R556-V558 PolarHBondContact O-N 3.46Å; V558-G560 PolarHBondContact O-N 2.89Å
559	N	29	Very low	39.2	Very low	173 Å²	173	100.5 Å²	100.5	93%	0.925	54%	0.536	S	S	*	.			trans	-76.3	99.2	169.8	-70.7	-20.7	0	0	0	108.6
560	G	30.4	Very low	38.9	Very low	27 Å²	27	105.7 Å²	105.7	28%	0.278	55%	0.554	S	S	.	*			trans	-105.6	148.1	169.3	0	0	0	0	0	111	V558 Y562	V558-G560 PolarHBondContact O-N 2.89Å; G560-Y562 WeakPolarHBondContact O-CD2 3.34Å; G560-Y562 WeakPolarHBondContact O-CE2 3.23Å
561	A	29.4	Very low	38.6	Very low	102 Å²	102	99.7 Å²	99.7	84%	0.843	53%	0.532	S	S	*	.			trans	-75.5	138.5	158.3	0	0	0	0	0	108
562	Y	38.3	Very low	38.6	Very low	100 Å²	100	98 Å²	98	39%	0.392	54%	0.539	S	S	.	.			trans	-137.8	138.5	-152.2	-89.6	-43.2	0	0	0	108.6	E546 G560	E546-Y562 VanDerWaalsContact CD-CG 3.43Å; E546-Y562 HydrophobicContact CG-CD1 3.89Å; E546-Y562 HydrophobicContact CG-CG 4.39Å; E546-Y562 WeakPolarHBondContact OE1-CA 3.34Å; E546-Y562 WeakPolarHBondContact OE1-CB 3.34Å; E546-Y562 WeakPolarHBondContact OE1-CD1 3.35Å; E546-Y562 VanDerWaalsContact OE1-CG 3.27Å; E546-Y562 WeakPolarHBondContact OE2-CB 3.46Å; G560-Y562 WeakPolarHBondContact O-CD2 3.34Å; G560-Y562 WeakPolarHBondContact O-CE2 3.23Å
563	L	39.3	Very low	38.6	Very low	50 Å²	50	100 Å²	100	26%	0.262	55%	0.547	S	S	.	.			trans	-75.9	159.3	-157.8	-106	133.9	0	0	0	112.9	Q92 D544 E546 F565	Q92-L563 HydrophobicContact CB-CD1 4.29Å; Q92-L563 HydrophobicContact CG-CD1 3.66Å; D544-L563 WeakPolarHBondContact OD1-CB 3.26Å; D544-L563 WeakPolarHBondContact OD2-CB 3.26Å; E546-L563 PolarHBondContact OE1-N 3.15Å; L563-F565 HydrophobicContact CD2-CD2 4.32Å; L563-F565 HydrophobicContact CD2-CE2 4.44Å; L563-F565 HydrophobicContact CD2-CG 4.47Å
564	K	34.6	Very low	38.7	Very low	183 Å²	183	99.8 Å²	99.8	80%	0.796	55%	0.546	S	S	*	.			trans	-127.6	110	151	-150.8	178.2	-172.3	-176.7	0	104.6	D544 V566	D544-K564 WeakPolarHBondContact OD2-CA 3.48Å; D544-K564 PolarHBondContact OD2-N 2.91Å; K564-V566 PolarHBondContact O-N 3.43Å
565	F	39.9	Very low	38.6	Very low	26 Å²	26	98.7 Å²	98.7	11%	0.114	53%	0.534	C	S	.	.			trans	-60.2	111.9	169.2	-82.7	-92.7	0	0	0	108	H539 G542 D544 L563 L567	H539-F565 AromaticContact CD2-CE2 3.74Å; H539-F565 AromaticContact CD2-CZ 3.45Å; H539-F565 VanDerWaalsContact CD2-CZ 3.45Å; H539-F565 WeakPolarHBondContact CD2-CZ 3.47Å; G542-F565 VanDerWaalsContact O-CB 3.31Å; G542-F565 WeakPolarHBondContact O-CB 3.4Å; D544-F565 WeakPolarHBondContact OD1-CD2 3.26Å; D544-F565 WeakPolarHBondContact OD1-CE2 3.46Å; D544-F565 PolarHBondContact OD2-N 3.03Å; L563-F565 HydrophobicContact CD2-CD2 4.32Å; L563-F565 HydrophobicContact CD2-CE2 4.44Å; L563-F565 HydrophobicContact CD2-CG 4.47Å; F565-L567 PolarHBondContact O-N 3.15Å
566	V	41.4	Very low	38.6	Very low	118 Å²	118	95.7 Å²	95.7	72%	0.715	50%	0.502	S	S	*	.			trans	-83.9	100.1	168.8	-177.3	0	0	0	0	105.8	K564	K564-V566 PolarHBondContact O-N 3.43Å
567	L	39.4	Very low	39.4	Very low	55 Å²	55	89.7 Å²	89.7	29%	0.288	48%	0.479	S	S	.	.			trans	-53	128.9	167.3	-74.5	166.8	0	0	0	107.7	L54 F565 A569 L571	L54-L567 HydrophobicContact CD2-CD2 4.39Å; F565-L567 PolarHBondContact O-N 3.15Å; L567-A569 PolarHBondContact O-N 3.36Å; L567-L571 HydrophobicContact CB-CB 4.27Å; L567-L571 HydrophobicContact CD2-CB 4.19Å; L567-L571 HydrophobicContact CD2-CD2 4.24Å
568	P	44.8	Very low	40.2	Very low	8 Å²	8	77.6 Å²	77.6	5%	0.052	43%	0.433	C	S	.	.			trans	-48.8	144.1	168	-25.5	33.1	0	0	0	110	H57 W570 L571 A572	H57-P568 HydrophobicContact CB-CG 4.39Å; P568-W570 VanDerWaalsContact CB-CD1 3.46Å; P568-W570 HydrophobicContact CB-CD2 4.37Å; P568-W570 HydrophobicContact CB-CG 4.19Å; P568-W570 HydrophobicContact CB-CZ2 4.43Å; P568-W570 HydrophobicContact CG-CZ2 4.39Å; P568-W570 PolarHBondContact O-N 3.08Å; P568-W570 VanDerWaalsContact O-N 3.07Å; P568-L571 HydrophobicContact CB-CB 4.33Å; P568-L571 HydrophobicContact CB-CD1 4.39Å; P568-L571 HydrophobicContact CG-CD1 3.83Å; P568-L571 WeakPolarHBondContact O-CA 3.42Å; P568-L571 VanDerWaalsContact O-CB 3.25Å; P568-L571 WeakPolarHBondContact O-CB 3.4Å; P568-L571 PolarHBondContact O-N 3.05Å; P568-A572 PolarHBondContact O-N 2.8Å
569	A	48.8	Very low	40.7	Very low	87 Å²	87	74.2 Å²	74.2	72%	0.719	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.6	-176.2	0	0	0	0	0	113.1	L567 L571 A572	L567-A569 PolarHBondContact O-N 3.36Å; A569-L571 VanDerWaalsContact C-N 3.27Å; A569-L571 PolarHBondContact O-N 3.4Å; A569-A572 WeakPolarHBondContact O-CB 3.46Å; A569-A572 PolarHBondContact O-N 3.26Å
570	W	48.8	Very low	41.7	Very low	137 Å²	137	66.1 Å²	66.1	52%	0.519	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.2	175.7	65.3	-96.5	0	0	0	113.8	Q53 P568	Q53-W570 HydrophobicContact CB-CH2 4.37Å; Q53-W570 VanDerWaalsContact OE1-CH2 3.32Å; P568-W570 VanDerWaalsContact CB-CD1 3.46Å; P568-W570 HydrophobicContact CB-CD2 4.37Å; P568-W570 HydrophobicContact CB-CG 4.19Å; P568-W570 HydrophobicContact CB-CZ2 4.43Å; P568-W570 HydrophobicContact CG-CZ2 4.39Å; P568-W570 PolarHBondContact O-N 3.08Å; P568-W570 VanDerWaalsContact O-N 3.07Å
571	L	43.2	Very low	42.6	Very low	6 Å²	6	64.8 Å²	64.8	3%	0.031	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.7	174.5	-108.1	154.7	0	0	0	112	L50 L54 L567 P568 A569 E573 L574	L50-L571 HydrophobicContact CD1-CD1 3.94Å; L50-L571 HydrophobicContact CD1-CD2 3.5Å; L50-L571 VanDerWaalsContact CD1-CD2 3.5Å; L50-L571 HydrophobicContact CD1-CG 4.18Å; L50-L571 HydrophobicContact CD2-CD2 4.32Å; L54-L571 HydrophobicContact CD2-CD1 3.69Å; L54-L571 HydrophobicContact CG-CD1 4.44Å; L567-L571 HydrophobicContact CB-CB 4.27Å; L567-L571 HydrophobicContact CD2-CB 4.19Å; L567-L571 HydrophobicContact CD2-CD2 4.24Å; P568-L571 HydrophobicContact CB-CB 4.33Å; P568-L571 HydrophobicContact CB-CD1 4.39Å; P568-L571 HydrophobicContact CG-CD1 3.83Å; P568-L571 WeakPolarHBondContact O-CA 3.42Å; P568-L571 VanDerWaalsContact O-CB 3.25Å; P568-L571 WeakPolarHBondContact O-CB 3.4Å; P568-L571 PolarHBondContact O-N 3.05Å; A569-L571 VanDerWaalsContact C-N 3.27Å; A569-L571 PolarHBondContact O-N 3.4Å; L571-E573 PolarHBondContact O-N 2.96Å; L571-L574 HydrophobicContact CD2-CD1 3.23Å; L571-L574 HydrophobicContact CD2-CG 4.48Å; L571-L574 HydrophobicContact CG-CD1 4.04Å; L571-L574 WeakPolarHBondContact O-CB 3.22Å; L571-L574 PolarHBondContact O-N 2.96Å
572	A	47.3	Very low	43.5	Very low	75 Å²	75	60 Å²	60	62%	0.62	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.2	175.8	0	0	0	0	0	112.8	P568 A569 L574	P568-A572 PolarHBondContact O-N 2.8Å; A569-A572 WeakPolarHBondContact O-CB 3.46Å; A569-A572 PolarHBondContact O-N 3.26Å; A572-L574 VanDerWaalsContact C-N 3.32Å
573	E	46.4	Very low	44	Very low	173 Å²	173	55.2 Å²	55.2	81%	0.808	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.2	174.3	-65	-177	176.8	0	0	113.3	L571 S575	L571-E573 PolarHBondContact O-N 2.96Å; E573-S575 PolarHBondContact O-N 2.7Å
574	L	39	Very low	44.3	Very low	69 Å²	69	54.2 Å²	54.2	36%	0.361	29%	0.29	S	S	.	.			trans	-77.9	105.9	176.8	-84.5	155.5	0	0	0	111	L512 L571 A572 A576	L512-L574 HydrophobicContact CD1-CB 4.41Å; L512-L574 HydrophobicContact CD1-CD2 4.38Å; L571-L574 HydrophobicContact CD2-CD1 3.23Å; L571-L574 HydrophobicContact CD2-CG 4.48Å; L571-L574 HydrophobicContact CG-CD1 4.04Å; L571-L574 WeakPolarHBondContact O-CB 3.22Å; L571-L574 PolarHBondContact O-N 2.96Å; A572-L574 VanDerWaalsContact C-N 3.32Å; L574-A576 PolarHBondContact O-N 3.45Å
575	S	41	Very low	44.3	Very low	70 Å²	70	48.7 Å²	48.7	49%	0.49	27%	0.268	S	S	.	.			trans	-78	92.5	169.1	62.4	0	0	0	0	110.7	D511 E573	D511-S575 CarbonylContact C-O 3.58Å; D511-S575 VanDerWaalsContact C-O 3.3Å; D511-S575 CarbonylContact O-C 3.41Å; E573-S575 PolarHBondContact O-N 2.7Å
576	A	37.9	Very low	44	Very low	9 Å²	9	52.8 Å²	52.8	7%	0.074	29%	0.288	C	S	.	.			trans	-74.6	149.6	-177.6	0	0	0	0	0	113.3	M480 L512 L541 L574	M480-A576 HydrophobicContact CE-CB 3.59Å; M480-A576 HydrophobicContact CG-CB 3.86Å; M480-A576 WeakPolarHBondContact CG-O 3.49Å; M480-A576 HydrophobicContact SD-CB 3.52Å; M480-A576 VanDerWaalsContact SD-CB 3.52Å; M480-A576 PolarHBondContact SD-N 3.46Å; M480-A576 VanDerWaalsContact SD-N 3.42Å; L512-A576 HydrophobicContact CB-CB 3.88Å; L512-A576 HydrophobicContact CD1-CB 3.37Å; L512-A576 HydrophobicContact CG-CB 4.23Å; L541-A576 HydrophobicContact CD2-CB 4.03Å; L574-A576 PolarHBondContact O-N 3.45Å
577	R	49.5	Very low	43.6	Very low	72 Å²	72	54 Å²	54	27%	0.272	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.4	168.5	-67.8	-158	-179	-158.1	0.8	113	L508 N509 Y510 L512	L508-R577 PolarHBondContact O-NH1 2.94Å; N509-R577 VanDerWaalsContact C-NE 3.31Å; N509-R577 PolarHBondContact O-NE 3.31Å; N509-R577 PolarHBondContact O-NH1 3.47Å; N509-R577 PolarHBondContact O-NH2 2.89Å; Y510-R577 WeakPolarHBondContact O-CB 3.41Å; Y510-R577 VanDerWaalsContact O-CD 3.26Å; Y510-R577 WeakPolarHBondContact O-CD 3.2Å; Y510-R577 WeakPolarHBondContact O-CG 3.31Å; L512-R577 CarbonylContact O-C 3.56Å; L512-R577 PolarHBondContact O-N 3.48Å
578	C	44.1	Very low	43.8	Very low	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	117.5	-166.3	-52.4	0	0	0	0	106.3	I478 L483 I514	I478-C578 HydrophobicContact CB-CB 3.95Å; I478-C578 PolarHBondContact N-O 2.91Å; I478-C578 WeakPolarHBondContact O-CB 3.42Å; L483-C578 HydrophobicContact CB-CB 3.79Å; L483-C578 VanDerWaalsContact CB-SG 3.56Å; L483-C578 HydrophobicContact CD1-CB 4.31Å; L483-C578 HydrophobicContact CD2-CB 3.6Å; L483-C578 WeakPolarHBondContact CD2-SG 3.47Å; L483-C578 HydrophobicContact CG-CB 4.04Å; I514-C578 CarbonylContact O-C 3.48Å; I514-C578 WeakPolarHBondContact O-CA 3.45Å
579	F	43.4	Very low	43.8	Very low	19 Å²	19	56.4 Å²	56.4	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.7	176	-63.5	-82.7	0	0	0	109	F468 V475 V476 I514 I515 V516	F468-F579 HydrophobicContact CE2-CB 4.13Å; F468-F579 HydrophobicContact CE2-CD1 4.44Å; F468-F579 HydrophobicContact CE2-CG 4.19Å; F468-F579 HydrophobicContact CZ-CB 4.39Å; F468-F579 HydrophobicContact CZ-CD1 4.18Å; F468-F579 HydrophobicContact CZ-CD2 4.14Å; F468-F579 HydrophobicContact CZ-CE2 4.47Å; F468-F579 AromaticContact CZ-CG 3.97Å; F468-F579 HydrophobicContact CZ-CG 3.97Å; V475-F579 HydrophobicContact CG1-CD1 4.32Å; V476-F579 CarbonylContact O-C 3.53Å; I514-F579 PolarHBondContact O-N 2.7Å; I515-F579 HydrophobicContact CG1-CD2 4.49Å; V516-F579 VanDerWaalsContact CG2-O 3.26Å; V516-F579 WeakPolarHBondContact CG2-O 3.45Å; V516-F579 PolarHBondContact N-O 3.21Å
580	L	48.9	Very low	43.5	Very low	2 Å²	2	54.7 Å²	54.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113	168.8	-171.4	57.9	0	0	0	110.1	V476 I478 V516 L527 I582	V476-L580 HydrophobicContact CB-CB 4.45Å; V476-L580 PolarHBondContact N-O 3.27Å; V476-L580 PolarHBondContact O-N 3.01Å; I478-L580 HydrophobicContact CD1-CB 3.48Å; I478-L580 VanDerWaalsContact CD1-CB 3.48Å; I478-L580 HydrophobicContact CD1-CD1 4.32Å; I478-L580 HydrophobicContact CD1-CD2 4.24Å; I478-L580 HydrophobicContact CD1-CG 4.23Å; I478-L580 HydrophobicContact CG1-CB 3.58Å; V516-L580 HydrophobicContact CG2-CB 4.49Å; V516-L580 HydrophobicContact CG2-CD1 3.83Å; V516-L580 CarbonylContact O-C 3.5Å; V516-L580 WeakPolarHBondContact O-CA 3.32Å; L527-L580 HydrophobicContact CD2-CD1 3.36Å; L580-I582 HydrophobicContact CD2-CD1 4.47Å; L580-I582 HydrophobicContact CD2-CG1 3.97Å; L580-I582 HydrophobicContact CG-CG1 3.88Å
581	I	48.7	Very low	43.2	Very low	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.1	164.9	-42.8	-172.3	0	0	0	108.6	L459 V464 F468 I471 R474 V475 I515 V516 T517 G518 A583	L459-I581 HydrophobicContact CD1-CB 4.08Å; L459-I581 HydrophobicContact CD1-CD1 4.41Å; L459-I581 HydrophobicContact CD1-CG2 3.33Å; V464-I581 HydrophobicContact CG2-CD1 3.34Å; V464-I581 HydrophobicContact CG2-CG1 4.18Å; F468-I581 HydrophobicContact CB-CD1 4.33Å; F468-I581 HydrophobicContact CD2-CD1 3.71Å; F468-I581 HydrophobicContact CD2-CG1 4.31Å; I471-I581 HydrophobicContact CD1-CD1 3.66Å; I471-I581 HydrophobicContact CD1-CG2 4.37Å; I471-I581 HydrophobicContact CG2-CG2 4.37Å; R474-I581 WeakPolarHBondContact O-CA 3.22Å; V475-I581 HydrophobicContact CG2-CG1 4.47Å; V475-I581 HydrophobicContact CG2-CG2 4.45Å; I515-I581 HydrophobicContact CG2-CD1 3.95Å; I515-I581 HydrophobicContact CG2-CG1 4.13Å; V516-I581 PolarHBondContact O-N 2.92Å; T517-I581 WeakPolarHBondContact CA-O 3.13Å; G518-I581 PolarHBondContact N-O 3.31Å; I581-A583 PolarHBondContact O-N 2.86Å
582	I	49.9	Very low	43.2	Very low	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.3	-176.2	-63	170.1	0	0	0	108.7	R474 V476 G518 R520 L580 F584 I585	R474-I582 HydrophobicContact CB-CB 4.44Å; R474-I582 VanDerWaalsContact CB-O 3.27Å; R474-I582 WeakPolarHBondContact CB-O 3.41Å; R474-I582 PolarHBondContact O-N 3.1Å; V476-I582 HydrophobicContact CB-CD1 4.09Å; V476-I582 HydrophobicContact CG2-CD1 3.39Å; V476-I582 HydrophobicContact CG2-CG1 4.32Å; G518-I582 WeakPolarHBondContact O-CA 3.17Å; R520-I582 HydrophobicContact CB-CD1 3.6Å; R520-I582 HydrophobicContact CB-CG1 4.01Å; R520-I582 HydrophobicContact CB-CG2 3.7Å; R520-I582 HydrophobicContact CG-CD1 4.19Å; L580-I582 HydrophobicContact CD2-CD1 4.47Å; L580-I582 HydrophobicContact CD2-CG1 3.97Å; L580-I582 HydrophobicContact CG-CG1 3.88Å; I582-F584 VanDerWaalsContact C-N 3.31Å; I582-F584 WeakPolarHBondContact CG2-O 3.25Å; I582-F584 PolarHBondContact O-N 3.31Å; I582-I585 HydrophobicContact CB-CG1 4.46Å; I582-I585 HydrophobicContact CG2-CG1 3.69Å
583	A	48.4	Very low	42.9	Very low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-20	-179.3	0	0	0	0	0	113.6	F409 R458 G518 Y528 I581	F409-A583 WeakPolarHBondContact CE1-O 3.35Å; F409-A583 VanDerWaalsContact CZ-O 3.28Å; F409-A583 WeakPolarHBondContact CZ-O 3.16Å; R458-A583 HydrophobicContact CB-CB 4.24Å; R458-A583 HydrophobicContact CG-CB 3.7Å; G518-A583 PolarHBondContact O-N 3.31Å; Y528-A583 HydrophobicContact CE2-CB 3.84Å; I581-A583 PolarHBondContact O-N 2.86Å
584	F	44.7	Very low	42.7	Very low	29 Å²	29	42.4 Å²	42.4	13%	0.127	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	126.5	175.8	-76.4	-86	0	0	0	110.3	F409 A452 C455 R458 I582	F409-F584 HydrophobicContact CZ-CD1 4.27Å; A452-F584 HydrophobicContact CB-CE1 3.43Å; A452-F584 VanDerWaalsContact CB-CE1 3.43Å; A452-F584 HydrophobicContact CB-CZ 3.68Å; C455-F584 WeakPolarHBondContact O-CE1 3.39Å; C455-F584 WeakPolarHBondContact O-CZ 3.49Å; R458-F584 HydrophobicContact CB-CE2 4.49Å; I582-F584 VanDerWaalsContact C-N 3.31Å; I582-F584 WeakPolarHBondContact CG2-O 3.25Å; I582-F584 PolarHBondContact O-N 3.31Å
585	I	35	Very low	42.9	Very low	67 Å²	67	40.3 Å²	40.3	34%	0.344	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118	160.6	-61	174.4	0	0	0	104.4	R474 I582 S587	R474-I585 HydrophobicContact CG-CD1 4.26Å; I582-I585 HydrophobicContact CB-CG1 4.46Å; I582-I585 HydrophobicContact CG2-CG1 3.69Å; I585-S587 PolarHBondContact O-N 3.03Å
586	H	33.7	Very low	43.1	Very low	112 Å²	112	37.8 Å²	37.8	52%	0.519	20%	0.203	S	C	.	.			trans	-74	120	162.8	-124.4	-36.3	0	0	0	106.2	E453	E453-H586 IonicContact OE2-CE1 3.86Å
587	S	33.1	Very low	43.6	Very low	143 Å²	143	40.5 Å²	40.5	100%	1	22%	0.215	S	C	*	.			trans	-57.4	0	161.3	50.5	0	0	0	0	111.1	K522 I585	K522-S587 WeakPolarHBondContact CE-O 3.44Å; K522-S587 PolarHBondContact NZ-O 2.83Å; I585-S587 PolarHBondContact O-N 3.03Å

Retrieved 587 of 587 residues in 171.3 ms (Link to these results)

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