A0A096M2Q2_POEFO Loading...

Mitochondrial Rho GTPase

Atypical mitochondrial nucleoside-triphosphatase (NTPase) involved in mitochondrial trafficking. Probably involved in control of anterograde transport of mitochondria and their subcellular distribution. Can hydrolyze GTP, ATP and UTP.

AlphaFold DB , UniProt , Accession A0A096M2Q2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	84.3	Confident	199 Å²	199	53 Å²	53	98%	0.98	25%	0.252	S	S	*	.				0	141.1	0	-149.9	162.6	173.2	0	0	108
2	K	58.8	Low	85	Confident	102 Å²	102	50.1 Å²	50.1	44%	0.443	24%	0.238	S	C	.	.			trans	-68.9	145.8	176.5	-76.1	-168	175.6	-174.8	0	110.3	N76 V166	K2-N76 VanDerWaalsContact NZ-CG 3.34Å; K2-N76 PolarHBondContact NZ-ND2 2.95Å; K2-V166 HydrophobicContact CD-CG1 3.81Å
3	Q	71.1	Confident	85.5	Confident	174 Å²	174	51.3 Å²	51.3	81%	0.813	25%	0.252	S	S	*	.	S	Bend	trans	-85.9	-22.6	-177.9	-68.1	-178.2	-17.6	0	0	112.6	P52	Q3-P52 WeakPolarHBondContact O-CD 3.13Å
4	D	87.1	Confident	85.8	Confident	69 Å²	69	61.2 Å²	61.2	37%	0.369	29%	0.293	S	S	.	.			trans	-147.1	165.4	-177.6	64.5	-58.8	0	0	0	110.7
5	V	91	Very high	86.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.3	174	178.1	0	0	0	0	110.9	I7 V51 P52 T53 H54 N76 V77 Q163 V166 L167	V5-I7 HydrophobicContact CG1-CG1 4.12Å; V5-V51 HydrophobicContact CG2-CG1 3.97Å; V5-P52 PolarHBondContact N-O 3.31Å; V5-T53 CarbonylContact O-C 3.53Å; V5-T53 WeakPolarHBondContact O-CA 3.49Å; V5-H54 PolarHBondContact O-N 3.49Å; V5-N76 WeakPolarHBondContact CA-OD1 3.31Å; V5-V77 HydrophobicContact CG1-CG1 4.49Å; V5-Q163 HydrophobicContact CG2-CG 4.31Å; V5-V166 HydrophobicContact CG1-CB 4.2Å; V5-V166 HydrophobicContact CG1-CG1 4.37Å; V5-V166 HydrophobicContact CG1-CG2 3.98Å; V5-V166 HydrophobicContact CG2-CB 4.41Å; V5-V166 HydrophobicContact CG2-CG1 4.15Å; V5-L167 HydrophobicContact CG2-CD2 4.06Å; V5-L167 HydrophobicContact CG2-CG 4.29Å
6	R	94.7	Very high	86.8	Confident	36 Å²	36	54.5 Å²	54.5	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.3	171.5	-164.4	179.6	-170.9	75.2	2	111.5	E39 H54 V56 E71 N76 V77	R6-E39 IonicContact CZ-OE1 2.97Å; R6-E39 IonicContact CZ-OE2 2.69Å; R6-E39 VanDerWaalsContact NH1-CD 3.3Å; R6-E39 IonicContact NH1-OE1 3.16Å; R6-E39 PolarHBondContact NH1-OE1 2.92Å; R6-E39 IonicContact NH1-OE2 3.29Å; R6-E39 PolarHBondContact NH1-OE2 3.46Å; R6-E39 IonicContact NH2-OE1 2.84Å; R6-E39 IonicContact NH2-OE2 2.98Å; R6-E39 PolarHBondContact NH2-OE2 2.92Å; R6-H54 HydrophobicContact CG-CB 4.37Å; R6-V56 HydrophobicContact CG-CG2 3.95Å; R6-V56 VanDerWaalsContact CZ-CG2 3.46Å; R6-E71 IonicContact CZ-OE2 3.94Å; R6-E71 IonicContact NE-OE2 3.93Å; R6-E71 PolarHBondContact NE-OE2 3.49Å; R6-E71 IonicContact NH2-OE1 3.14Å; R6-E71 PolarHBondContact NH2-OE1 3.45Å; R6-E71 IonicContact NH2-OE2 2.71Å; R6-E71 PolarHBondContact NH2-OE2 3.42Å; R6-N76 PolarHBondContact N-OD1 3.23Å; R6-N76 PolarHBondContact O-N 3Å; R6-V77 PolarHBondContact O-N 3.14Å
7	I	95.5	Very high	87.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.2	176.4	-52.4	179.7	0	0	0	108.8	V5 L9 T53 H54 I55 V56 V77 F159 A162	V5-I7 HydrophobicContact CG1-CG1 4.12Å; I7-L9 HydrophobicContact CG2-CD1 4.17Å; I7-T53 HydrophobicContact CD1-CG2 3.41Å; I7-T53 VanDerWaalsContact CD1-CG2 3.41Å; I7-T53 HydrophobicContact CG1-CG2 3.88Å; I7-H54 PolarHBondContact N-O 2.94Å; I7-I55 HydrophobicContact CD1-CG1 4.46Å; I7-V56 PolarHBondContact O-N 2.68Å; I7-V77 HydrophobicContact CB-CG1 4.15Å; I7-V77 HydrophobicContact CG1-CG1 3.74Å; I7-V77 HydrophobicContact CG2-CG1 4.18Å; I7-F159 HydrophobicContact CD1-CD1 3.96Å; I7-A162 HydrophobicContact CD1-CB 3.83Å; I7-A162 HydrophobicContact CG1-CB 4.35Å; I7-A162 HydrophobicContact CG2-CB 4.25Å
8	L	96.3	Very high	87.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.4	177.2	178.6	63.5	0	0	0	111.2	L10 V56 E71 I72 A75 V77 V78 C79	L8-L10 HydrophobicContact CD1-CD2 4.18Å; L8-L10 HydrophobicContact CD2-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD2 3.85Å; L8-L10 HydrophobicContact CD2-CG 4.09Å; L8-L10 HydrophobicContact CG-CD2 3.81Å; L8-L10 HydrophobicContact CG-CG 4.04Å; L8-V56 HydrophobicContact CD1-CB 3.85Å; L8-V56 HydrophobicContact CD1-CG1 3.74Å; L8-E71 HydrophobicContact CD1-CB 4.12Å; L8-E71 HydrophobicContact CD2-CB 4.02Å; L8-I72 HydrophobicContact CD2-CB 4.46Å; L8-I72 HydrophobicContact CD2-CG1 3.67Å; L8-A75 HydrophobicContact CB-CB 3.78Å; L8-A75 HydrophobicContact CD2-CB 4.17Å; L8-V77 PolarHBondContact N-O 3Å; L8-V77 VanDerWaalsContact N-O 3.08Å; L8-V78 WeakPolarHBondContact O-CA 3.49Å; L8-C79 PolarHBondContact O-N 3.38Å
9	L	96.3	Very high	88	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.4	174.3	-78.8	79.1	0	0	0	111.2	I7 K17 I21 I55 V56 Y58 C79 V81 F159	I7-L9 HydrophobicContact CG2-CD1 4.17Å; L9-K17 HydrophobicContact CB-CB 4.35Å; L9-K17 HydrophobicContact CB-CD 4.43Å; L9-K17 HydrophobicContact CD2-CB 4.35Å; L9-I21 HydrophobicContact CD1-CD1 4.15Å; L9-I21 HydrophobicContact CD1-CG1 4.3Å; L9-I21 HydrophobicContact CD2-CD1 3.94Å; L9-I21 HydrophobicContact CD2-CG1 3.8Å; L9-I21 HydrophobicContact CG-CD1 4.44Å; L9-I55 HydrophobicContact CD1-CG2 3.8Å; L9-V56 PolarHBondContact N-O 3.33Å; L9-Y58 PolarHBondContact O-N 2.88Å; L9-C79 WeakPolarHBondContact CA-O 3.47Å; L9-C79 HydrophobicContact CG-CB 4.07Å; L9-V81 HydrophobicContact CD2-CG2 4.22Å; L9-V81 HydrophobicContact CG-CG2 4.49Å; L9-F159 HydrophobicContact CD1-CE1 4.15Å
10	L	94.6	Very high	88.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	168.7	176.1	-61.1	-170.6	0	0	0	111.6	L8 K17 Y58 L68 I72 V78 C79 V81 W97 V101	L8-L10 HydrophobicContact CD1-CD2 4.18Å; L8-L10 HydrophobicContact CD2-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD2 3.85Å; L8-L10 HydrophobicContact CD2-CG 4.09Å; L8-L10 HydrophobicContact CG-CD2 3.81Å; L8-L10 HydrophobicContact CG-CG 4.04Å; L10-K17 VanDerWaalsContact C-CD 3.4Å; L10-K17 WeakPolarHBondContact O-CD 3.4Å; L10-Y58 HydrophobicContact CD2-CD1 4.02Å; L10-Y58 HydrophobicContact CD2-CG 3.9Å; L10-L68 HydrophobicContact CD1-CD1 4.17Å; L10-L68 HydrophobicContact CD2-CD1 3.44Å; L10-L68 VanDerWaalsContact CD2-CD1 3.44Å; L10-L68 HydrophobicContact CG-CD1 4.47Å; L10-I72 HydrophobicContact CD1-CD1 3.82Å; L10-I72 HydrophobicContact CD1-CG1 3.98Å; L10-V78 HydrophobicContact CB-CG1 4.22Å; L10-V78 HydrophobicContact CD1-CG1 3.67Å; L10-V78 HydrophobicContact CG-CG1 3.78Å; L10-C79 PolarHBondContact N-O 2.9Å; L10-V81 PolarHBondContact O-N 3.04Å; L10-W97 HydrophobicContact CB-CE3 3.9Å; L10-W97 HydrophobicContact CB-CZ3 4.1Å; L10-W97 HydrophobicContact CD1-CE3 4.19Å; L10-W97 HydrophobicContact CD1-CZ3 4.43Å; L10-W97 HydrophobicContact CD2-CZ3 4.49Å; L10-V101 HydrophobicContact CD1-CG2 3.69Å
11	G	93.2	Very high	88.6	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	22%	0.215	C	C	.	.			trans	129.7	168.5	-179.6	0	0	0	0	0	113.2	K17 V81 W97	G11-K17 PolarHBondContact O-NZ 2.93Å; G11-V81 WeakPolarHBondContact CA-O 3.28Å; G11-W97 VanDerWaalsContact C-CZ2 3.42Å
12	E	93.4	Very high	90.7	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.084	18%	0.183	C	C	.	.			trans	-60.4	159.9	-170.6	-70.2	-64.4	109.7	0	0	114.4	V15 T89 K92 K96 W97	E12-V15 HydrophobicContact CB-CG1 3.81Å; E12-V15 VanDerWaalsContact O-CG2 3.25Å; E12-V15 WeakPolarHBondContact O-CG2 3.42Å; E12-T89 HydrophobicContact CB-CG2 4.28Å; E12-T89 HydrophobicContact CG-CG2 4.39Å; E12-K92 HydrophobicContact CG-CB 4.35Å; E12-K92 HydrophobicContact CG-CD 3.68Å; E12-K92 WeakPolarHBondContact OE2-CD 3.37Å; E12-K92 WeakPolarHBondContact OE2-CE 3.42Å; E12-K92 IonicContact OE2-NZ 3.8Å; E12-K92 PolarHBondContact OE2-NZ 2.92Å; E12-K96 IonicContact OE1-NZ 3.73Å; E12-W97 WeakPolarHBondContact OE1-CZ2 3.39Å; E12-W97 PolarHBondContact OE1-NE1 2.68Å
13	P	90.7	Very high	92.3	Very high	66 Å²	66	32.5 Å²	32.5	43%	0.429	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	141.1	168.7	-25.6	35.3	0	0	0	112.1	V15 E60	P13-V15 VanDerWaalsContact C-N 3.28Å; P13-V15 PolarHBondContact O-N 3.32Å; P13-E60 WeakPolarHBondContact CG-OE2 3.44Å
14	K	90.6	Very high	93.2	Very high	190 Å²	190	26 Å²	26	83%	0.826	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	10.9	176.4	-49.3	177.8	-178.5	176.6	0	117	G16 K119	K14-G16 PolarHBondContact O-N 2.78Å; K14-K119 WeakPolarHBondContact O-CE 3.45Å; K14-K119 PolarHBondContact O-NZ 3.32Å
15	V	93.8	Very high	93.3	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-71.3	-16.5	169.2	-56.8	0	0	0	0	113.3	E12 P13 K17 V81 D83 T89 N118	E12-V15 HydrophobicContact CB-CG1 3.81Å; E12-V15 VanDerWaalsContact O-CG2 3.25Å; E12-V15 WeakPolarHBondContact O-CG2 3.42Å; P13-V15 VanDerWaalsContact C-N 3.28Å; P13-V15 PolarHBondContact O-N 3.32Å; V15-K17 HydrophobicContact CG2-CD 4.32Å; V15-K17 HydrophobicContact CG2-CG 3.61Å; V15-V81 HydrophobicContact CB-CG1 4.25Å; V15-V81 HydrophobicContact CG2-CB 3.83Å; V15-V81 HydrophobicContact CG2-CG1 3.74Å; V15-D83 HydrophobicContact CG1-CB 4.39Å; V15-T89 HydrophobicContact CG1-CG2 4.02Å; V15-N118 PolarHBondContact O-ND2 2.91Å
16	G	92.9	Very high	93.1	Very high	13 Å²	13	29.1 Å²	29.1	13%	0.134	16%	0.164	C	C	.	.			trans	95.6	33.8	174	0	0	0	0	0	115.6	K14 S19 L20 N118	K14-G16 PolarHBondContact O-N 2.78Å; G16-S19 WeakPolarHBondContact O-CB 3.36Å; G16-S19 PolarHBondContact O-N 2.95Å; G16-L20 PolarHBondContact O-N 3.38Å; G16-L20 VanDerWaalsContact O-N 3.08Å; G16-N118 PolarHBondContact O-ND2 3.41Å
17	K	94.6	Very high	92.8	Very high	17 Å²	17	35.1 Å²	35.1	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-59.3	175.8	-50.8	-164.3	-58.7	-85.6	0	111.9	L9 L10 G11 V15 S19 L20 I21 D57 Y58 V81	L9-K17 HydrophobicContact CB-CB 4.35Å; L9-K17 HydrophobicContact CB-CD 4.43Å; L9-K17 HydrophobicContact CD2-CB 4.35Å; L10-K17 VanDerWaalsContact C-CD 3.4Å; L10-K17 WeakPolarHBondContact O-CD 3.4Å; G11-K17 PolarHBondContact O-NZ 2.93Å; V15-K17 HydrophobicContact CG2-CD 4.32Å; V15-K17 HydrophobicContact CG2-CG 3.61Å; K17-S19 PolarHBondContact O-N 3.34Å; K17-L20 WeakPolarHBondContact O-CB 3.29Å; K17-L20 PolarHBondContact O-N 3.15Å; K17-I21 PolarHBondContact O-N 3.2Å; K17-D57 VanDerWaalsContact CB-OD1 3.3Å; K17-D57 WeakPolarHBondContact CB-OD1 3.4Å; K17-Y58 WeakPolarHBondContact CE-O 3.33Å; K17-Y58 PolarHBondContact NZ-O 2.88Å; K17-V81 HydrophobicContact CD-CB 4.48Å; K17-V81 HydrophobicContact CD-CG2 4.4Å; K17-V81 HydrophobicContact CG-CB 4.01Å; K17-V81 HydrophobicContact CG-CG1 4.48Å; K17-V81 HydrophobicContact CG-CG2 4.01Å
18	T	94.3	Very high	92.5	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-52.5	-40.1	174.4	-39.5	0	0	0	0	112.6	I21 M22 V33 P34 A37 D57	T18-I21 PolarHBondContact O-N 2.63Å; T18-M22 HydrophobicContact CG2-SD 4.29Å; T18-M22 WeakPolarHBondContact O-CG 3.23Å; T18-M22 PolarHBondContact O-N 3.42Å; T18-V33 HydrophobicContact CG2-CG1 3.78Å; T18-P34 HydrophobicContact CG2-CG 3.91Å; T18-A37 HydrophobicContact CG2-CB 4.05Å; T18-D57 WeakPolarHBondContact CA-OD2 3.47Å; T18-D57 VanDerWaalsContact CB-OD2 3.27Å; T18-D57 WeakPolarHBondContact CB-OD2 3.47Å; T18-D57 PolarHBondContact OG1-OD2 2.89Å
19	S	94.7	Very high	92.2	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-39	177.5	-49.3	0	0	0	0	112.9	G16 K17 I21 S23	G16-S19 WeakPolarHBondContact O-CB 3.36Å; G16-S19 PolarHBondContact O-N 2.95Å; K17-S19 PolarHBondContact O-N 3.34Å; S19-I21 VanDerWaalsContact C-N 3.31Å; S19-I21 PolarHBondContact O-N 3.16Å; S19-S23 WeakPolarHBondContact O-CB 3.46Å; S19-S23 PolarHBondContact O-N 3.03Å; S19-S23 PolarHBondContact O-OG 3.45Å
20	L	94.6	Very high	91.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-37	175.4	-71.5	165.7	0	0	0	111.8	G16 K17 L24 V81 V116 N118 C147 A149 I155 L158	G16-L20 PolarHBondContact O-N 3.38Å; G16-L20 VanDerWaalsContact O-N 3.08Å; K17-L20 WeakPolarHBondContact O-CB 3.29Å; K17-L20 PolarHBondContact O-N 3.15Å; L20-L24 PolarHBondContact O-N 3.05Å; L20-V81 HydrophobicContact CD1-CG1 3.91Å; L20-V81 HydrophobicContact CD1-CG2 4.28Å; L20-V116 HydrophobicContact CD1-CG1 3.91Å; L20-N118 HydrophobicContact CD1-CB 4.33Å; L20-C147 HydrophobicContact CD2-CB 3.84Å; L20-A149 HydrophobicContact CD2-CB 4.08Å; L20-A149 HydrophobicContact CG-CB 4.38Å; L20-I155 HydrophobicContact CD2-CG1 4.34Å; L20-L158 HydrophobicContact CD1-CD2 4.34Å
21	I	94.1	Very high	91.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	-50.9	179.1	-62	170.2	0	0	0	110.4	L9 K17 T18 S19 S23 L24 V25 A37 I40 I55 D57	L9-I21 HydrophobicContact CD1-CD1 4.15Å; L9-I21 HydrophobicContact CD1-CG1 4.3Å; L9-I21 HydrophobicContact CD2-CD1 3.94Å; L9-I21 HydrophobicContact CD2-CG1 3.8Å; L9-I21 HydrophobicContact CG-CD1 4.44Å; K17-I21 PolarHBondContact O-N 3.2Å; T18-I21 PolarHBondContact O-N 2.63Å; S19-I21 VanDerWaalsContact C-N 3.31Å; S19-I21 PolarHBondContact O-N 3.16Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 2.78Å; I21-L24 WeakPolarHBondContact O-CB 2.88Å; I21-L24 PolarHBondContact O-N 3.29Å; I21-L24 VanDerWaalsContact O-N 3.15Å; I21-V25 PolarHBondContact O-N 3.49Å; I21-A37 HydrophobicContact CB-CB 4.44Å; I21-A37 HydrophobicContact CD1-CB 4.37Å; I21-A37 HydrophobicContact CG2-CB 4.01Å; I21-I40 HydrophobicContact CG2-CD1 3.43Å; I21-I40 VanDerWaalsContact CG2-CD1 3.43Å; I21-I40 HydrophobicContact CG2-CG1 3.99Å; I21-I55 HydrophobicContact CD1-CG2 3.93Å; I21-I55 HydrophobicContact CG1-CG2 3.8Å; I21-I55 HydrophobicContact CG2-CG2 4.21Å; I21-D57 HydrophobicContact CD1-CB 3.51Å
22	M	92.9	Very high	91.1	Very high	63 Å²	63	66.8 Å²	66.8	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-40	178.9	-70.4	-174.2	78	0	0	112.2	T18 L24 V25 G26 P30 P34	T18-M22 HydrophobicContact CG2-SD 4.29Å; T18-M22 WeakPolarHBondContact O-CG 3.23Å; T18-M22 PolarHBondContact O-N 3.42Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 3Å; M22-V25 PolarHBondContact O-N 2.73Å; M22-V25 VanDerWaalsContact O-N 3.17Å; M22-G26 PolarHBondContact O-N 3Å; M22-P30 HydrophobicContact CB-CB 4.49Å; M22-P30 HydrophobicContact CB-CG 3.91Å; M22-P30 HydrophobicContact CE-CB 3.88Å; M22-P30 HydrophobicContact CE-CG 4.4Å; M22-P30 HydrophobicContact SD-CB 4.16Å; M22-P30 HydrophobicContact SD-CG 4.08Å; M22-P34 WeakPolarHBondContact SD-CD 3.4Å; M22-P34 HydrophobicContact SD-CG 4.01Å
23	S	92.8	Very high	90.8	Very high	4 Å²	4	68.8 Å²	68.8	3%	0.028	35%	0.345	C	S	.	.	H	α-helix	trans	-72.6	-14.4	177	-69	0	0	0	0	114.6	S19 I21 E28 P30 A149	S19-S23 WeakPolarHBondContact O-CB 3.46Å; S19-S23 PolarHBondContact O-N 3.03Å; S19-S23 PolarHBondContact O-OG 3.45Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 2.78Å; S23-E28 VanDerWaalsContact CA-O 3.28Å; S23-E28 WeakPolarHBondContact CA-O 3.27Å; S23-E28 VanDerWaalsContact CB-O 3.31Å; S23-E28 WeakPolarHBondContact CB-O 3.37Å; S23-E28 PolarHBondContact OG-O 3.26Å; S23-P30 WeakPolarHBondContact OG-CD 3.3Å; S23-A149 PolarHBondContact OG-O 3.38Å
24	L	90.1	Very high	90.7	Very high	37 Å²	37	68 Å²	68	19%	0.194	34%	0.34	C	S	.	.	H	α-helix	trans	-74	-38.9	166.7	-178.6	70.4	0	0	0	111.3	L20 I21 M22 I42 I55 I155 F159	L20-L24 PolarHBondContact O-N 3.05Å; I21-L24 WeakPolarHBondContact O-CB 2.88Å; I21-L24 PolarHBondContact O-N 3.29Å; I21-L24 VanDerWaalsContact O-N 3.15Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 3Å; L24-I42 HydrophobicContact CD2-CD1 3.79Å; L24-I55 HydrophobicContact CD2-CD1 3.64Å; L24-I155 HydrophobicContact CB-CG2 3.89Å; L24-I155 HydrophobicContact CD1-CG2 4.05Å; L24-F159 HydrophobicContact CB-CE2 4.13Å; L24-F159 HydrophobicContact CD1-CD2 3.95Å; L24-F159 HydrophobicContact CD1-CE2 4.37Å; L24-F159 HydrophobicContact CD2-CD1 4.39Å; L24-F159 HydrophobicContact CD2-CD2 3.57Å; L24-F159 HydrophobicContact CD2-CE1 4.48Å; L24-F159 HydrophobicContact CD2-CE2 3.7Å; L24-F159 HydrophobicContact CD2-CG 3.95Å; L24-F159 HydrophobicContact CD2-CZ 4.16Å; L24-F159 HydrophobicContact CG-CD2 4.23Å; L24-F159 HydrophobicContact CG-CE2 4.28Å
25	V	88.6	Confident	90.5	Very high	89 Å²	89	62.2 Å²	62.2	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-90.5	-38.4	-171.4	177	0	0	0	0	113.1	I21 M22 I40	I21-V25 PolarHBondContact O-N 3.49Å; M22-V25 PolarHBondContact O-N 2.73Å; M22-V25 VanDerWaalsContact O-N 3.17Å; V25-I40 HydrophobicContact CB-CD1 4.48Å; V25-I40 HydrophobicContact CG2-CD1 3.64Å; V25-I40 HydrophobicContact CG2-CG2 3.86Å
26	G	86.3	Confident	90.4	Very high	46 Å²	46	66 Å²	66	47%	0.474	34%	0.336	S	S	.	.	S	Bend	trans	-87.5	-7.5	178.7	0	0	0	0	0	114.6	M22 E28	M22-G26 PolarHBondContact O-N 3Å; G26-E28 PolarHBondContact O-N 2.78Å
27	E	87.7	Confident	90.2	Very high	162 Å²	162	65.8 Å²	65.8	76%	0.757	33%	0.332	S	S	*	.	S	Bend	trans	50.9	22.6	-171.2	-58.2	-166.4	159.1	0	0	114.6	L152	E27-L152 WeakPolarHBondContact O-CD1 3.39Å
28	E	89.8	Confident	89.9	Confident	134 Å²	134	72.8 Å²	72.8	63%	0.626	37%	0.365	S	S	*	.	S	Bend	trans	-144.7	170.6	178.6	70	179.5	177.5	0	0	111.8	S23 G26	S23-E28 VanDerWaalsContact CA-O 3.28Å; S23-E28 WeakPolarHBondContact CA-O 3.27Å; S23-E28 VanDerWaalsContact CB-O 3.31Å; S23-E28 WeakPolarHBondContact CB-O 3.37Å; S23-E28 PolarHBondContact OG-O 3.26Å; G26-E28 PolarHBondContact O-N 2.78Å
29	F	89.8	Confident	89.7	Confident	90 Å²	90	76.4 Å²	76.4	40%	0.395	38%	0.382	S	S	.	.			trans	-89.7	117.8	174.4	-176.1	-101.6	0	0	0	110.7	E31 A149 K150	F29-E31 PolarHBondContact O-N 2.7Å; F29-A149 HydrophobicContact CD2-CB 4.23Å; F29-A149 HydrophobicContact CE2-CB 4.16Å; F29-K150 VanDerWaalsContact CD2-CA 3.47Å; F29-K150 HydrophobicContact CD2-CB 4.16Å; F29-K150 HydrophobicContact CE2-CB 4.39Å; F29-K150 HydrophobicContact CG-CB 4.41Å; F29-K150 HydrophobicContact CG-CG 4.46Å
30	P	87.6	Confident	89.6	Confident	15 Å²	15	77.8 Å²	77.8	10%	0.097	39%	0.387	C	S	.	.			trans	-66.2	127.1	-176	26.6	-36.7	0	0	0	112.6	M22 S23 R32 V33	M22-P30 HydrophobicContact CB-CB 4.49Å; M22-P30 HydrophobicContact CB-CG 3.91Å; M22-P30 HydrophobicContact CE-CB 3.88Å; M22-P30 HydrophobicContact CE-CG 4.4Å; M22-P30 HydrophobicContact SD-CB 4.16Å; M22-P30 HydrophobicContact SD-CG 4.08Å; S23-P30 WeakPolarHBondContact OG-CD 3.3Å; P30-R32 VanDerWaalsContact C-N 3.25Å; P30-R32 PolarHBondContact O-N 3.31Å; P30-V33 HydrophobicContact CG-CG2 4.09Å
31	E	85	Confident	89.4	Confident	205 Å²	205	81.2 Å²	81.2	96%	0.958	41%	0.409	S	S	*	.	S	Bend	trans	-59.9	-35.8	175.9	-63.4	-167.5	152.2	0	0	112.7	F29	F29-E31 PolarHBondContact O-N 2.7Å
32	R	88.2	Confident	89	Confident	223 Å²	223	82.9 Å²	82.9	84%	0.842	42%	0.417	S	S	*	.	S	Bend	trans	-125.7	112.5	178.9	-174	176.3	-179.8	175.8	-0.9	110.3	P30	P30-R32 VanDerWaalsContact C-N 3.25Å; P30-R32 PolarHBondContact O-N 3.31Å
33	V	88	Confident	88.7	Confident	60 Å²	60	83.2 Å²	83.2	36%	0.364	42%	0.424	S	S	.	.			trans	-92.3	123.1	178.4	-168	0	0	0	0	109.6	T18 P30	T18-V33 HydrophobicContact CG2-CG1 3.78Å; P30-V33 HydrophobicContact CG-CG2 4.09Å
34	P	89.1	Confident	88.2	Confident	51 Å²	51	84.2 Å²	84.2	33%	0.331	43%	0.432	S	S	.	.			trans	-69.1	165.5	171.4	29.5	-31.9	0	0	0	111.2	T18 M22 R36	T18-P34 HydrophobicContact CG2-CG 3.91Å; M22-P34 WeakPolarHBondContact SD-CD 3.4Å; M22-P34 HydrophobicContact SD-CG 4.01Å; P34-R36 WeakPolarHBondContact CG-O 3.4Å; P34-R36 PolarHBondContact O-N 2.6Å
35	P	85.9	Confident	87.7	Confident	68 Å²	68	89.9 Å²	89.9	44%	0.442	46%	0.463	S	S	.	.	S	Bend	trans	-64.9	-20.5	175.8	27.3	-37.7	0	0	0	114.7	S59 E62	P35-S59 VanDerWaalsContact O-CB 3.29Å; P35-S59 WeakPolarHBondContact O-CB 3.25Å; P35-S59 PolarHBondContact O-OG 2.9Å; P35-E62 WeakPolarHBondContact CG-OE1 3.47Å
36	R	91.4	Very high	87.2	Confident	82 Å²	82	90.9 Å²	90.9	31%	0.309	47%	0.469	S	S	.	.	S	Bend	trans	-154.7	147.9	177.6	-163.7	177.3	59.5	92.4	2	109.1	P34 D57 E62 Q63	P34-R36 WeakPolarHBondContact CG-O 3.4Å; P34-R36 PolarHBondContact O-N 2.6Å; R36-D57 WeakPolarHBondContact CA-OD2 3.29Å; R36-D57 WeakPolarHBondContact CD-O 3.31Å; R36-D57 HydrophobicContact CG-CB 4.01Å; R36-D57 WeakPolarHBondContact CG-O 3.41Å; R36-E62 VanDerWaalsContact CB-OE2 3.28Å; R36-E62 WeakPolarHBondContact CB-OE2 3.35Å; R36-E62 WeakPolarHBondContact CD-OE2 3.45Å; R36-E62 IonicContact CZ-OE2 2.6Å; R36-E62 IonicContact NE-OE2 3.99Å; R36-E62 PolarHBondContact NE-OE2 2.83Å; R36-E62 IonicContact NH2-OE2 2.68Å; R36-Q63 VanDerWaalsContact CD-OE1 3.29Å
37	A	89.1	Confident	86.6	Confident	7 Å²	7	89.4 Å²	89.4	6%	0.058	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-84.1	152.8	166.7	0	0	0	0	0	111.3	T18 I21 D57	T18-A37 HydrophobicContact CG2-CB 4.05Å; I21-A37 HydrophobicContact CB-CB 4.44Å; I21-A37 HydrophobicContact CD1-CB 4.37Å; I21-A37 HydrophobicContact CG2-CB 4.01Å; A37-D57 HydrophobicContact CB-CB 4.02Å; A37-D57 PolarHBondContact N-OD2 2.84Å
38	E	88.2	Confident	85.5	Confident	164 Å²	164	86.4 Å²	86.4	77%	0.766	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-66.5	158.7	163.6	-65.5	-176.1	175.2	0	0	110.3	I40	E38-I40 VanDerWaalsContact O-CG1 3.29Å; E38-I40 WeakPolarHBondContact O-CG1 3.28Å; E38-I40 PolarHBondContact O-N 3.07Å
39	E	90.3	Very high	84.5	Confident	91 Å²	91	82.3 Å²	82.3	43%	0.425	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-69.1	121	179.1	-175.7	173	148.6	0	0	110.2	R6 H54 V56	R6-E39 IonicContact CZ-OE1 2.97Å; R6-E39 IonicContact CZ-OE2 2.69Å; R6-E39 VanDerWaalsContact NH1-CD 3.3Å; R6-E39 IonicContact NH1-OE1 3.16Å; R6-E39 PolarHBondContact NH1-OE1 2.92Å; R6-E39 IonicContact NH1-OE2 3.29Å; R6-E39 PolarHBondContact NH1-OE2 3.46Å; R6-E39 IonicContact NH2-OE1 2.84Å; R6-E39 IonicContact NH2-OE2 2.98Å; R6-E39 PolarHBondContact NH2-OE2 2.92Å; E39-H54 IonicContact OE1-ND1 2.76Å; E39-V56 HydrophobicContact CG-CG2 4.18Å
40	I	91.5	Very high	84	Confident	41 Å²	41	86.1 Å²	86.1	21%	0.21	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.7	-174.5	-51.7	-159.7	0	0	0	109.3	I21 V25 E38 H54 I55	I21-I40 HydrophobicContact CG2-CD1 3.43Å; I21-I40 VanDerWaalsContact CG2-CD1 3.43Å; I21-I40 HydrophobicContact CG2-CG1 3.99Å; V25-I40 HydrophobicContact CB-CD1 4.48Å; V25-I40 HydrophobicContact CG2-CD1 3.64Å; V25-I40 HydrophobicContact CG2-CG2 3.86Å; E38-I40 VanDerWaalsContact O-CG1 3.29Å; E38-I40 WeakPolarHBondContact O-CG1 3.28Å; E38-I40 PolarHBondContact O-N 3.07Å; I40-H54 CarbonylContact O-C 3.52Å; I40-H54 WeakPolarHBondContact O-CA 3.39Å; I40-I55 HydrophobicContact CB-CB 4.47Å; I40-I55 PolarHBondContact N-O 2.99Å; I40-I55 PolarHBondContact O-N 2.78Å
41	T	90.5	Very high	83.7	Confident	73 Å²	73	85.9 Å²	85.9	45%	0.448	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.5	174.1	-57.1	0	0	0	0	110.1	H54	T41-H54 VanDerWaalsContact CG2-CE1 3.47Å; T41-H54 WeakPolarHBondContact CG2-CE1 3.21Å; T41-H54 PolarHBondContact OG1-CE1 3.23Å; T41-H54 PolarHBondContact OG1-ND1 3.29Å
42	I	87.3	Confident	83.9	Confident	36 Å²	36	78.1 Å²	78.1	19%	0.185	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.6	171.1	-54.5	179.5	0	0	0	108	L24 V46 T47 P52 T53 I55	L24-I42 HydrophobicContact CD2-CD1 3.79Å; I42-V46 HydrophobicContact CG2-CB 4.14Å; I42-V46 HydrophobicContact CG2-CG1 4.38Å; I42-T47 HydrophobicContact CB-CG2 4.35Å; I42-T47 HydrophobicContact CG2-CG2 3.7Å; I42-P52 WeakPolarHBondContact O-CA 3.34Å; I42-T53 PolarHBondContact N-O 3.3Å; I42-T53 PolarHBondContact O-N 3.45Å; I42-I55 HydrophobicContact CD1-CD1 3.65Å; I42-I55 HydrophobicContact CG1-CD1 4.19Å
43	P	85	Confident	84	Confident	70 Å²	70	67.8 Å²	67.8	46%	0.455	37%	0.37	S	S	.	.			trans	-62.9	150.5	178.7	-22.8	34.1	0	0	0	112.9	D45 V46	P43-D45 PolarHBondContact O-N 2.96Å; P43-V46 HydrophobicContact CB-CG2 4.47Å; P43-V46 PolarHBondContact O-N 3.34Å; P43-V46 VanDerWaalsContact O-N 3.1Å
44	A	83.4	Confident	84.3	Confident	25 Å²	25	66.9 Å²	66.9	21%	0.207	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-50.2	-44.4	178	0	0	0	0	0	112.6	V46 T47 K50 P52	A44-V46 PolarHBondContact O-N 3.31Å; A44-V46 VanDerWaalsContact O-N 3.1Å; A44-T47 PolarHBondContact O-N 2.92Å; A44-T47 PolarHBondContact O-OG1 2.7Å; A44-K50 WeakPolarHBondContact O-CA 3.34Å; A44-P52 HydrophobicContact CB-CG 4.12Å
45	D	79.3	Confident	84.6	Confident	156 Å²	156	64.5 Å²	64.5	83%	0.834	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.4	-175.5	-54.3	-46.6	0	0	0	114.4	P43	P43-D45 PolarHBondContact O-N 2.96Å
46	V	77.4	Confident	85	Confident	110 Å²	110	61.5 Å²	61.5	67%	0.667	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-96.9	-16.5	179.1	-170.8	0	0	0	0	111.5	I42 P43 A44	I42-V46 HydrophobicContact CG2-CB 4.14Å; I42-V46 HydrophobicContact CG2-CG1 4.38Å; P43-V46 HydrophobicContact CB-CG2 4.47Å; P43-V46 PolarHBondContact O-N 3.34Å; P43-V46 VanDerWaalsContact O-N 3.1Å; A44-V46 PolarHBondContact O-N 3.31Å; A44-V46 VanDerWaalsContact O-N 3.1Å
47	T	73.3	Confident	85.2	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.086	31%	0.312	C	S	.	.	S	Bend	trans	-89.9	140.2	179.5	68.2	0	0	0	0	112	I42 A44 E49 K50 V51	I42-T47 HydrophobicContact CB-CG2 4.35Å; I42-T47 HydrophobicContact CG2-CG2 3.7Å; A44-T47 PolarHBondContact O-N 2.92Å; A44-T47 PolarHBondContact O-OG1 2.7Å; T47-E49 PolarHBondContact O-N 3.42Å; T47-E49 VanDerWaalsContact O-N 3.11Å; T47-K50 PolarHBondContact O-N 2.86Å; T47-K50 VanDerWaalsContact O-N 3.11Å; T47-K50 PolarHBondContact OG1-N 3.02Å; T47-V51 WeakPolarHBondContact CG2-O 3.28Å; T47-V51 PolarHBondContact OG1-N 3.17Å; T47-V51 PolarHBondContact OG1-O 3.07Å; T47-V51 VanDerWaalsContact OG1-O 3.11Å
48	P	65.3	Low	85.4	Confident	99 Å²	99	57.4 Å²	57.4	64%	0.643	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.6	178.2	-26.8	35.4	0	0	0	114.2	Y160	P48-Y160 HydrophobicContact CG-CD2 4.44Å
49	E	69.4	Low	85.5	Confident	48 Å²	48	50.1 Å²	50.1	22%	0.224	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.5	-175.7	-55.1	-61.1	123.8	0	0	113.8	T47 V51 Q163 K164 L167 H168	T47-E49 PolarHBondContact O-N 3.42Å; T47-E49 VanDerWaalsContact O-N 3.11Å; E49-V51 VanDerWaalsContact C-N 3.34Å; E49-V51 HydrophobicContact CB-CG2 4.42Å; E49-V51 PolarHBondContact O-N 3.38Å; E49-Q163 VanDerWaalsContact CG-OE1 3.3Å; E49-K164 VanDerWaalsContact CD-CE 3.42Å; E49-K164 WeakPolarHBondContact OE1-CE 3.21Å; E49-K164 IonicContact OE1-NZ 3.03Å; E49-K164 PolarHBondContact OE1-NZ 3.05Å; E49-K164 IonicContact OE2-NZ 2.73Å; E49-K164 PolarHBondContact OE2-NZ 2.74Å; E49-L167 HydrophobicContact CB-CD1 3.58Å; E49-L167 HydrophobicContact CG-CD1 3.8Å; E49-H168 IonicContact OE2-CE1 2.63Å; E49-H168 IonicContact OE2-NE2 3.42Å
50	K	78.4	Confident	85.2	Confident	170 Å²	170	49.8 Å²	49.8	74%	0.739	28%	0.275	S	S	*	.	S	Bend	trans	57.9	39.5	-174.8	-54	-173.7	179.2	-172.3	0	114.2	A44 T47	A44-K50 WeakPolarHBondContact O-CA 3.34Å; T47-K50 PolarHBondContact O-N 2.86Å; T47-K50 VanDerWaalsContact O-N 3.11Å; T47-K50 PolarHBondContact OG1-N 3.02Å
51	V	81.3	Confident	84.8	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.067	30%	0.301	C	S	.	.			trans	-124.6	125.8	178.4	-176.1	0	0	0	0	110	V5 T47 E49 T53 Q163 L167	V5-V51 HydrophobicContact CG2-CG1 3.97Å; T47-V51 WeakPolarHBondContact CG2-O 3.28Å; T47-V51 PolarHBondContact OG1-N 3.17Å; T47-V51 PolarHBondContact OG1-O 3.07Å; T47-V51 VanDerWaalsContact OG1-O 3.11Å; E49-V51 VanDerWaalsContact C-N 3.34Å; E49-V51 HydrophobicContact CB-CG2 4.42Å; E49-V51 PolarHBondContact O-N 3.38Å; V51-T53 PolarHBondContact O-N 3.03Å; V51-T53 PolarHBondContact O-OG1 3.02Å; V51-Q163 PolarHBondContact O-NE2 3.29Å; V51-L167 HydrophobicContact CB-CD1 4.43Å; V51-L167 HydrophobicContact CG2-CD1 4.01Å; V51-L167 HydrophobicContact CG2-CD2 4.25Å
52	P	88.8	Confident	84.6	Confident	42 Å²	42	57.6 Å²	57.6	27%	0.273	30%	0.303	S	S	.	.			trans	-54.4	135.8	173.9	-21.9	32.8	0	0	0	111.4	Q3 V5 I42 A44	Q3-P52 WeakPolarHBondContact O-CD 3.13Å; V5-P52 PolarHBondContact N-O 3.31Å; I42-P52 WeakPolarHBondContact O-CA 3.34Å; A44-P52 HydrophobicContact CB-CG 4.12Å
53	T	91.7	Very high	84.6	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.6	-175.6	-57	0	0	0	0	110.8	V5 I7 I42 V51 I55 Q163	V5-T53 CarbonylContact O-C 3.53Å; V5-T53 WeakPolarHBondContact O-CA 3.49Å; I7-T53 HydrophobicContact CD1-CG2 3.41Å; I7-T53 VanDerWaalsContact CD1-CG2 3.41Å; I7-T53 HydrophobicContact CG1-CG2 3.88Å; I42-T53 PolarHBondContact N-O 3.3Å; I42-T53 PolarHBondContact O-N 3.45Å; V51-T53 PolarHBondContact O-N 3.03Å; V51-T53 PolarHBondContact O-OG1 3.02Å; T53-I55 HydrophobicContact CG2-CG1 4.49Å; T53-Q163 PolarHBondContact OG1-NE2 2.7Å
54	H	94.4	Very high	84.8	Confident	42 Å²	42	57 Å²	57	19%	0.194	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130	177.9	-56.6	-78.7	0	0	0	109.6	V5 R6 I7 E39 I40 T41	V5-H54 PolarHBondContact O-N 3.49Å; R6-H54 HydrophobicContact CG-CB 4.37Å; I7-H54 PolarHBondContact N-O 2.94Å; E39-H54 IonicContact OE1-ND1 2.76Å; I40-H54 CarbonylContact O-C 3.52Å; I40-H54 WeakPolarHBondContact O-CA 3.39Å; T41-H54 VanDerWaalsContact CG2-CE1 3.47Å; T41-H54 WeakPolarHBondContact CG2-CE1 3.21Å; T41-H54 PolarHBondContact OG1-CE1 3.23Å; T41-H54 PolarHBondContact OG1-ND1 3.29Å
55	I	94.9	Very high	84.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.4	-178.7	-61.1	169.2	0	0	0	108.7	I7 L9 I21 L24 I40 I42 T53 F159	I7-I55 HydrophobicContact CD1-CG1 4.46Å; L9-I55 HydrophobicContact CD1-CG2 3.8Å; I21-I55 HydrophobicContact CD1-CG2 3.93Å; I21-I55 HydrophobicContact CG1-CG2 3.8Å; I21-I55 HydrophobicContact CG2-CG2 4.21Å; L24-I55 HydrophobicContact CD2-CD1 3.64Å; I40-I55 HydrophobicContact CB-CB 4.47Å; I40-I55 PolarHBondContact N-O 2.99Å; I40-I55 PolarHBondContact O-N 2.78Å; I42-I55 HydrophobicContact CD1-CD1 3.65Å; I42-I55 HydrophobicContact CG1-CD1 4.19Å; T53-I55 HydrophobicContact CG2-CG1 4.49Å; I55-F159 HydrophobicContact CD1-CD1 3.66Å; I55-F159 HydrophobicContact CD1-CE1 3.61Å; I55-F159 HydrophobicContact CD1-CG 4.37Å; I55-F159 HydrophobicContact CD1-CZ 4.29Å; I55-F159 HydrophobicContact CG1-CD1 4.11Å; I55-F159 HydrophobicContact CG1-CE1 3.99Å; I55-F159 HydrophobicContact CG2-CE1 3.81Å; I55-F159 HydrophobicContact CG2-CZ 4.41Å
56	V	94.9	Very high	85.3	Confident	4 Å²	4	60 Å²	60	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	-173.6	-171.5	0	0	0	0	110	R6 I7 L8 L9 E39	R6-V56 HydrophobicContact CG-CG2 3.95Å; R6-V56 VanDerWaalsContact CZ-CG2 3.46Å; I7-V56 PolarHBondContact O-N 2.68Å; L8-V56 HydrophobicContact CD1-CB 3.85Å; L8-V56 HydrophobicContact CD1-CG1 3.74Å; L9-V56 PolarHBondContact N-O 3.33Å; E39-V56 HydrophobicContact CG-CG2 4.18Å
57	D	94.5	Very high	85.8	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.7	173	-164	15.4	0	0	0	110.6	K17 T18 I21 R36 A37	K17-D57 VanDerWaalsContact CB-OD1 3.3Å; K17-D57 WeakPolarHBondContact CB-OD1 3.4Å; T18-D57 WeakPolarHBondContact CA-OD2 3.47Å; T18-D57 VanDerWaalsContact CB-OD2 3.27Å; T18-D57 WeakPolarHBondContact CB-OD2 3.47Å; T18-D57 PolarHBondContact OG1-OD2 2.89Å; I21-D57 HydrophobicContact CD1-CB 3.51Å; R36-D57 WeakPolarHBondContact CA-OD2 3.29Å; R36-D57 WeakPolarHBondContact CD-O 3.31Å; R36-D57 HydrophobicContact CG-CB 4.01Å; R36-D57 WeakPolarHBondContact CG-O 3.41Å; A37-D57 HydrophobicContact CB-CB 4.02Å; A37-D57 PolarHBondContact N-OD2 2.84Å
58	Y	92.8	Very high	86.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.008	29%	0.288	C	S	.	.			trans	-94.5	128.4	173	176.7	-106.7	0	0	0	112.2	L9 L10 K17 E60 Q63 L68 W97	L9-Y58 PolarHBondContact O-N 2.88Å; L10-Y58 HydrophobicContact CD2-CD1 4.02Å; L10-Y58 HydrophobicContact CD2-CG 3.9Å; K17-Y58 WeakPolarHBondContact CE-O 3.33Å; K17-Y58 PolarHBondContact NZ-O 2.88Å; Y58-E60 HydrophobicContact CE1-CB 4.13Å; Y58-Q63 HydrophobicContact CD2-CB 4.14Å; Y58-Q63 HydrophobicContact CE2-CB 3.65Å; Y58-L68 HydrophobicContact CD1-CD1 3.9Å; Y58-L68 HydrophobicContact CD2-CB 4.29Å; Y58-L68 HydrophobicContact CD2-CD1 3.86Å; Y58-L68 HydrophobicContact CE1-CD1 3.96Å; Y58-L68 HydrophobicContact CE1-CD2 3.98Å; Y58-L68 HydrophobicContact CE1-CG 4.38Å; Y58-L68 HydrophobicContact CE2-CB 3.61Å; Y58-L68 HydrophobicContact CE2-CD1 3.93Å; Y58-L68 HydrophobicContact CE2-CG 4.2Å; Y58-L68 HydrophobicContact CG-CD1 3.85Å; Y58-W97 HydrophobicContact CD1-CH2 4.43Å; Y58-W97 HydrophobicContact CE1-CH2 4.27Å
59	S	90.3	Very high	87.7	Confident	12 Å²	12	59.7 Å²	59.7	8%	0.084	29%	0.286	C	S	.	.			trans	-127	109.9	175.2	-159.5	0	0	0	0	112.7	P35 K61 E62 Q63	P35-S59 VanDerWaalsContact O-CB 3.29Å; P35-S59 WeakPolarHBondContact O-CB 3.25Å; P35-S59 PolarHBondContact O-OG 2.9Å; S59-K61 PolarHBondContact O-N 2.86Å; S59-E62 PolarHBondContact O-N 3.42Å; S59-Q63 PolarHBondContact O-N 2.83Å
60	E	84.4	Confident	88.6	Confident	83 Å²	83	61 Å²	61	39%	0.388	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-8.3	172.9	-167.4	175.2	-126.3	0	0	113.7	P13 Y58 K96	P13-E60 WeakPolarHBondContact CG-OE2 3.44Å; Y58-E60 HydrophobicContact CE1-CB 4.13Å; E60-K96 IonicContact OE1-NZ 2.67Å; E60-K96 PolarHBondContact OE1-NZ 3.26Å
61	K	83.9	Confident	89.2	Confident	175 Å²	175	54 Å²	54	76%	0.761	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-25.7	171.8	-73.2	-170.3	171.5	-167	0	114.6	S59	S59-K61 PolarHBondContact O-N 2.86Å
62	E	86	Confident	89.7	Confident	104 Å²	104	54 Å²	54	49%	0.486	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-24	-172.2	-61.8	-167.7	163.6	0	0	112.8	P35 R36 S59	P35-E62 WeakPolarHBondContact CG-OE1 3.47Å; R36-E62 VanDerWaalsContact CB-OE2 3.28Å; R36-E62 WeakPolarHBondContact CB-OE2 3.35Å; R36-E62 WeakPolarHBondContact CD-OE2 3.45Å; R36-E62 IonicContact CZ-OE2 2.6Å; R36-E62 IonicContact NE-OE2 3.99Å; R36-E62 PolarHBondContact NE-OE2 2.83Å; R36-E62 IonicContact NH2-OE2 2.68Å; S59-E62 PolarHBondContact O-N 3.42Å
63	Q	88	Confident	89.6	Confident	33 Å²	33	58 Å²	58	15%	0.154	29%	0.287	C	S	.	.	S	Bend	trans	-121.3	143.6	-173.4	-64.8	168.3	-69.5	0	0	109.9	R36 Y58 S59 V67	R36-Q63 VanDerWaalsContact CD-OE1 3.29Å; Y58-Q63 HydrophobicContact CD2-CB 4.14Å; Y58-Q63 HydrophobicContact CE2-CB 3.65Å; S59-Q63 PolarHBondContact O-N 2.83Å; Q63-V67 HydrophobicContact CB-CB 4.26Å; Q63-V67 HydrophobicContact CB-CG1 4.12Å; Q63-V67 HydrophobicContact CG-CG1 4.14Å
64	S	89.5	Confident	89.6	Confident	61 Å²	61	62.2 Å²	62.2	43%	0.427	31%	0.305	S	S	.	.			trans	-84.9	164.7	176	64.9	0	0	0	0	112.1	E66 V67 L68	S64-E66 PolarHBondContact O-N 3.04Å; S64-E66 VanDerWaalsContact O-N 3.15Å; S64-V67 PolarHBondContact O-N 3Å; S64-L68 PolarHBondContact O-N 3.48Å
65	D	85.4	Confident	89.4	Confident	91 Å²	91	60.5 Å²	60.5	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-23.4	174.4	-72.4	-8.6	0	0	0	113.4	R69	D65-R69 WeakPolarHBondContact O-CG 3.5Å; D65-R69 PolarHBondContact O-N 3.25Å
66	E	86.8	Confident	89.3	Confident	152 Å²	152	61.8 Å²	61.8	71%	0.71	31%	0.305	S	S	*	.	H	α-helix	trans	-70.5	-44.4	173.8	-64.5	-179.5	164.5	0	0	111.3	S64 L68 R69 D70	S64-E66 PolarHBondContact O-N 3.04Å; S64-E66 VanDerWaalsContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.37Å; E66-R69 PolarHBondContact O-N 2.88Å; E66-D70 PolarHBondContact O-N 3.08Å; E66-D70 VanDerWaalsContact O-N 3.16Å
67	V	88.9	Confident	89.1	Confident	54 Å²	54	61.6 Å²	61.6	33%	0.327	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-37.6	174.2	178.2	0	0	0	0	110.7	Q63 S64 R69 D70 E71	Q63-V67 HydrophobicContact CB-CB 4.26Å; Q63-V67 HydrophobicContact CB-CG1 4.12Å; Q63-V67 HydrophobicContact CG-CG1 4.14Å; S64-V67 PolarHBondContact O-N 3Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.44Å; V67-D70 PolarHBondContact O-N 3.37Å; V67-E71 HydrophobicContact CG1-CG 4.49Å; V67-E71 PolarHBondContact O-N 3.15Å
68	L	89.4	Confident	89.2	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-45.8	174.3	177	56.9	0	0	0	112.1	L10 Y58 S64 E66 E71 I72 W97 L100	L10-L68 HydrophobicContact CD1-CD1 4.17Å; L10-L68 HydrophobicContact CD2-CD1 3.44Å; L10-L68 VanDerWaalsContact CD2-CD1 3.44Å; L10-L68 HydrophobicContact CG-CD1 4.47Å; Y58-L68 HydrophobicContact CD1-CD1 3.9Å; Y58-L68 HydrophobicContact CD2-CB 4.29Å; Y58-L68 HydrophobicContact CD2-CD1 3.86Å; Y58-L68 HydrophobicContact CE1-CD1 3.96Å; Y58-L68 HydrophobicContact CE1-CD2 3.98Å; Y58-L68 HydrophobicContact CE1-CG 4.38Å; Y58-L68 HydrophobicContact CE2-CB 3.61Å; Y58-L68 HydrophobicContact CE2-CD1 3.93Å; Y58-L68 HydrophobicContact CE2-CG 4.2Å; Y58-L68 HydrophobicContact CG-CD1 3.85Å; S64-L68 PolarHBondContact O-N 3.48Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.37Å; L68-E71 PolarHBondContact O-N 3.1Å; L68-I72 HydrophobicContact CD1-CD1 3.81Å; L68-I72 HydrophobicContact CD1-CG1 4.26Å; L68-I72 HydrophobicContact CG-CD1 3.95Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.14Å; L68-W97 HydrophobicContact CD2-CZ3 4.28Å; L68-L100 HydrophobicContact CD2-CD1 3.9Å; L68-L100 HydrophobicContact CD2-CD2 3.77Å; L68-L100 HydrophobicContact CG-CD2 3.98Å
69	R	87.7	Confident	89.4	Confident	160 Å²	160	61.5 Å²	61.5	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-42.7	179	-70.3	171.3	-168.5	158.5	6	111.7	D65 E66 V67 I72 V73	D65-R69 WeakPolarHBondContact O-CG 3.5Å; D65-R69 PolarHBondContact O-N 3.25Å; E66-R69 PolarHBondContact O-N 2.88Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.44Å; R69-I72 PolarHBondContact O-N 3.32Å; R69-V73 WeakPolarHBondContact O-CG2 3.21Å; R69-V73 PolarHBondContact O-N 3.24Å
70	D	88.8	Confident	89.6	Confident	75 Å²	75	61 Å²	61	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-43.7	177.5	-178.4	44.9	0	0	0	112.1	E66 V67 I72 V73 K74	E66-D70 PolarHBondContact O-N 3.08Å; E66-D70 VanDerWaalsContact O-N 3.16Å; V67-D70 PolarHBondContact O-N 3.37Å; D70-I72 PolarHBondContact O-N 3.22Å; D70-V73 PolarHBondContact O-N 3.15Å; D70-K74 VanDerWaalsContact CG-NZ 3.33Å; D70-K74 WeakPolarHBondContact O-CG 3.4Å; D70-K74 PolarHBondContact O-N 3.36Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.2Å; D70-K74 IonicContact OD1-NZ 2.7Å; D70-K74 PolarHBondContact OD1-NZ 3.47Å; D70-K74 WeakPolarHBondContact OD2-CE 3.04Å; D70-K74 IonicContact OD2-NZ 3.61Å; D70-K74 PolarHBondContact OD2-NZ 3.2Å
71	E	91.3	Very high	90.2	Very high	22 Å²	22	57.1 Å²	57.1	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-36.1	173.9	-73.6	-57.5	146.5	0	0	113.1	R6 L8 V67 L68 K74 A75	R6-E71 IonicContact CZ-OE2 3.94Å; R6-E71 IonicContact NE-OE2 3.93Å; R6-E71 PolarHBondContact NE-OE2 3.49Å; R6-E71 IonicContact NH2-OE1 3.14Å; R6-E71 PolarHBondContact NH2-OE1 3.45Å; R6-E71 IonicContact NH2-OE2 2.71Å; R6-E71 PolarHBondContact NH2-OE2 3.42Å; L8-E71 HydrophobicContact CD1-CB 4.12Å; L8-E71 HydrophobicContact CD2-CB 4.02Å; V67-E71 HydrophobicContact CG1-CG 4.49Å; V67-E71 PolarHBondContact O-N 3.15Å; L68-E71 PolarHBondContact O-N 3.1Å; E71-K74 PolarHBondContact O-N 3.07Å; E71-A75 WeakPolarHBondContact O-CB 3.32Å; E71-A75 PolarHBondContact O-N 3.47Å
72	I	90.3	Very high	90.8	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-40.7	175.1	-73.4	167.3	0	0	0	111.4	L8 L10 L68 R69 D70 K74 A75 L100 V101	L8-I72 HydrophobicContact CD2-CB 4.46Å; L8-I72 HydrophobicContact CD2-CG1 3.67Å; L10-I72 HydrophobicContact CD1-CD1 3.82Å; L10-I72 HydrophobicContact CD1-CG1 3.98Å; L68-I72 HydrophobicContact CD1-CD1 3.81Å; L68-I72 HydrophobicContact CD1-CG1 4.26Å; L68-I72 HydrophobicContact CG-CD1 3.95Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.14Å; R69-I72 PolarHBondContact O-N 3.32Å; D70-I72 PolarHBondContact O-N 3.22Å; I72-K74 VanDerWaalsContact C-N 3.3Å; I72-K74 PolarHBondContact O-N 3.28Å; I72-A75 PolarHBondContact O-N 3.46Å; I72-L100 HydrophobicContact CD1-CD2 3.23Å; I72-V101 HydrophobicContact CD1-CG2 4.27Å
73	V	88.7	Confident	91.2	Very high	124 Å²	124	44.5 Å²	44.5	75%	0.752	23%	0.226	S	C	*	.	H	α-helix	trans	-65.5	-34.5	176.4	170.6	0	0	0	0	111.6	R69 D70	R69-V73 WeakPolarHBondContact O-CG2 3.21Å; R69-V73 PolarHBondContact O-N 3.24Å; D70-V73 PolarHBondContact O-N 3.15Å
74	K	89.8	Confident	91.4	Very high	95 Å²	95	43 Å²	43	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-77.4	-26	175.4	-68.6	164.6	177	169.7	0	113.4	D70 E71 I72	D70-K74 VanDerWaalsContact CG-NZ 3.33Å; D70-K74 WeakPolarHBondContact O-CG 3.4Å; D70-K74 PolarHBondContact O-N 3.36Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.2Å; D70-K74 IonicContact OD1-NZ 2.7Å; D70-K74 PolarHBondContact OD1-NZ 3.47Å; D70-K74 WeakPolarHBondContact OD2-CE 3.04Å; D70-K74 IonicContact OD2-NZ 3.61Å; D70-K74 PolarHBondContact OD2-NZ 3.2Å; E71-K74 PolarHBondContact O-N 3.07Å; I72-K74 VanDerWaalsContact C-N 3.3Å; I72-K74 PolarHBondContact O-N 3.28Å
75	A	91.7	Very high	91.4	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	22%	0.22	C	C	.	.			trans	-63.1	140.1	-176.6	0	0	0	0	0	111.8	L8 E71 I72 V78	L8-A75 HydrophobicContact CB-CB 3.78Å; L8-A75 HydrophobicContact CD2-CB 4.17Å; E71-A75 WeakPolarHBondContact O-CB 3.32Å; E71-A75 PolarHBondContact O-N 3.47Å; I72-A75 PolarHBondContact O-N 3.46Å; A75-V78 HydrophobicContact CB-CG2 4.01Å
76	N	91.3	Very high	91.7	Very high	29 Å²	29	42.1 Å²	42.1	16%	0.155	21%	0.213	C	C	.	.	S	Bend	trans	-94.8	-23.8	170.4	-56.6	150.2	0	0	0	112.4	K2 V5 R6 P112 V166	K2-N76 VanDerWaalsContact NZ-CG 3.34Å; K2-N76 PolarHBondContact NZ-ND2 2.95Å; V5-N76 WeakPolarHBondContact CA-OD1 3.31Å; R6-N76 PolarHBondContact N-OD1 3.23Å; R6-N76 PolarHBondContact O-N 3Å; N76-P112 WeakPolarHBondContact O-CD 3.48Å; N76-P112 WeakPolarHBondContact O-CG 3.45Å; N76-V166 HydrophobicContact CB-CG1 3.84Å; N76-V166 HydrophobicContact CB-CG2 3.89Å; N76-V166 WeakPolarHBondContact O-CG2 3.4Å
77	V	92.8	Very high	91.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	142.5	174.4	54.6	0	0	0	0	108.6	V5 R6 I7 L8 P112 I114 A162 A165 V166	V5-V77 HydrophobicContact CG1-CG1 4.49Å; R6-V77 PolarHBondContact O-N 3.14Å; I7-V77 HydrophobicContact CB-CG1 4.15Å; I7-V77 HydrophobicContact CG1-CG1 3.74Å; I7-V77 HydrophobicContact CG2-CG1 4.18Å; L8-V77 PolarHBondContact N-O 3Å; L8-V77 VanDerWaalsContact N-O 3.08Å; V77-P112 WeakPolarHBondContact CA-O 3.32Å; V77-P112 HydrophobicContact CB-CG 4.13Å; V77-P112 HydrophobicContact CG2-CG 4.29Å; V77-P112 WeakPolarHBondContact CG2-O 3.45Å; V77-I114 HydrophobicContact CG2-CG1 4.33Å; V77-A162 HydrophobicContact CG1-CB 4.04Å; V77-A162 HydrophobicContact CG2-CB 4.21Å; V77-A165 HydrophobicContact CG2-CB 4.5Å; V77-V166 HydrophobicContact CB-CG2 3.56Å; V77-V166 HydrophobicContact CG1-CG2 3.66Å
78	V	95.4	Very high	92	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	178.4	-178.5	0	0	0	0	110.5	L8 L10 A75 V80 V101 V111 P112 I113 I114	L8-V78 WeakPolarHBondContact O-CA 3.49Å; L10-V78 HydrophobicContact CB-CG1 4.22Å; L10-V78 HydrophobicContact CD1-CG1 3.67Å; L10-V78 HydrophobicContact CG-CG1 3.78Å; A75-V78 HydrophobicContact CB-CG2 4.01Å; V78-V80 HydrophobicContact CG1-CG2 4.08Å; V78-V101 HydrophobicContact CB-CG1 4.29Å; V78-V101 HydrophobicContact CB-CG2 4.42Å; V78-V101 HydrophobicContact CG1-CG2 3.89Å; V78-V101 HydrophobicContact CG2-CG1 3.97Å; V78-V101 HydrophobicContact CG2-CG2 4.37Å; V78-V111 HydrophobicContact CG2-CG1 3.99Å; V78-P112 PolarHBondContact N-O 3.1Å; V78-I113 WeakPolarHBondContact O-CA 3.37Å; V78-I114 PolarHBondContact O-N 3.11Å
79	C	96.4	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.8	173.5	-72.3	0	0	0	0	109.2	L8 L9 L10 V81 I114 V116	L8-C79 PolarHBondContact O-N 3.38Å; L9-C79 WeakPolarHBondContact CA-O 3.47Å; L9-C79 HydrophobicContact CG-CB 4.07Å; L10-C79 PolarHBondContact N-O 2.9Å; C79-V81 PolarHBondContact O-N 2.85Å; C79-I114 CarbonylContact C-O 3.46Å; C79-I114 WeakPolarHBondContact CA-O 3.3Å; C79-V116 HydrophobicContact CB-CG2 3.95Å
80	V	96.1	Very high	92.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.5	177.1	-179.4	0	0	0	0	109.2	V78 I93 W97 I113 I114 L115 V116	V78-V80 HydrophobicContact CG1-CG2 4.08Å; V80-I93 HydrophobicContact CG1-CG1 4.22Å; V80-I93 HydrophobicContact CG1-CG2 4.31Å; V80-W97 HydrophobicContact CG1-CB 3.86Å; V80-W97 HydrophobicContact CG1-CG 4.28Å; V80-W97 HydrophobicContact CG2-CB 4.46Å; V80-I113 HydrophobicContact CG2-CG2 3.9Å; V80-I114 PolarHBondContact N-O 2.92Å; V80-L115 HydrophobicContact CB-CD2 4.07Å; V80-L115 HydrophobicContact CG1-CD2 4.46Å; V80-V116 PolarHBondContact O-N 3.06Å
81	V	96.5	Very high	92.4	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130	-176.2	-166.8	0	0	0	0	111.1	L9 L10 G11 V15 K17 L20 C79 V116 N118	L9-V81 HydrophobicContact CD2-CG2 4.22Å; L9-V81 HydrophobicContact CG-CG2 4.49Å; L10-V81 PolarHBondContact O-N 3.04Å; G11-V81 WeakPolarHBondContact CA-O 3.28Å; V15-V81 HydrophobicContact CB-CG1 4.25Å; V15-V81 HydrophobicContact CG2-CB 3.83Å; V15-V81 HydrophobicContact CG2-CG1 3.74Å; K17-V81 HydrophobicContact CD-CB 4.48Å; K17-V81 HydrophobicContact CD-CG2 4.4Å; K17-V81 HydrophobicContact CG-CB 4.01Å; K17-V81 HydrophobicContact CG-CG1 4.48Å; K17-V81 HydrophobicContact CG-CG2 4.01Å; L20-V81 HydrophobicContact CD1-CG1 3.91Å; L20-V81 HydrophobicContact CD1-CG2 4.28Å; C79-V81 PolarHBondContact O-N 2.85Å; V81-V116 WeakPolarHBondContact CA-O 3.42Å; V81-V116 HydrophobicContact CB-CB 4.31Å; V81-V116 HydrophobicContact CG1-CB 4.27Å; V81-V116 HydrophobicContact CG1-CG1 4.41Å; V81-V116 HydrophobicContact CG2-CB 4.04Å; V81-V116 HydrophobicContact CG2-CG2 4.24Å; V81-N118 HydrophobicContact CG1-CB 3.94Å
82	Y	95.4	Very high	92.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.8	174.3	68.9	-86.6	0	0	0	110.5	V84 I90 I93 L115 V116 G117 N118 S127 I131	Y82-V84 HydrophobicContact CE2-CG1 3.87Å; Y82-I90 HydrophobicContact CD2-CD1 4.14Å; Y82-I90 HydrophobicContact CD2-CG1 3.55Å; Y82-I90 HydrophobicContact CE2-CD1 4.19Å; Y82-I90 HydrophobicContact CE2-CG1 4.02Å; Y82-I90 HydrophobicContact CG-CG1 4.29Å; Y82-I93 HydrophobicContact CD1-CD1 3.54Å; Y82-I93 HydrophobicContact CE1-CD1 4.23Å; Y82-I93 HydrophobicContact CG-CD1 3.75Å; Y82-L115 HydrophobicContact CE1-CB 4.21Å; Y82-V116 VanDerWaalsContact CD1-O 3.28Å; Y82-V116 WeakPolarHBondContact CD1-O 3.3Å; Y82-V116 VanDerWaalsContact CE1-C 3.45Å; Y82-V116 PolarHBondContact N-O 3.4Å; Y82-G117 VanDerWaalsContact CE1-CA 3.41Å; Y82-G117 VanDerWaalsContact CE1-N 3.3Å; Y82-G117 WeakPolarHBondContact OH-CA 3.39Å; Y82-N118 PolarHBondContact O-N 3.08Å; Y82-S127 PolarHBondContact OH-OG 3.36Å; Y82-I131 HydrophobicContact CE1-CD1 3.99Å; Y82-I131 HydrophobicContact CE2-CD1 3.99Å; Y82-I131 HydrophobicContact CE2-CG1 4.38Å; Y82-I131 WeakPolarHBondContact OH-CG1 3.5Å
83	D	94.6	Very high	92.5	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119	176.6	-175.7	-26.2	0	0	0	108.9	V15 T85 N86 T89 K119	V15-D83 HydrophobicContact CG1-CB 4.39Å; D83-T85 PolarHBondContact O-N 2.78Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 PolarHBondContact OD1-N 3.47Å; D83-T85 PolarHBondContact OD1-OG1 2.81Å; D83-N86 HydrophobicContact CB-CB 4.11Å; D83-N86 PolarHBondContact O-N 2.82Å; D83-T89 HydrophobicContact CB-CG2 4.36Å; D83-T89 PolarHBondContact N-OG1 3.33Å; D83-T89 PolarHBondContact O-OG1 3.04Å; D83-K119 WeakPolarHBondContact OD2-CD 3.28Å; D83-K119 VanDerWaalsContact OD2-CE 3.31Å; D83-K119 WeakPolarHBondContact OD2-CE 3.31Å; D83-K119 IonicContact OD2-NZ 2.71Å; D83-K119 PolarHBondContact OD2-NZ 2.85Å
84	V	92.2	Very high	92.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.6	-177.3	-57.5	0	0	0	0	113.9	Y82 G117 N118 K119 R123	Y82-V84 HydrophobicContact CE2-CG1 3.87Å; V84-G117 VanDerWaalsContact CG1-C 3.49Å; V84-N118 WeakPolarHBondContact CG2-O 3.47Å; V84-N118 PolarHBondContact N-O 3.23Å; V84-N118 VanDerWaalsContact N-O 3.08Å; V84-K119 WeakPolarHBondContact CG2-O 3.34Å; V84-R123 HydrophobicContact CG2-CB 3.97Å; V84-R123 WeakPolarHBondContact O-CD 3.46Å; V84-R123 PolarHBondContact O-NH1 3.4Å
85	T	90.4	Very high	92.4	Very high	73 Å²	73	37.6 Å²	37.6	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.5	177	69.3	0	0	0	0	113.8	D83 L122	D83-T85 PolarHBondContact O-N 2.78Å; D83-T85 WeakPolarHBondContact OD1-CB 3.42Å; D83-T85 PolarHBondContact OD1-N 3.47Å; D83-T85 PolarHBondContact OD1-OG1 2.81Å; T85-L122 HydrophobicContact CG2-CB 3.57Å; T85-L122 HydrophobicContact CG2-CD1 4.28Å
86	N	91.6	Very high	92.4	Very high	60 Å²	60	40.5 Å²	40.5	32%	0.321	21%	0.205	S	C	.	.			trans	-122.1	106.3	-173.7	-174	-21.5	0	0	0	111.8	D83 D88 T89	D83-N86 HydrophobicContact CB-CB 4.11Å; D83-N86 PolarHBondContact O-N 2.82Å; N86-D88 VanDerWaalsContact C-N 3.32Å; N86-D88 PolarHBondContact O-N 2.91Å; N86-D88 VanDerWaalsContact OD1-CB 3.3Å; N86-D88 WeakPolarHBondContact OD1-CB 3.37Å; N86-D88 PolarHBondContact OD1-N 3.21Å; N86-T89 HydrophobicContact CB-CG2 4.02Å; N86-T89 PolarHBondContact O-N 2.9Å; N86-T89 VanDerWaalsContact O-N 3.14Å; N86-T89 PolarHBondContact O-OG1 2.68Å
87	E	89.4	Confident	92.4	Very high	131 Å²	131	39.2 Å²	39.2	61%	0.612	20%	0.199	S	C	*	.	H	α-helix	trans	-63.5	-31.7	-178.5	-60	-167.9	157.7	0	0	113.2	T89 I90 E91	E87-T89 PolarHBondContact O-N 2.74Å; E87-I90 CarbonylContact O-C 3.53Å; E87-I90 WeakPolarHBondContact O-CA 3.41Å; E87-I90 WeakPolarHBondContact O-CB 3.45Å; E87-I90 PolarHBondContact O-N 3.01Å; E87-E91 WeakPolarHBondContact O-CG 3.23Å; E87-E91 PolarHBondContact O-N 3.06Å
88	D	92.3	Very high	92.2	Very high	105 Å²	105	39.2 Å²	39.2	56%	0.561	20%	0.199	S	C	*	.	H	α-helix	trans	-59.4	-34.6	175.3	-58.2	-29.9	0	0	0	111.6	N86 I90 K92	N86-D88 VanDerWaalsContact C-N 3.32Å; N86-D88 PolarHBondContact O-N 2.91Å; N86-D88 VanDerWaalsContact OD1-CB 3.3Å; N86-D88 WeakPolarHBondContact OD1-CB 3.37Å; N86-D88 PolarHBondContact OD1-N 3.21Å; D88-I90 VanDerWaalsContact C-N 3.33Å; D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.32Å; D88-K92 PolarHBondContact O-N 3.08Å; D88-K92 VanDerWaalsContact O-N 3.12Å
89	T	93.6	Very high	91.9	Very high	13 Å²	13	42 Å²	42	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-72.4	-30.8	178	71.8	0	0	0	0	111.8	E12 V15 D83 N86 E87 I93	E12-T89 HydrophobicContact CB-CG2 4.28Å; E12-T89 HydrophobicContact CG-CG2 4.39Å; V15-T89 HydrophobicContact CG1-CG2 4.02Å; D83-T89 HydrophobicContact CB-CG2 4.36Å; D83-T89 PolarHBondContact N-OG1 3.33Å; D83-T89 PolarHBondContact O-OG1 3.04Å; N86-T89 HydrophobicContact CB-CG2 4.02Å; N86-T89 PolarHBondContact O-N 2.9Å; N86-T89 VanDerWaalsContact O-N 3.14Å; N86-T89 PolarHBondContact O-OG1 2.68Å; E87-T89 PolarHBondContact O-N 2.74Å; T89-I93 WeakPolarHBondContact O-CG1 3.5Å
90	I	90.9	Very high	91.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-73.2	-42	174.5	-58.4	173.5	0	0	0	110	Y82 E87 D88 K92 I93 T130 I131 I134	Y82-I90 HydrophobicContact CD2-CD1 4.14Å; Y82-I90 HydrophobicContact CD2-CG1 3.55Å; Y82-I90 HydrophobicContact CE2-CD1 4.19Å; Y82-I90 HydrophobicContact CE2-CG1 4.02Å; Y82-I90 HydrophobicContact CG-CG1 4.29Å; E87-I90 CarbonylContact O-C 3.53Å; E87-I90 WeakPolarHBondContact O-CA 3.41Å; E87-I90 WeakPolarHBondContact O-CB 3.45Å; E87-I90 PolarHBondContact O-N 3.01Å; D88-I90 VanDerWaalsContact C-N 3.33Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 2.61Å; I90-I93 HydrophobicContact CG2-CD1 4.37Å; I90-I93 VanDerWaalsContact O-CB 3.3Å; I90-I93 WeakPolarHBondContact O-CB 3.27Å; I90-I93 WeakPolarHBondContact O-CG1 3.33Å; I90-I93 PolarHBondContact O-N 3.49Å; I90-I93 VanDerWaalsContact O-N 3.14Å; I90-T130 HydrophobicContact CD1-CG2 4.36Å; I90-T130 HydrophobicContact CG2-CG2 4.08Å; I90-I131 HydrophobicContact CG2-CD1 3.79Å; I90-I134 HydrophobicContact CG2-CD1 3.89Å
91	E	90.2	Very high	91.1	Very high	101 Å²	101	45.2 Å²	45.2	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-37.9	175.5	-69.4	-108.8	112.2	0	0	112	E87 I93 K94 T95	E87-E91 WeakPolarHBondContact O-CG 3.23Å; E87-E91 PolarHBondContact O-N 3.06Å; E91-I93 VanDerWaalsContact C-N 3.29Å; E91-I93 PolarHBondContact O-N 2.98Å; E91-K94 WeakPolarHBondContact O-CG 3.49Å; E91-K94 PolarHBondContact O-N 3.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.36Å; E91-K94 IonicContact OE1-NZ 3.14Å; E91-K94 PolarHBondContact OE1-NZ 3.37Å; E91-T95 PolarHBondContact O-N 2.93Å; E91-T95 PolarHBondContact O-OG1 3.24Å
92	K	91.6	Very high	90.4	Very high	79 Å²	79	46.4 Å²	46.4	34%	0.343	24%	0.24	S	C	.	.	H	α-helix	trans	-72.3	-17.1	178.4	-72.6	174.7	-179.2	174.4	0	114.4	E12 D88 I90 T95 K96 W97	E12-K92 HydrophobicContact CG-CB 4.35Å; E12-K92 HydrophobicContact CG-CD 3.68Å; E12-K92 WeakPolarHBondContact OE2-CD 3.37Å; E12-K92 WeakPolarHBondContact OE2-CE 3.42Å; E12-K92 IonicContact OE2-NZ 3.8Å; E12-K92 PolarHBondContact OE2-NZ 2.92Å; D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.32Å; D88-K92 PolarHBondContact O-N 3.08Å; D88-K92 VanDerWaalsContact O-N 3.12Å; I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 PolarHBondContact O-N 2.61Å; K92-T95 WeakPolarHBondContact CA-OG1 3.28Å; K92-K96 PolarHBondContact O-N 3.17Å; K92-W97 VanDerWaalsContact O-CD1 3.3Å; K92-W97 PolarHBondContact O-N 3.11Å
93	I	91	Very high	89.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.264	C	S	.	.	I	π-helix	trans	-59.9	-52.3	171.6	-58	172.6	0	0	0	109.6	V80 Y82 T89 I90 E91 I98 L115 I131 I134	V80-I93 HydrophobicContact CG1-CG1 4.22Å; V80-I93 HydrophobicContact CG1-CG2 4.31Å; Y82-I93 HydrophobicContact CD1-CD1 3.54Å; Y82-I93 HydrophobicContact CE1-CD1 4.23Å; Y82-I93 HydrophobicContact CG-CD1 3.75Å; T89-I93 WeakPolarHBondContact O-CG1 3.5Å; I90-I93 HydrophobicContact CG2-CD1 4.37Å; I90-I93 VanDerWaalsContact O-CB 3.3Å; I90-I93 WeakPolarHBondContact O-CB 3.27Å; I90-I93 WeakPolarHBondContact O-CG1 3.33Å; I90-I93 PolarHBondContact O-N 3.49Å; I90-I93 VanDerWaalsContact O-N 3.14Å; E91-I93 VanDerWaalsContact C-N 3.29Å; E91-I93 PolarHBondContact O-N 2.98Å; I93-I98 HydrophobicContact CG2-CD1 3.55Å; I93-I98 HydrophobicContact CG2-CG1 3.93Å; I93-I98 WeakPolarHBondContact O-CG1 3.42Å; I93-I98 PolarHBondContact O-N 3.27Å; I93-L115 HydrophobicContact CD1-CD2 4.45Å; I93-L115 HydrophobicContact CG2-CD2 3.65Å; I93-I131 HydrophobicContact CD1-CD1 4.25Å; I93-I134 HydrophobicContact CG2-CG2 4.29Å
94	K	88.6	Confident	87.6	Confident	74 Å²	74	56.1 Å²	56.1	32%	0.322	30%	0.303	S	S	.	.	I	π-helix	trans	-75.6	-29.1	-177	59.3	173.3	-170.4	-165.1	0	113.5	E91 F138	E91-K94 WeakPolarHBondContact O-CG 3.49Å; E91-K94 PolarHBondContact O-N 3.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.36Å; E91-K94 IonicContact OE1-NZ 3.14Å; E91-K94 PolarHBondContact OE1-NZ 3.37Å; K94-F138 HydrophobicContact CB-CE2 4.06Å; K94-F138 HydrophobicContact CB-CZ 4.49Å
95	T	89.2	Confident	85.7	Confident	93 Å²	93	58.5 Å²	58.5	57%	0.571	32%	0.324	S	S	*	.	I	π-helix	trans	-99	-32.7	-174.8	56.9	0	0	0	0	115.3	E91 K92	E91-T95 PolarHBondContact O-N 2.93Å; E91-T95 PolarHBondContact O-OG1 3.24Å; K92-T95 WeakPolarHBondContact CA-OG1 3.28Å
96	K	90.3	Very high	83.6	Confident	65 Å²	65	62.9 Å²	62.9	28%	0.283	34%	0.339	S	S	.	.	I	π-helix	trans	-112.4	-61.2	-178.4	-179	-179.8	176	-177.5	0	111.4	E12 E60 K92 L100	E12-K96 IonicContact OE1-NZ 3.73Å; E60-K96 IonicContact OE1-NZ 2.67Å; E60-K96 PolarHBondContact OE1-NZ 3.26Å; K92-K96 PolarHBondContact O-N 3.17Å; K96-L100 WeakPolarHBondContact O-CB 3.37Å; K96-L100 PolarHBondContact O-N 3.42Å; K96-L100 VanDerWaalsContact O-N 3.14Å
97	W	91.4	Very high	81.5	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.011	36%	0.364	C	S	.	.	I	π-helix	trans	-73.8	-47.1	-161.1	-64.5	106.8	0	0	0	114.4	L10 G11 E12 Y58 L68 V80 K92 L100 V101	L10-W97 HydrophobicContact CB-CE3 3.9Å; L10-W97 HydrophobicContact CB-CZ3 4.1Å; L10-W97 HydrophobicContact CD1-CE3 4.19Å; L10-W97 HydrophobicContact CD1-CZ3 4.43Å; L10-W97 HydrophobicContact CD2-CZ3 4.49Å; G11-W97 VanDerWaalsContact C-CZ2 3.42Å; E12-W97 WeakPolarHBondContact OE1-CZ2 3.39Å; E12-W97 PolarHBondContact OE1-NE1 2.68Å; Y58-W97 HydrophobicContact CD1-CH2 4.43Å; Y58-W97 HydrophobicContact CE1-CH2 4.27Å; L68-W97 HydrophobicContact CD2-CZ3 4.28Å; V80-W97 HydrophobicContact CG1-CB 3.86Å; V80-W97 HydrophobicContact CG1-CG 4.28Å; V80-W97 HydrophobicContact CG2-CB 4.46Å; K92-W97 VanDerWaalsContact O-CD1 3.3Å; K92-W97 PolarHBondContact O-N 3.11Å; W97-L100 PolarHBondContact O-N 3.13Å; W97-V101 VanDerWaalsContact O-CG2 3.32Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 3.2Å; W97-V101 VanDerWaalsContact O-N 3.07Å
98	I	89.2	Confident	79.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-46.9	178.1	-64	171.2	0	0	0	112.1	I93 L100 V101 N102 I113 I134 F138 I141	I93-I98 HydrophobicContact CG2-CD1 3.55Å; I93-I98 HydrophobicContact CG2-CG1 3.93Å; I93-I98 WeakPolarHBondContact O-CG1 3.42Å; I93-I98 PolarHBondContact O-N 3.27Å; I98-L100 VanDerWaalsContact C-N 3.27Å; I98-L100 PolarHBondContact O-N 3.31Å; I98-V101 PolarHBondContact O-N 2.98Å; I98-N102 PolarHBondContact O-N 3.25Å; I98-I113 HydrophobicContact CG1-CD1 4.19Å; I98-I113 HydrophobicContact CG2-CD1 4.08Å; I98-I134 HydrophobicContact CD1-CG2 4.17Å; I98-F138 HydrophobicContact CD1-CB 4.32Å; I98-F138 HydrophobicContact CD1-CD2 3.64Å; I98-F138 HydrophobicContact CD1-CE2 4.04Å; I98-F138 HydrophobicContact CD1-CG 3.94Å; I98-F138 HydrophobicContact CG2-CB 4.39Å; I98-F138 HydrophobicContact CG2-CD1 3.55Å; I98-F138 HydrophobicContact CG2-CD2 4.46Å; I98-F138 HydrophobicContact CG2-CE1 3.82Å; I98-F138 HydrophobicContact CG2-CG 3.89Å; I98-F138 HydrophobicContact CG2-CZ 4.39Å; I98-I141 HydrophobicContact CD1-CD1 3.67Å; I98-I141 HydrophobicContact CD1-CG1 4.23Å
99	P	88.7	Confident	77.9	Confident	59 Å²	59	68.1 Å²	68.1	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-56.7	-39.6	174.9	-27.4	36.3	0	0	0	113.4	N102 G103	P99-N102 PolarHBondContact O-N 2.93Å; P99-G103 PolarHBondContact O-N 2.74Å
100	L	88	Confident	77	Confident	56 Å²	56	71.8 Å²	71.8	29%	0.293	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-37.9	179.6	-163.5	161.2	0	0	0	112.1	L68 I72 K96 W97 I98	L68-L100 HydrophobicContact CD2-CD1 3.9Å; L68-L100 HydrophobicContact CD2-CD2 3.77Å; L68-L100 HydrophobicContact CG-CD2 3.98Å; I72-L100 HydrophobicContact CD1-CD2 3.23Å; K96-L100 WeakPolarHBondContact O-CB 3.37Å; K96-L100 PolarHBondContact O-N 3.42Å; K96-L100 VanDerWaalsContact O-N 3.14Å; W97-L100 PolarHBondContact O-N 3.13Å; I98-L100 VanDerWaalsContact C-N 3.27Å; I98-L100 PolarHBondContact O-N 3.31Å
101	V	87.8	Confident	76.8	Confident	12 Å²	12	73.1 Å²	73.1	7%	0.073	40%	0.396	C	S	.	.	H	α-helix	trans	-69.2	-37.6	174.6	172.9	0	0	0	0	112.1	L10 I72 V78 W97 I98 I113	L10-V101 HydrophobicContact CD1-CG2 3.69Å; I72-V101 HydrophobicContact CD1-CG2 4.27Å; V78-V101 HydrophobicContact CB-CG1 4.29Å; V78-V101 HydrophobicContact CB-CG2 4.42Å; V78-V101 HydrophobicContact CG1-CG2 3.89Å; V78-V101 HydrophobicContact CG2-CG1 3.97Å; V78-V101 HydrophobicContact CG2-CG2 4.37Å; W97-V101 VanDerWaalsContact O-CG2 3.32Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 3.2Å; W97-V101 VanDerWaalsContact O-N 3.07Å; I98-V101 PolarHBondContact O-N 2.98Å; V101-I113 HydrophobicContact CB-CD1 4.22Å; V101-I113 HydrophobicContact CG1-CD1 3.86Å; V101-I113 HydrophobicContact CG1-CG1 4.1Å
102	N	81.9	Confident	76.6	Confident	28 Å²	28	69.5 Å²	69.5	15%	0.15	38%	0.381	C	S	.	.	H	α-helix	trans	-73.7	-30.3	177.2	-79.5	-9.1	0	0	0	112.9	I98 P99 A105 E140	I98-N102 PolarHBondContact O-N 3.25Å; P99-N102 PolarHBondContact O-N 2.93Å; N102-A105 WeakPolarHBondContact O-CB 3.02Å; N102-A105 PolarHBondContact O-N 2.58Å; N102-E140 PolarHBondContact ND2-OE1 3.34Å
103	G	74.1	Confident	76.6	Confident	48 Å²	48	65.7 Å²	65.7	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-156.7	-178.1	0	0	0	0	0	113.6	P99 A105	P99-G103 PolarHBondContact O-N 2.74Å; G103-A105 PolarHBondContact O-N 3.13Å
104	D	57.7	Low	76.5	Confident	168 Å²	168	65.7 Å²	65.7	90%	0.898	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	14.6	173.6	-58.4	-47.5	0	0	0	113	E106	D104-E106 VanDerWaalsContact C-N 3.34Å; D104-E106 PolarHBondContact O-N 2.98Å
105	A	51.2	Low	76.7	Confident	53 Å²	53	62.1 Å²	62.1	44%	0.438	35%	0.349	S	S	.	.			trans	-79.5	74.5	-172	0	0	0	0	0	112.3	N102 G103 K107	N102-A105 WeakPolarHBondContact O-CB 3.02Å; N102-A105 PolarHBondContact O-N 2.58Å; G103-A105 PolarHBondContact O-N 3.13Å; A105-K107 VanDerWaalsContact C-N 3.25Å; A105-K107 PolarHBondContact O-N 3.04Å; A105-K107 VanDerWaalsContact O-N 3.12Å
106	E	47.3	Very low	77	Confident	165 Å²	165	57.7 Å²	57.7	77%	0.771	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.4	-174.3	-69.3	-159.1	146.3	0	0	114.7	D104	D104-E106 VanDerWaalsContact C-N 3.34Å; D104-E106 PolarHBondContact O-N 2.98Å
107	K	47.3	Very low	77.2	Confident	196 Å²	196	54.6 Å²	54.6	85%	0.852	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	30.7	-169.2	-68.4	176.7	-179.1	135.6	0	114.6	A105	A105-K107 VanDerWaalsContact C-N 3.25Å; A105-K107 PolarHBondContact O-N 3.04Å; A105-K107 VanDerWaalsContact O-N 3.12Å
108	G	49.9	Very low	77.4	Confident	46 Å²	46	54.6 Å²	54.6	47%	0.474	31%	0.309	S	S	.	.	S	Bend	trans	-94.1	169.2	179.4	0	0	0	0	0	114.9	K110	G108-K110 PolarHBondContact O-N 2.94Å; G108-K110 VanDerWaalsContact O-N 3.09Å
109	N	57.3	Low	77.6	Confident	163 Å²	163	57.2 Å²	57.2	87%	0.872	32%	0.32	S	S	*	.			trans	-75.6	92.5	169.6	-161.3	27.9	0	0	0	108.7
110	K	74.4	Confident	77.8	Confident	90 Å²	90	55.1 Å²	55.1	39%	0.391	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-66.1	145.4	-168.3	-61.2	-177.2	178.5	173.8	0	112.4	G108 E140	G108-K110 PolarHBondContact O-N 2.94Å; G108-K110 VanDerWaalsContact O-N 3.09Å; K110-E140 HydrophobicContact CB-CG 3.86Å; K110-E140 HydrophobicContact CD-CG 3.42Å; K110-E140 VanDerWaalsContact CD-CG 3.42Å; K110-E140 WeakPolarHBondContact CD-OE1 3.42Å; K110-E140 WeakPolarHBondContact CE-OE1 3.32Å; K110-E140 HydrophobicContact CG-CG 4.29Å; K110-E140 IonicContact NZ-OE1 2.78Å; K110-E140 PolarHBondContact NZ-OE1 3Å
111	V	85.9	Confident	78	Confident	35 Å²	35	54.9 Å²	54.9	21%	0.212	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.7	127.6	178.2	-174.4	0	0	0	0	109.1	V78	V78-V111 HydrophobicContact CG2-CG1 3.99Å
112	P	86.9	Confident	78.1	Confident	25 Å²	25	59.6 Å²	59.6	16%	0.162	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.5	139.5	179.4	24.6	-33.8	0	0	0	111.4	N76 V77 V78 E142 A165 V166	N76-P112 WeakPolarHBondContact O-CD 3.48Å; N76-P112 WeakPolarHBondContact O-CG 3.45Å; V77-P112 WeakPolarHBondContact CA-O 3.32Å; V77-P112 HydrophobicContact CB-CG 4.13Å; V77-P112 HydrophobicContact CG2-CG 4.29Å; V77-P112 WeakPolarHBondContact CG2-O 3.45Å; V78-P112 PolarHBondContact N-O 3.1Å; P112-E142 HydrophobicContact CB-CG 4.14Å; P112-A165 HydrophobicContact CB-CB 4.15Å; P112-A165 HydrophobicContact CG-CB 4.39Å; P112-V166 HydrophobicContact CG-CG2 4.48Å
113	I	91.1	Very high	78	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.2	-178.6	-59.2	179.5	0	0	0	110.1	V78 V80 I98 V101 L115 E140 I141 E142	V78-I113 WeakPolarHBondContact O-CA 3.37Å; V80-I113 HydrophobicContact CG2-CG2 3.9Å; I98-I113 HydrophobicContact CG1-CD1 4.19Å; I98-I113 HydrophobicContact CG2-CD1 4.08Å; V101-I113 HydrophobicContact CB-CD1 4.22Å; V101-I113 HydrophobicContact CG1-CD1 3.86Å; V101-I113 HydrophobicContact CG1-CG1 4.1Å; I113-L115 HydrophobicContact CG2-CD2 4.29Å; I113-E140 HydrophobicContact CD1-CB 4.3Å; I113-E140 HydrophobicContact CG1-CB 4.41Å; I113-E140 PolarHBondContact N-O 3.11Å; I113-I141 HydrophobicContact CB-CG1 4.44Å; I113-I141 HydrophobicContact CG2-CG1 4.42Å; I113-I141 CarbonylContact O-C 3.54Å; I113-I141 WeakPolarHBondContact O-CA 3.28Å; I113-E142 PolarHBondContact O-N 2.97Å
114	I	89.5	Confident	77.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.5	167.4	-62.1	-167.2	0	0	0	109.3	V77 V78 C79 V80 V116 T143 V145 L158 Y161 A162	V77-I114 HydrophobicContact CG2-CG1 4.33Å; V78-I114 PolarHBondContact O-N 3.11Å; C79-I114 CarbonylContact C-O 3.46Å; C79-I114 WeakPolarHBondContact CA-O 3.3Å; V80-I114 PolarHBondContact N-O 2.92Å; I114-V116 HydrophobicContact CG2-CG2 4.34Å; I114-T143 HydrophobicContact CD1-CG2 3.91Å; I114-T143 HydrophobicContact CG1-CG2 4.1Å; I114-T143 HydrophobicContact CG2-CG2 4.02Å; I114-V145 HydrophobicContact CG2-CG2 4.19Å; I114-L158 HydrophobicContact CG2-CD1 3.88Å; I114-Y161 VanDerWaalsContact CD1-C 3.42Å; I114-A162 VanDerWaalsContact CD1-CA 3.4Å; I114-A162 HydrophobicContact CD1-CB 3.97Å; I114-A162 VanDerWaalsContact CD1-N 3.31Å
115	L	92.5	Very high	78.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133	172	-62.5	-172.4	0	0	0	110.3	V80 Y82 I93 I113 I131 M135 I141 T143 C144 V145	V80-L115 HydrophobicContact CB-CD2 4.07Å; V80-L115 HydrophobicContact CG1-CD2 4.46Å; Y82-L115 HydrophobicContact CE1-CB 4.21Å; I93-L115 HydrophobicContact CD1-CD2 4.45Å; I93-L115 HydrophobicContact CG2-CD2 3.65Å; I113-L115 HydrophobicContact CG2-CD2 4.29Å; L115-I131 HydrophobicContact CD1-CG2 3.58Å; L115-M135 HydrophobicContact CD1-CG 4.38Å; L115-I141 HydrophobicContact CD1-CD1 3.96Å; L115-I141 HydrophobicContact CD1-CG2 4.22Å; L115-I141 HydrophobicContact CD2-CD1 4.38Å; L115-I141 HydrophobicContact CG-CD1 4.21Å; L115-I141 HydrophobicContact CG-CG2 3.87Å; L115-T143 PolarHBondContact N-O 2.97Å; L115-C144 HydrophobicContact CB-CB 4.07Å; L115-C144 CarbonylContact O-C 3.54Å; L115-C144 VanDerWaalsContact O-CA 3.31Å; L115-C144 WeakPolarHBondContact O-CA 3.46Å; L115-V145 PolarHBondContact O-N 2.97Å
116	V	95.7	Very high	79.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	101	-175.8	-165.9	0	0	0	0	110.4	L20 C79 V80 V81 Y82 I114 N118 V145 C147 L158	L20-V116 HydrophobicContact CD1-CG1 3.91Å; C79-V116 HydrophobicContact CB-CG2 3.95Å; V80-V116 PolarHBondContact O-N 3.06Å; V81-V116 WeakPolarHBondContact CA-O 3.42Å; V81-V116 HydrophobicContact CB-CB 4.31Å; V81-V116 HydrophobicContact CG1-CB 4.27Å; V81-V116 HydrophobicContact CG1-CG1 4.41Å; V81-V116 HydrophobicContact CG2-CB 4.04Å; V81-V116 HydrophobicContact CG2-CG2 4.24Å; Y82-V116 VanDerWaalsContact CD1-O 3.28Å; Y82-V116 WeakPolarHBondContact CD1-O 3.3Å; Y82-V116 VanDerWaalsContact CE1-C 3.45Å; Y82-V116 PolarHBondContact N-O 3.4Å; I114-V116 HydrophobicContact CG2-CG2 4.34Å; V116-N118 PolarHBondContact O-N 2.9Å; V116-V145 WeakPolarHBondContact CA-O 3Å; V116-C147 HydrophobicContact CG1-CB 4.37Å; V116-L158 HydrophobicContact CB-CD1 4.35Å; V116-L158 HydrophobicContact CB-CD2 4.5Å; V116-L158 HydrophobicContact CG1-CD1 4.1Å; V116-L158 HydrophobicContact CG1-CD2 3.61Å; V116-L158 HydrophobicContact CG1-CG 4.44Å; V116-L158 HydrophobicContact CG2-CD1 3.4Å; V116-L158 HydrophobicContact CG2-CD2 4.07Å; V116-L158 HydrophobicContact CG2-CG 4.38Å
117	G	94.6	Very high	80.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	91.6	176	0	0	0	0	0	110.7	Y82 V84 V145 E146 C147	Y82-G117 VanDerWaalsContact CE1-CA 3.41Å; Y82-G117 VanDerWaalsContact CE1-N 3.3Å; Y82-G117 WeakPolarHBondContact OH-CA 3.39Å; V84-G117 VanDerWaalsContact CG1-C 3.49Å; G117-V145 PolarHBondContact N-O 2.92Å; G117-E146 CarbonylContact O-C 3.58Å; G117-E146 WeakPolarHBondContact O-CA 3.41Å; G117-C147 PolarHBondContact O-N 3.45Å
118	N	94.6	Very high	82	Confident	3 Å²	3	46 Å²	46	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	165.8	-180	-164.2	19.9	0	0	0	112.2	V15 G16 L20 V81 Y82 V84 V116 A149	V15-N118 PolarHBondContact O-ND2 2.91Å; G16-N118 PolarHBondContact O-ND2 3.41Å; L20-N118 HydrophobicContact CD1-CB 4.33Å; V81-N118 HydrophobicContact CG1-CB 3.94Å; Y82-N118 PolarHBondContact O-N 3.08Å; V84-N118 WeakPolarHBondContact CG2-O 3.47Å; V84-N118 PolarHBondContact N-O 3.23Å; V84-N118 VanDerWaalsContact N-O 3.08Å; V116-N118 PolarHBondContact O-N 2.9Å; N118-A149 PolarHBondContact OD1-N 3.41Å
119	K	94.1	Very high	83.2	Confident	55 Å²	55	51.9 Å²	51.9	24%	0.239	29%	0.289	C	S	.	.			trans	64.4	32.5	-176.2	-46.7	-175.2	-163.1	164.3	0	114.2	K14 D83 V84 D121 L122 C147	K14-K119 WeakPolarHBondContact O-CE 3.45Å; K14-K119 PolarHBondContact O-NZ 3.32Å; D83-K119 WeakPolarHBondContact OD2-CD 3.28Å; D83-K119 VanDerWaalsContact OD2-CE 3.31Å; D83-K119 WeakPolarHBondContact OD2-CE 3.31Å; D83-K119 IonicContact OD2-NZ 2.71Å; D83-K119 PolarHBondContact OD2-NZ 2.85Å; V84-K119 WeakPolarHBondContact CG2-O 3.34Å; K119-D121 VanDerWaalsContact C-OD1 3.31Å; K119-D121 WeakPolarHBondContact CA-OD1 3.41Å; K119-D121 PolarHBondContact O-N 3.29Å; K119-L122 HydrophobicContact CB-CD1 4.01Å; K119-L122 HydrophobicContact CB-CG 4.26Å; K119-L122 HydrophobicContact CD-CD1 4.09Å; K119-L122 WeakPolarHBondContact O-CB 3.36Å; K119-L122 PolarHBondContact O-N 3Å; K119-C147 PolarHBondContact N-O 2.97Å
120	S	92.4	Very high	84.4	Confident	14 Å²	14	46.8 Å²	46.8	10%	0.098	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-6.8	176.2	67.9	0	0	0	0	115	L122 C147 K153	S120-L122 VanDerWaalsContact C-N 3.31Å; S120-C147 VanDerWaalsContact CB-O 3.27Å; S120-C147 WeakPolarHBondContact CB-O 3.42Å; S120-C147 PolarHBondContact N-O 2.88Å; S120-C147 VanDerWaalsContact OG-C 3.26Å; S120-C147 PolarHBondContact OG-O 2.81Å; S120-K153 PolarHBondContact OG-NZ 3.04Å
121	D	91.9	Very high	84.8	Confident	52 Å²	52	42.5 Å²	42.5	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23	166.7	54.4	-68.4	0	0	0	113.7	K119 S148	K119-D121 VanDerWaalsContact C-OD1 3.31Å; K119-D121 WeakPolarHBondContact CA-OD1 3.41Å; K119-D121 PolarHBondContact O-N 3.29Å; D121-S148 VanDerWaalsContact CG-OG 3.22Å; D121-S148 WeakPolarHBondContact OD1-CB 3.41Å; D121-S148 PolarHBondContact OD1-OG 2.83Å
122	L	89.4	Confident	84.1	Confident	110 Å²	110	43.5 Å²	43.5	58%	0.576	25%	0.249	S	C	*	.	S	Bend	trans	-90.8	-3.5	-178.3	-57.7	-177.3	0	0	0	114.1	T85 K119 S120	T85-L122 HydrophobicContact CG2-CB 3.57Å; T85-L122 HydrophobicContact CG2-CD1 4.28Å; K119-L122 HydrophobicContact CB-CD1 4.01Å; K119-L122 HydrophobicContact CB-CG 4.26Å; K119-L122 HydrophobicContact CD-CD1 4.09Å; K119-L122 WeakPolarHBondContact O-CB 3.36Å; K119-L122 PolarHBondContact O-N 3Å; S120-L122 VanDerWaalsContact C-N 3.31Å
123	R	81.1	Confident	83.9	Confident	86 Å²	86	46 Å²	46	33%	0.325	27%	0.265	S	S	.	.			trans	-129	124.3	-174.6	-175.4	170.9	177.2	166.7	-0.8	112.7	V84 G125	V84-R123 HydrophobicContact CG2-CB 3.97Å; V84-R123 WeakPolarHBondContact O-CD 3.46Å; V84-R123 PolarHBondContact O-NH1 3.4Å; R123-G125 VanDerWaalsContact C-N 3.35Å; R123-G125 PolarHBondContact O-N 3.44Å; R123-G125 VanDerWaalsContact O-N 3.08Å
124	S	69.9	Low	83.6	Confident	137 Å²	137	46.6 Å²	46.6	96%	0.958	27%	0.268	S	S	*	.	S	Bend	trans	-83	71.5	173.8	45.5	0	0	0	0	111.9
125	G	71.6	Confident	83	Confident	55 Å²	55	48.5 Å²	48.5	57%	0.567	28%	0.278	S	S	*	.	S	Bend	trans	164.6	-167.5	179.8	0	0	0	0	0	112.1	R123	R123-G125 VanDerWaalsContact C-N 3.35Å; R123-G125 PolarHBondContact O-N 3.44Å; R123-G125 VanDerWaalsContact O-N 3.08Å
126	S	72.1	Confident	82.1	Confident	53 Å²	53	53.7 Å²	53.7	37%	0.371	31%	0.305	S	S	.	.			trans	-116.9	136.7	170.7	-171.2	0	0	0	0	109.6	M128 E146	S126-M128 PolarHBondContact O-N 3.01Å; S126-M128 WeakPolarHBondContact OG-CG 3.43Å; S126-M128 PolarHBondContact OG-N 2.93Å; S126-E146 WeakPolarHBondContact CA-OE1 3.47Å; S126-E146 PolarHBondContact OG-OE1 3.33Å; S126-E146 PolarHBondContact OG-OE2 3.12Å
127	S	75.9	Confident	81.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.4	172.1	64.2	0	0	0	0	113.4	Y82 E129 T130 I131 E146	Y82-S127 PolarHBondContact OH-OG 3.36Å; S127-E129 PolarHBondContact O-N 3.34Å; S127-E129 VanDerWaalsContact O-N 3.08Å; S127-T130 PolarHBondContact O-N 2.6Å; S127-I131 WeakPolarHBondContact O-CG1 3.5Å; S127-I131 PolarHBondContact O-N 2.85Å; S127-E146 WeakPolarHBondContact CA-OE1 3.45Å; S127-E146 WeakPolarHBondContact CB-OE1 3.11Å; S127-E146 PolarHBondContact N-OE1 3.49Å; S127-E146 PolarHBondContact OG-OE1 2.92Å
128	M	71	Confident	80.8	Confident	43 Å²	43	61.3 Å²	61.3	21%	0.212	34%	0.34	C	S	.	.	H	α-helix	trans	-51.1	-33.8	-178	-78.9	-69.6	-61.2	0	0	114.6	S126 T130 I131 L132 C144	S126-M128 PolarHBondContact O-N 3.01Å; S126-M128 WeakPolarHBondContact OG-CG 3.43Å; S126-M128 PolarHBondContact OG-N 2.93Å; M128-T130 VanDerWaalsContact C-N 3.34Å; M128-T130 PolarHBondContact O-N 3.14Å; M128-I131 PolarHBondContact O-N 3Å; M128-L132 HydrophobicContact CE-CD1 4.39Å; M128-L132 HydrophobicContact CE-CD2 3.91Å; M128-L132 HydrophobicContact CE-CG 3.97Å; M128-L132 VanDerWaalsContact O-CB 3.29Å; M128-L132 WeakPolarHBondContact O-CB 3.47Å; M128-L132 WeakPolarHBondContact O-CD1 3.31Å; M128-L132 WeakPolarHBondContact O-CG 3.45Å; M128-L132 PolarHBondContact O-N 2.9Å; M128-C144 HydrophobicContact SD-CB 4.45Å
129	E	75.4	Confident	79.9	Confident	168 Å²	168	63.7 Å²	63.7	79%	0.785	36%	0.358	S	S	*	.	H	α-helix	trans	-64.3	-38.5	179	-66.5	-176.8	171	0	0	112.4	S127 P133	S127-E129 PolarHBondContact O-N 3.34Å; S127-E129 VanDerWaalsContact O-N 3.08Å; E129-P133 VanDerWaalsContact O-CD 3.3Å; E129-P133 WeakPolarHBondContact O-CD 3.38Å
130	T	81.6	Confident	79.2	Confident	56 Å²	56	62 Å²	62	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-31.4	175.8	-41.5	0	0	0	0	112.2	I90 S127 M128 P133	I90-T130 HydrophobicContact CD1-CG2 4.36Å; I90-T130 HydrophobicContact CG2-CG2 4.08Å; S127-T130 PolarHBondContact O-N 2.6Å; M128-T130 VanDerWaalsContact C-N 3.34Å; M128-T130 PolarHBondContact O-N 3.14Å; T130-P133 WeakPolarHBondContact O-CD 3.47Å
131	I	83.1	Confident	78.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-88.9	-30.5	-173.5	-62.3	-66.9	0	0	0	113.1	Y82 I90 I93 L115 S127 M128 P133 I134 M135 C144	Y82-I131 HydrophobicContact CE1-CD1 3.99Å; Y82-I131 HydrophobicContact CE2-CD1 3.99Å; Y82-I131 HydrophobicContact CE2-CG1 4.38Å; Y82-I131 WeakPolarHBondContact OH-CG1 3.5Å; I90-I131 HydrophobicContact CG2-CD1 3.79Å; I93-I131 HydrophobicContact CD1-CD1 4.25Å; L115-I131 HydrophobicContact CD1-CG2 3.58Å; S127-I131 WeakPolarHBondContact O-CG1 3.5Å; S127-I131 PolarHBondContact O-N 2.85Å; M128-I131 PolarHBondContact O-N 3Å; I131-P133 VanDerWaalsContact C-N 3.35Å; I131-I134 HydrophobicContact CD1-CD1 4.37Å; I131-I134 WeakPolarHBondContact O-CB 3.49Å; I131-I134 PolarHBondContact O-N 3.21Å; I131-M135 HydrophobicContact CG2-CG 3.87Å; I131-M135 HydrophobicContact CG2-SD 4.07Å; I131-M135 PolarHBondContact O-N 3.21Å; I131-C144 HydrophobicContact CG2-CB 4.21Å
132	L	72.9	Confident	78	Confident	56 Å²	56	60 Å²	60	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-53.3	-40.8	179.3	-84.3	165.5	0	0	0	113.9	M128 M135 N136	M128-L132 HydrophobicContact CE-CD1 4.39Å; M128-L132 HydrophobicContact CE-CD2 3.91Å; M128-L132 HydrophobicContact CE-CG 3.97Å; M128-L132 VanDerWaalsContact O-CB 3.29Å; M128-L132 WeakPolarHBondContact O-CB 3.47Å; M128-L132 WeakPolarHBondContact O-CD1 3.31Å; M128-L132 WeakPolarHBondContact O-CG 3.45Å; M128-L132 PolarHBondContact O-N 2.9Å; L132-M135 PolarHBondContact O-N 3.07Å; L132-N136 PolarHBondContact O-N 3.04Å; L132-N136 VanDerWaalsContact O-N 3.15Å; L132-N136 PolarHBondContact O-ND2 2.88Å
133	P	81.7	Confident	77.5	Confident	79 Å²	79	56.4 Å²	56.4	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-44.3	172.7	-25.6	35.4	0	0	0	112.9	E129 T130 I131 M135 N136 Q137	E129-P133 VanDerWaalsContact O-CD 3.3Å; E129-P133 WeakPolarHBondContact O-CD 3.38Å; T130-P133 WeakPolarHBondContact O-CD 3.47Å; I131-P133 VanDerWaalsContact C-N 3.35Å; P133-M135 PolarHBondContact O-N 2.97Å; P133-N136 PolarHBondContact O-N 3.43Å; P133-N136 VanDerWaalsContact O-N 3.1Å; P133-Q137 PolarHBondContact O-N 3.46Å
134	I	84.4	Confident	77.8	Confident	11 Å²	11	53 Å²	53	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-44.1	179.7	-53.6	179	0	0	0	110.2	I90 I93 I98 I131 N136 Q137 F138 I141	I90-I134 HydrophobicContact CG2-CD1 3.89Å; I93-I134 HydrophobicContact CG2-CG2 4.29Å; I98-I134 HydrophobicContact CD1-CG2 4.17Å; I131-I134 HydrophobicContact CD1-CD1 4.37Å; I131-I134 WeakPolarHBondContact O-CB 3.49Å; I131-I134 PolarHBondContact O-N 3.21Å; I134-N136 PolarHBondContact O-N 3.47Å; I134-Q137 PolarHBondContact O-N 3.43Å; I134-F138 HydrophobicContact CG2-CD2 3.86Å; I134-F138 HydrophobicContact CG2-CE2 4.16Å; I134-F138 PolarHBondContact O-N 2.95Å; I134-F138 VanDerWaalsContact O-N 3.13Å; I134-I141 HydrophobicContact CG2-CD1 4Å
135	M	77.1	Confident	78.6	Confident	41 Å²	41	46.8 Å²	46.8	20%	0.202	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-23.8	174.3	-65	-173.4	76.2	0	0	114.3	L115 I131 L132 P133 I141 C144	L115-M135 HydrophobicContact CD1-CG 4.38Å; I131-M135 HydrophobicContact CG2-CG 3.87Å; I131-M135 HydrophobicContact CG2-SD 4.07Å; I131-M135 PolarHBondContact O-N 3.21Å; L132-M135 PolarHBondContact O-N 3.07Å; P133-M135 PolarHBondContact O-N 2.97Å; M135-I141 HydrophobicContact CE-CG2 4.21Å; M135-I141 HydrophobicContact CG-CG2 4.13Å; M135-C144 HydrophobicContact CE-CB 4.27Å; M135-C144 HydrophobicContact SD-CB 3.8Å
136	N	73.9	Confident	79.5	Confident	109 Å²	109	45.9 Å²	45.9	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-89	-16.9	174.7	-76.4	-69.8	0	0	0	112.8	L132 P133 I134	L132-N136 PolarHBondContact O-N 3.04Å; L132-N136 VanDerWaalsContact O-N 3.15Å; L132-N136 PolarHBondContact O-ND2 2.88Å; P133-N136 PolarHBondContact O-N 3.43Å; P133-N136 VanDerWaalsContact O-N 3.1Å; I134-N136 PolarHBondContact O-N 3.47Å
137	Q	82.2	Confident	80.5	Confident	130 Å²	130	43.4 Å²	43.4	61%	0.607	23%	0.23	S	C	*	.	H	α-helix	trans	-85.5	-36.5	179.1	-178	177.9	0.7	0	0	112.2	P133 I134	P133-Q137 PolarHBondContact O-N 3.46Å; I134-Q137 PolarHBondContact O-N 3.43Å
138	F	81.2	Confident	81.4	Confident	29 Å²	29	43.4 Å²	43.4	13%	0.127	23%	0.23	C	C	.	.			trans	-116.9	112.3	-175.8	-61	-76.5	0	0	0	110.2	K94 I98 I134 E140 I141	K94-F138 HydrophobicContact CB-CE2 4.06Å; K94-F138 HydrophobicContact CB-CZ 4.49Å; I98-F138 HydrophobicContact CD1-CB 4.32Å; I98-F138 HydrophobicContact CD1-CD2 3.64Å; I98-F138 HydrophobicContact CD1-CE2 4.04Å; I98-F138 HydrophobicContact CD1-CG 3.94Å; I98-F138 HydrophobicContact CG2-CB 4.39Å; I98-F138 HydrophobicContact CG2-CD1 3.55Å; I98-F138 HydrophobicContact CG2-CD2 4.46Å; I98-F138 HydrophobicContact CG2-CE1 3.82Å; I98-F138 HydrophobicContact CG2-CG 3.89Å; I98-F138 HydrophobicContact CG2-CZ 4.39Å; I134-F138 HydrophobicContact CG2-CD2 3.86Å; I134-F138 HydrophobicContact CG2-CE2 4.16Å; I134-F138 PolarHBondContact O-N 2.95Å; I134-F138 VanDerWaalsContact O-N 3.13Å; F138-E140 VanDerWaalsContact C-N 3.27Å; F138-E140 VanDerWaalsContact C-OE2 3.29Å; F138-E140 WeakPolarHBondContact CA-OE2 3.33Å; F138-E140 WeakPolarHBondContact CB-OE2 3.38Å; F138-E140 PolarHBondContact O-N 3.38Å; F138-I141 HydrophobicContact CB-CD1 3.8Å; F138-I141 HydrophobicContact CB-CG1 3.89Å; F138-I141 HydrophobicContact CD2-CD1 4.41Å; F138-I141 PolarHBondContact O-N 3.43Å
139	S	74.8	Confident	82.4	Confident	54 Å²	54	41.5 Å²	41.5	38%	0.378	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.6	-174.9	53	0	0	0	0	113.6	I141	S139-I141 PolarHBondContact O-N 3.35Å
140	E	80.3	Confident	83.3	Confident	20 Å²	20	39.4 Å²	39.4	9%	0.093	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.5	177.4	-50.3	87.1	165.3	0	0	112.9	N102 K110 I113 F138 E142	N102-E140 PolarHBondContact ND2-OE1 3.34Å; K110-E140 HydrophobicContact CB-CG 3.86Å; K110-E140 HydrophobicContact CD-CG 3.42Å; K110-E140 VanDerWaalsContact CD-CG 3.42Å; K110-E140 WeakPolarHBondContact CD-OE1 3.42Å; K110-E140 WeakPolarHBondContact CE-OE1 3.32Å; K110-E140 HydrophobicContact CG-CG 4.29Å; K110-E140 IonicContact NZ-OE1 2.78Å; K110-E140 PolarHBondContact NZ-OE1 3Å; I113-E140 HydrophobicContact CD1-CB 4.3Å; I113-E140 HydrophobicContact CG1-CB 4.41Å; I113-E140 PolarHBondContact N-O 3.11Å; F138-E140 VanDerWaalsContact C-N 3.27Å; F138-E140 VanDerWaalsContact C-OE2 3.29Å; F138-E140 WeakPolarHBondContact CA-OE2 3.33Å; F138-E140 WeakPolarHBondContact CB-OE2 3.38Å; F138-E140 PolarHBondContact O-N 3.38Å; E140-E142 PolarHBondContact O-N 2.94Å
141	I	83.3	Confident	83.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.3	176.3	-53.3	178.8	0	0	0	108.3	I98 I113 L115 I134 M135 F138 S139 R288	I98-I141 HydrophobicContact CD1-CD1 3.67Å; I98-I141 HydrophobicContact CD1-CG1 4.23Å; I113-I141 HydrophobicContact CB-CG1 4.44Å; I113-I141 HydrophobicContact CG2-CG1 4.42Å; I113-I141 CarbonylContact O-C 3.54Å; I113-I141 WeakPolarHBondContact O-CA 3.28Å; L115-I141 HydrophobicContact CD1-CD1 3.96Å; L115-I141 HydrophobicContact CD1-CG2 4.22Å; L115-I141 HydrophobicContact CD2-CD1 4.38Å; L115-I141 HydrophobicContact CG-CD1 4.21Å; L115-I141 HydrophobicContact CG-CG2 3.87Å; I134-I141 HydrophobicContact CG2-CD1 4Å; M135-I141 HydrophobicContact CE-CG2 4.21Å; M135-I141 HydrophobicContact CG-CG2 4.13Å; F138-I141 HydrophobicContact CB-CD1 3.8Å; F138-I141 HydrophobicContact CB-CG1 3.89Å; F138-I141 HydrophobicContact CD2-CD1 4.41Å; F138-I141 PolarHBondContact O-N 3.43Å; S139-I141 PolarHBondContact O-N 3.35Å; I141-R288 PolarHBondContact O-NH1 3.14Å
142	E	74.4	Confident	84.2	Confident	22 Å²	22	45 Å²	45	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-49.3	178.6	-83.8	-71.7	-168.8	0	0	111.1	P112 I113 E140 A165 T170 R288	P112-E142 HydrophobicContact CB-CG 4.14Å; I113-E142 PolarHBondContact O-N 2.97Å; E140-E142 PolarHBondContact O-N 2.94Å; E142-A165 HydrophobicContact CB-CB 4.46Å; E142-A165 HydrophobicContact CG-CB 4.22Å; E142-T170 VanDerWaalsContact CD-OG1 3.3Å; E142-T170 WeakPolarHBondContact OE1-CB 3.43Å; E142-T170 WeakPolarHBondContact OE1-CG2 3.44Å; E142-T170 PolarHBondContact OE1-N 3.34Å; E142-T170 PolarHBondContact OE1-OG1 3.01Å; E142-T170 WeakPolarHBondContact OE2-CG2 3.43Å; E142-T170 PolarHBondContact OE2-OG1 3.31Å; E142-R288 PolarHBondContact O-NH1 2.69Å; E142-R288 IonicContact OE2-CZ 2.69Å; E142-R288 IonicContact OE2-NH1 2.75Å
143	T	80.7	Confident	85	Confident	35 Å²	35	46.6 Å²	46.6	22%	0.215	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	170.6	-176.9	-165.6	0	0	0	0	113	I114 L115 V145 Y161	I114-T143 HydrophobicContact CD1-CG2 3.91Å; I114-T143 HydrophobicContact CG1-CG2 4.1Å; I114-T143 HydrophobicContact CG2-CG2 4.02Å; L115-T143 PolarHBondContact N-O 2.97Å; T143-V145 HydrophobicContact CG2-CG2 4.28Å; T143-Y161 HydrophobicContact CG2-CG 4.38Å
144	C	86.5	Confident	85.3	Confident	16 Å²	16	45.2 Å²	45.2	11%	0.108	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	171.6	-178	0	0	0	0	109.6	L115 M128 I131 M135	L115-C144 HydrophobicContact CB-CB 4.07Å; L115-C144 CarbonylContact O-C 3.54Å; L115-C144 VanDerWaalsContact O-CA 3.31Å; L115-C144 WeakPolarHBondContact O-CA 3.46Å; M128-C144 HydrophobicContact SD-CB 4.45Å; I131-C144 HydrophobicContact CG2-CB 4.21Å; M135-C144 HydrophobicContact CE-CB 4.27Å; M135-C144 HydrophobicContact SD-CB 3.8Å
145	V	85.8	Confident	85.6	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	-179.9	-168.8	0	0	0	0	109.5	I114 L115 V116 G117 T143 N154 L158 Y161	I114-V145 HydrophobicContact CG2-CG2 4.19Å; L115-V145 PolarHBondContact O-N 2.97Å; V116-V145 WeakPolarHBondContact CA-O 3Å; G117-V145 PolarHBondContact N-O 2.92Å; T143-V145 HydrophobicContact CG2-CG2 4.28Å; V145-N154 HydrophobicContact CG1-CB 4.02Å; V145-L158 HydrophobicContact CB-CD1 4.5Å; V145-L158 HydrophobicContact CG1-CB 4.43Å; V145-L158 HydrophobicContact CG2-CD1 4.46Å; V145-Y161 HydrophobicContact CG2-CD2 3.84Å
146	E	90.9	Very high	86.1	Confident	36 Å²	36	47.1 Å²	47.1	17%	0.168	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.5	172.4	-65.3	-173.5	140.7	0	0	109.5	G117 S126 S127 N154	G117-E146 CarbonylContact O-C 3.58Å; G117-E146 WeakPolarHBondContact O-CA 3.41Å; S126-E146 WeakPolarHBondContact CA-OE1 3.47Å; S126-E146 PolarHBondContact OG-OE1 3.33Å; S126-E146 PolarHBondContact OG-OE2 3.12Å; S127-E146 WeakPolarHBondContact CA-OE1 3.45Å; S127-E146 WeakPolarHBondContact CB-OE1 3.11Å; S127-E146 PolarHBondContact N-OE1 3.49Å; S127-E146 PolarHBondContact OG-OE1 2.92Å; E146-N154 WeakPolarHBondContact O-CB 3.5Å; E146-N154 PolarHBondContact O-ND2 3.43Å
147	C	93.6	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.			trans	-113.4	163.4	-174.8	-58.5	0	0	0	0	111.5	L20 V116 G117 K119 S120 K153	L20-C147 HydrophobicContact CD2-CB 3.84Å; V116-C147 HydrophobicContact CG1-CB 4.37Å; G117-C147 PolarHBondContact O-N 3.45Å; K119-C147 PolarHBondContact N-O 2.97Å; S120-C147 VanDerWaalsContact CB-O 3.27Å; S120-C147 WeakPolarHBondContact CB-O 3.42Å; S120-C147 PolarHBondContact N-O 2.88Å; S120-C147 VanDerWaalsContact OG-C 3.26Å; S120-C147 PolarHBondContact OG-O 2.81Å; C147-K153 CarbonylContact C-O 3.54Å; C147-K153 VanDerWaalsContact CA-O 3.28Å; C147-K153 WeakPolarHBondContact CA-O 3.45Å
148	S	94.3	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-139	109.6	159.3	171.5	0	0	0	0	107.8	D121 K150 N151 L152 K153	D121-S148 VanDerWaalsContact CG-OG 3.22Å; D121-S148 WeakPolarHBondContact OD1-CB 3.41Å; D121-S148 PolarHBondContact OD1-OG 2.83Å; S148-K150 PolarHBondContact O-N 3.07Å; S148-K150 PolarHBondContact OG-N 2.84Å; S148-N151 PolarHBondContact O-N 3.21Å; S148-N151 PolarHBondContact OG-N 2.9Å; S148-N151 VanDerWaalsContact OG-N 3.13Å; S148-L152 PolarHBondContact O-N 3.08Å; S148-K153 PolarHBondContact N-O 3.09Å; S148-K153 PolarHBondContact O-N 3.12Å
149	A	93.1	Very high	87.1	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.8	171.8	0	0	0	0	0	111.3	L20 S23 F29 N118 N151 L152	L20-A149 HydrophobicContact CD2-CB 4.08Å; L20-A149 HydrophobicContact CG-CB 4.38Å; S23-A149 PolarHBondContact OG-O 3.38Å; F29-A149 HydrophobicContact CD2-CB 4.23Å; F29-A149 HydrophobicContact CE2-CB 4.16Å; N118-A149 PolarHBondContact OD1-N 3.41Å; A149-N151 PolarHBondContact O-N 3.01Å; A149-L152 PolarHBondContact O-N 3.5Å
150	K	92.6	Very high	87.4	Confident	125 Å²	125	41.3 Å²	41.3	54%	0.543	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41.5	-178.2	-174.1	-179.8	176.5	-177.1	0	113.7	F29 S148	F29-K150 VanDerWaalsContact CD2-CA 3.47Å; F29-K150 HydrophobicContact CD2-CB 4.16Å; F29-K150 HydrophobicContact CE2-CB 4.39Å; F29-K150 HydrophobicContact CG-CB 4.41Å; F29-K150 HydrophobicContact CG-CG 4.46Å; S148-K150 PolarHBondContact O-N 3.07Å; S148-K150 PolarHBondContact OG-N 2.84Å
151	N	92.9	Very high	87.3	Confident	99 Å²	99	43.3 Å²	43.3	53%	0.529	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	16.2	-177	-63.5	3.1	0	0	0	112.4	S148 A149 K153	S148-N151 PolarHBondContact O-N 3.21Å; S148-N151 PolarHBondContact OG-N 2.9Å; S148-N151 VanDerWaalsContact OG-N 3.13Å; A149-N151 PolarHBondContact O-N 3.01Å; N151-K153 PolarHBondContact O-N 2.68Å
152	L	90.8	Very high	87.5	Confident	75 Å²	75	43.3 Å²	43.3	39%	0.393	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	22.4	-177.6	-53.7	173.6	0	0	0	114.8	E27 S148 A149 I155	E27-L152 WeakPolarHBondContact O-CD1 3.39Å; S148-L152 PolarHBondContact O-N 3.08Å; A149-L152 PolarHBondContact O-N 3.5Å; L152-I155 HydrophobicContact CB-CD1 4.47Å; L152-I155 HydrophobicContact CD2-CD1 3.97Å
153	K	91.6	Very high	87.9	Confident	88 Å²	88	42.5 Å²	42.5	38%	0.383	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-84	124.7	-169.4	-177.6	-174.1	162.8	-151.3	0	110.4	S120 C147 S148 N151 I155	S120-K153 PolarHBondContact OG-NZ 3.04Å; C147-K153 CarbonylContact C-O 3.54Å; C147-K153 VanDerWaalsContact CA-O 3.28Å; C147-K153 WeakPolarHBondContact CA-O 3.45Å; S148-K153 PolarHBondContact N-O 3.09Å; S148-K153 PolarHBondContact O-N 3.12Å; N151-K153 PolarHBondContact O-N 2.68Å; K153-I155 PolarHBondContact O-N 2.96Å
154	N	86.9	Confident	87.6	Confident	51 Å²	51	41.9 Å²	41.9	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	19.8	175.7	-56.7	-6.2	0	0	0	114.8	V145 E146 E157 L158	V145-N154 HydrophobicContact CG1-CB 4.02Å; E146-N154 WeakPolarHBondContact O-CB 3.5Å; E146-N154 PolarHBondContact O-ND2 3.43Å; N154-E157 HydrophobicContact CB-CB 4.25Å; N154-L158 PolarHBondContact O-N 3.43Å
155	I	91.3	Very high	87.1	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-53.5	177.7	-54.7	-175.2	0	0	0	109.8	L20 L24 L152 K153 E157 L158 F159	L20-I155 HydrophobicContact CD2-CG1 4.34Å; L24-I155 HydrophobicContact CB-CG2 3.89Å; L24-I155 HydrophobicContact CD1-CG2 4.05Å; L152-I155 HydrophobicContact CB-CD1 4.47Å; L152-I155 HydrophobicContact CD2-CD1 3.97Å; K153-I155 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.27Å; I155-E157 PolarHBondContact O-N 3.43Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.2Å; I155-L158 VanDerWaalsContact O-N 3.13Å; I155-F159 HydrophobicContact CG2-CD2 4.19Å; I155-F159 HydrophobicContact CG2-CE2 3.82Å; I155-F159 VanDerWaalsContact O-CD2 3.23Å; I155-F159 WeakPolarHBondContact O-CD2 3.3Å; I155-F159 PolarHBondContact O-N 3.22Å
156	S	86.9	Confident	86.8	Confident	87 Å²	87	41.9 Å²	41.9	61%	0.608	21%	0.205	S	C	*	.	H	α-helix	trans	-62.6	-34.2	177.9	-35.1	0	0	0	0	112.4	L158 Y160	S156-L158 PolarHBondContact O-N 3Å; S156-Y160 VanDerWaalsContact O-CB 3.28Å; S156-Y160 WeakPolarHBondContact O-CB 3.35Å; S156-Y160 PolarHBondContact O-N 3.3Å
157	E	81.8	Confident	85.8	Confident	89 Å²	89	41.4 Å²	41.4	42%	0.416	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-42.2	174.1	-68.6	-164.9	163.9	0	0	112	N154 I155 Y160 Y161	N154-E157 HydrophobicContact CB-CB 4.25Å; I155-E157 VanDerWaalsContact C-N 3.27Å; I155-E157 PolarHBondContact O-N 3.43Å; E157-Y160 PolarHBondContact O-N 3.03Å; E157-Y161 HydrophobicContact CB-CD2 4.28Å; E157-Y161 HydrophobicContact CB-CE2 4.04Å; E157-Y161 WeakPolarHBondContact O-CD2 3.47Å; E157-Y161 PolarHBondContact O-N 3.08Å
158	L	89.1	Confident	84.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-54.2	178.2	167.7	62.5	0	0	0	111.7	L20 I114 V116 V145 N154 I155 S156 Y160 Y161 A162	L20-L158 HydrophobicContact CD1-CD2 4.34Å; I114-L158 HydrophobicContact CG2-CD1 3.88Å; V116-L158 HydrophobicContact CB-CD1 4.35Å; V116-L158 HydrophobicContact CB-CD2 4.5Å; V116-L158 HydrophobicContact CG1-CD1 4.1Å; V116-L158 HydrophobicContact CG1-CD2 3.61Å; V116-L158 HydrophobicContact CG1-CG 4.44Å; V116-L158 HydrophobicContact CG2-CD1 3.4Å; V116-L158 HydrophobicContact CG2-CD2 4.07Å; V116-L158 HydrophobicContact CG2-CG 4.38Å; V145-L158 HydrophobicContact CB-CD1 4.5Å; V145-L158 HydrophobicContact CG1-CB 4.43Å; V145-L158 HydrophobicContact CG2-CD1 4.46Å; N154-L158 PolarHBondContact O-N 3.43Å; I155-L158 WeakPolarHBondContact O-CB 3.48Å; I155-L158 PolarHBondContact O-N 3.2Å; I155-L158 VanDerWaalsContact O-N 3.13Å; S156-L158 PolarHBondContact O-N 3Å; L158-Y160 VanDerWaalsContact C-N 3.34Å; L158-Y160 PolarHBondContact O-N 2.98Å; L158-Y161 PolarHBondContact O-N 2.92Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.65Å
159	F	88.6	Confident	83	Confident	13 Å²	13	45.9 Å²	45.9	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-34.1	-177.6	-65.3	-77.4	0	0	0	112	I7 L9 L24 I55 I155 A162 Q163	I7-F159 HydrophobicContact CD1-CD1 3.96Å; L9-F159 HydrophobicContact CD1-CE1 4.15Å; L24-F159 HydrophobicContact CB-CE2 4.13Å; L24-F159 HydrophobicContact CD1-CD2 3.95Å; L24-F159 HydrophobicContact CD1-CE2 4.37Å; L24-F159 HydrophobicContact CD2-CD1 4.39Å; L24-F159 HydrophobicContact CD2-CD2 3.57Å; L24-F159 HydrophobicContact CD2-CE1 4.48Å; L24-F159 HydrophobicContact CD2-CE2 3.7Å; L24-F159 HydrophobicContact CD2-CG 3.95Å; L24-F159 HydrophobicContact CD2-CZ 4.16Å; L24-F159 HydrophobicContact CG-CD2 4.23Å; L24-F159 HydrophobicContact CG-CE2 4.28Å; I55-F159 HydrophobicContact CD1-CD1 3.66Å; I55-F159 HydrophobicContact CD1-CE1 3.61Å; I55-F159 HydrophobicContact CD1-CG 4.37Å; I55-F159 HydrophobicContact CD1-CZ 4.29Å; I55-F159 HydrophobicContact CG1-CD1 4.11Å; I55-F159 HydrophobicContact CG1-CE1 3.99Å; I55-F159 HydrophobicContact CG2-CE1 3.81Å; I55-F159 HydrophobicContact CG2-CZ 4.41Å; I155-F159 HydrophobicContact CG2-CD2 4.19Å; I155-F159 HydrophobicContact CG2-CE2 3.82Å; I155-F159 VanDerWaalsContact O-CD2 3.23Å; I155-F159 WeakPolarHBondContact O-CD2 3.3Å; I155-F159 PolarHBondContact O-N 3.22Å; F159-A162 PolarHBondContact O-N 2.68Å; F159-Q163 WeakPolarHBondContact O-CB 3.49Å; F159-Q163 PolarHBondContact O-N 3.36Å
160	Y	80.8	Confident	81.4	Confident	98 Å²	98	47.3 Å²	47.3	38%	0.384	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-49.3	170.8	173.3	-99.2	0	0	0	112.4	P48 S156 E157 L158 A162 Q163 K164	P48-Y160 HydrophobicContact CG-CD2 4.44Å; S156-Y160 VanDerWaalsContact O-CB 3.28Å; S156-Y160 WeakPolarHBondContact O-CB 3.35Å; S156-Y160 PolarHBondContact O-N 3.3Å; E157-Y160 PolarHBondContact O-N 3.03Å; L158-Y160 VanDerWaalsContact C-N 3.34Å; L158-Y160 PolarHBondContact O-N 2.98Å; Y160-A162 VanDerWaalsContact C-N 3.31Å; Y160-A162 PolarHBondContact O-N 3.01Å; Y160-Q163 PolarHBondContact O-N 2.81Å; Y160-K164 HydrophobicContact CD1-CG 4.5Å; Y160-K164 HydrophobicContact CD2-CG 4.46Å; Y160-K164 HydrophobicContact CE1-CG 4.08Å; Y160-K164 HydrophobicContact CE2-CG 4.04Å; Y160-K164 WeakPolarHBondContact O-CB 3.44Å; Y160-K164 WeakPolarHBondContact O-CG 3.43Å; Y160-K164 PolarHBondContact O-N 2.67Å; Y160-K164 WeakPolarHBondContact OH-CE 3.4Å
161	Y	78.6	Confident	79.8	Confident	62 Å²	62	43.6 Å²	43.6	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-35	177.3	-71.9	-58.5	0	0	0	112.1	I114 T143 V145 E157 L158 K164 A165	I114-Y161 VanDerWaalsContact CD1-C 3.42Å; T143-Y161 HydrophobicContact CG2-CG 4.38Å; V145-Y161 HydrophobicContact CG2-CD2 3.84Å; E157-Y161 HydrophobicContact CB-CD2 4.28Å; E157-Y161 HydrophobicContact CB-CE2 4.04Å; E157-Y161 WeakPolarHBondContact O-CD2 3.47Å; E157-Y161 PolarHBondContact O-N 3.08Å; L158-Y161 PolarHBondContact O-N 2.92Å; Y161-K164 PolarHBondContact O-N 3.13Å; Y161-A165 WeakPolarHBondContact O-CB 3.09Å; Y161-A165 PolarHBondContact O-N 2.85Å
162	A	86.5	Confident	78	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-48	175.2	0	0	0	0	0	111.8	I7 V77 I114 L158 F159 Y160 K164 A165	I7-A162 HydrophobicContact CD1-CB 3.83Å; I7-A162 HydrophobicContact CG1-CB 4.35Å; I7-A162 HydrophobicContact CG2-CB 4.25Å; V77-A162 HydrophobicContact CG1-CB 4.04Å; V77-A162 HydrophobicContact CG2-CB 4.21Å; I114-A162 VanDerWaalsContact CD1-CA 3.4Å; I114-A162 HydrophobicContact CD1-CB 3.97Å; I114-A162 VanDerWaalsContact CD1-N 3.31Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.65Å; F159-A162 PolarHBondContact O-N 2.68Å; Y160-A162 VanDerWaalsContact C-N 3.31Å; Y160-A162 PolarHBondContact O-N 3.01Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 3.06Å; A162-A165 PolarHBondContact O-N 3.45Å
163	Q	83.3	Confident	76.3	Confident	6 Å²	6	40 Å²	40	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-44	175.4	-161.6	-173.2	46.9	0	0	111.2	V5 E49 V51 T53 F159 Y160 A165 V166 L167	V5-Q163 HydrophobicContact CG2-CG 4.31Å; E49-Q163 VanDerWaalsContact CG-OE1 3.3Å; V51-Q163 PolarHBondContact O-NE2 3.29Å; T53-Q163 PolarHBondContact OG1-NE2 2.7Å; F159-Q163 WeakPolarHBondContact O-CB 3.49Å; F159-Q163 PolarHBondContact O-N 3.36Å; Y160-Q163 PolarHBondContact O-N 2.81Å; Q163-A165 PolarHBondContact O-N 2.95Å; Q163-V166 PolarHBondContact O-N 3.25Å; Q163-L167 HydrophobicContact CG-CD1 3.83Å; Q163-L167 HydrophobicContact CG-CG 4.44Å; Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.15Å
164	K	74.3	Confident	74.6	Confident	22 Å²	22	38.6 Å²	38.6	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-39.4	177.4	-76.4	-73	177.2	-169.5	0	113.2	E49 Y160 Y161 A162 V166 L167 H168	E49-K164 VanDerWaalsContact CD-CE 3.42Å; E49-K164 WeakPolarHBondContact OE1-CE 3.21Å; E49-K164 IonicContact OE1-NZ 3.03Å; E49-K164 PolarHBondContact OE1-NZ 3.05Å; E49-K164 IonicContact OE2-NZ 2.73Å; E49-K164 PolarHBondContact OE2-NZ 2.74Å; Y160-K164 HydrophobicContact CD1-CG 4.5Å; Y160-K164 HydrophobicContact CD2-CG 4.46Å; Y160-K164 HydrophobicContact CE1-CG 4.08Å; Y160-K164 HydrophobicContact CE2-CG 4.04Å; Y160-K164 WeakPolarHBondContact O-CB 3.44Å; Y160-K164 WeakPolarHBondContact O-CG 3.43Å; Y160-K164 PolarHBondContact O-N 2.67Å; Y160-K164 WeakPolarHBondContact OH-CE 3.4Å; Y161-K164 PolarHBondContact O-N 3.13Å; A162-K164 VanDerWaalsContact C-N 3.34Å; A162-K164 PolarHBondContact O-N 3.06Å; K164-V166 PolarHBondContact O-N 3.1Å; K164-L167 PolarHBondContact O-N 3.5Å; K164-H168 WeakPolarHBondContact CD-CD2 3.29Å; K164-H168 PolarHBondContact NZ-CD2 2.76Å; K164-H168 VanDerWaalsContact NZ-CD2 3.29Å; K164-H168 PolarHBondContact NZ-NE2 2.73Å; K164-H168 CarbonylContact O-C 3.51Å; K164-H168 WeakPolarHBondContact O-CA 3.28Å; K164-H168 VanDerWaalsContact O-CB 3.3Å; K164-H168 WeakPolarHBondContact O-CB 3.3Å; K164-H168 PolarHBondContact O-N 3.47Å
165	A	74.8	Confident	73.3	Confident	3 Å²	3	38.3 Å²	38.3	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-29.8	176.8	0	0	0	0	0	113.1	V77 P112 E142 Y161 A162 Q163	V77-A165 HydrophobicContact CG2-CB 4.5Å; P112-A165 HydrophobicContact CB-CB 4.15Å; P112-A165 HydrophobicContact CG-CB 4.39Å; E142-A165 HydrophobicContact CB-CB 4.46Å; E142-A165 HydrophobicContact CG-CB 4.22Å; Y161-A165 WeakPolarHBondContact O-CB 3.09Å; Y161-A165 PolarHBondContact O-N 2.85Å; A162-A165 PolarHBondContact O-N 3.45Å; Q163-A165 PolarHBondContact O-N 2.95Å
166	V	80.5	Confident	71.6	Confident	19 Å²	19	40.2 Å²	40.2	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-85	-45.8	178.4	-178	0	0	0	0	112.6	K2 V5 N76 V77 P112 Q163 K164	K2-V166 HydrophobicContact CD-CG1 3.81Å; V5-V166 HydrophobicContact CG1-CB 4.2Å; V5-V166 HydrophobicContact CG1-CG1 4.37Å; V5-V166 HydrophobicContact CG1-CG2 3.98Å; V5-V166 HydrophobicContact CG2-CB 4.41Å; V5-V166 HydrophobicContact CG2-CG1 4.15Å; N76-V166 HydrophobicContact CB-CG1 3.84Å; N76-V166 HydrophobicContact CB-CG2 3.89Å; N76-V166 WeakPolarHBondContact O-CG2 3.4Å; V77-V166 HydrophobicContact CB-CG2 3.56Å; V77-V166 HydrophobicContact CG1-CG2 3.66Å; P112-V166 HydrophobicContact CG-CG2 4.48Å; Q163-V166 PolarHBondContact O-N 3.25Å; K164-V166 PolarHBondContact O-N 3.1Å
167	L	69.2	Low	70.5	Confident	25 Å²	25	44 Å²	44	13%	0.131	23%	0.225	C	C	.	.	H	α-helix	trans	-78.7	-24.7	-175.9	-62.7	178.3	0	0	0	112.7	V5 E49 V51 Q163 K164	V5-L167 HydrophobicContact CG2-CD2 4.06Å; V5-L167 HydrophobicContact CG2-CG 4.29Å; E49-L167 HydrophobicContact CB-CD1 3.58Å; E49-L167 HydrophobicContact CG-CD1 3.8Å; V51-L167 HydrophobicContact CB-CD1 4.43Å; V51-L167 HydrophobicContact CG2-CD1 4.01Å; V51-L167 HydrophobicContact CG2-CD2 4.25Å; Q163-L167 HydrophobicContact CG-CD1 3.83Å; Q163-L167 HydrophobicContact CG-CG 4.44Å; Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.15Å; K164-L167 PolarHBondContact O-N 3.5Å
168	H	67.3	Low	69.6	Low	34 Å²	34	43.4 Å²	43.4	16%	0.157	23%	0.225	C	C	.	.	S	Bend	trans	-135.4	59.1	-172.8	-65.6	-8.8	0	0	0	110.8	E49 K164 V297	E49-H168 IonicContact OE2-CE1 2.63Å; E49-H168 IonicContact OE2-NE2 3.42Å; K164-H168 WeakPolarHBondContact CD-CD2 3.29Å; K164-H168 PolarHBondContact NZ-CD2 2.76Å; K164-H168 VanDerWaalsContact NZ-CD2 3.29Å; K164-H168 PolarHBondContact NZ-NE2 2.73Å; K164-H168 CarbonylContact O-C 3.51Å; K164-H168 WeakPolarHBondContact O-CA 3.28Å; K164-H168 VanDerWaalsContact O-CB 3.3Å; K164-H168 WeakPolarHBondContact O-CB 3.3Å; K164-H168 PolarHBondContact O-N 3.47Å; H168-V297 HydrophobicContact CB-CB 4.19Å; H168-V297 HydrophobicContact CB-CG1 3.67Å; H168-V297 HydrophobicContact CB-CG2 4.2Å; H168-V297 VanDerWaalsContact CG-CG1 3.48Å
169	P	62.2	Low	68.4	Low	60 Å²	60	49 Å²	49	39%	0.39	25%	0.25	S	C	.	.			trans	-63	140.4	-175.2	27.7	-35.6	0	0	0	111.3	P172	P169-P172 HydrophobicContact CG-CG 4.38Å; P169-P172 VanDerWaalsContact O-CD 3.29Å; P169-P172 WeakPolarHBondContact O-CD 3.13Å
170	T	59	Low	67	Low	34 Å²	34	51.9 Å²	51.9	21%	0.209	26%	0.263	C	S	.	.	S	Bend	trans	-80.8	-19.9	-179.4	66.6	0	0	0	0	113.4	E142 P172 L173 Y174	E142-T170 VanDerWaalsContact CD-OG1 3.3Å; E142-T170 WeakPolarHBondContact OE1-CB 3.43Å; E142-T170 WeakPolarHBondContact OE1-CG2 3.44Å; E142-T170 PolarHBondContact OE1-N 3.34Å; E142-T170 PolarHBondContact OE1-OG1 3.01Å; E142-T170 WeakPolarHBondContact OE2-CG2 3.43Å; E142-T170 PolarHBondContact OE2-OG1 3.31Å; T170-P172 VanDerWaalsContact C-CD 3.48Å; T170-L173 PolarHBondContact O-N 3.1Å; T170-Y174 PolarHBondContact O-N 2.93Å
171	A	58.9	Low	65.7	Low	47 Å²	47	48.9 Å²	48.9	39%	0.388	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.5	-174.3	0	0	0	0	0	116.6	L173 K182	A171-L173 VanDerWaalsContact C-N 3.32Å; A171-K182 VanDerWaalsContact O-CE 3.28Å; A171-K182 WeakPolarHBondContact O-CE 3.43Å; A171-K182 PolarHBondContact O-NZ 3.2Å
172	P	56.5	Low	64.9	Low	41 Å²	41	49.3 Å²	49.3	27%	0.266	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.3	173.4	-17.9	32.8	0	0	0	113	P169 T170 E301	P169-P172 HydrophobicContact CG-CG 4.38Å; P169-P172 VanDerWaalsContact O-CD 3.29Å; P169-P172 WeakPolarHBondContact O-CD 3.13Å; T170-P172 VanDerWaalsContact C-CD 3.48Å; P172-E301 WeakPolarHBondContact CB-OE1 3.46Å
173	L	54.4	Low	64	Low	58 Å²	58	53.8 Å²	53.8	30%	0.304	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-36.7	-173.3	-56	179.9	0	0	0	112.8	T170 A171 L181 K182 C185	T170-L173 PolarHBondContact O-N 3.1Å; A171-L173 VanDerWaalsContact C-N 3.32Å; L173-L181 WeakPolarHBondContact O-CA 3.29Å; L173-L181 WeakPolarHBondContact O-CD2 3.49Å; L173-K182 PolarHBondContact O-N 3.01Å; L173-C185 HydrophobicContact CD2-CB 4.39Å; L173-C185 WeakPolarHBondContact O-CB 3.21Å; L173-C185 PolarHBondContact O-SG 2.66Å
174	Y	56	Low	62.8	Low	57 Å²	57	55.6 Å²	55.6	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.5	-170.8	-171.4	-108.4	0	0	0	111.1	T170 K179 Q180 L181	T170-Y174 PolarHBondContact O-N 2.93Å; Y174-K179 VanDerWaalsContact CE2-C 3.41Å; Y174-K179 WeakPolarHBondContact CE2-O 3.3Å; Y174-K179 WeakPolarHBondContact OH-CA 3.34Å; Y174-K179 WeakPolarHBondContact OH-CB 3.04Å; Y174-K179 PolarHBondContact OH-O 3.47Å; Y174-K179 VanDerWaalsContact OH-O 3.06Å; Y174-Q180 VanDerWaalsContact CD2-O 3.27Å; Y174-Q180 WeakPolarHBondContact CD2-O 3.26Å; Y174-L181 HydrophobicContact CD2-CD2 4.18Å
175	D	59.8	Low	61.9	Low	46 Å²	46	55.1 Å²	55.1	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.6	167.5	-161.8	-60.1	0	0	0	109	E177 D178 K179 Q180 K182	D175-E177 WeakPolarHBondContact OD1-CB 3.38Å; D175-E177 PolarHBondContact OD1-N 3.47Å; D175-D178 HydrophobicContact CB-CB 4.05Å; D175-D178 PolarHBondContact OD1-N 2.8Å; D175-K179 WeakPolarHBondContact O-CA 3.42Å; D175-K179 PolarHBondContact O-N 2.71Å; D175-Q180 PolarHBondContact N-O 2.88Å; D175-Q180 PolarHBondContact O-N 2.86Å; D175-K182 HydrophobicContact CB-CG 4.21Å
176	P	56.3	Low	61.1	Low	43 Å²	43	56.7 Å²	56.7	28%	0.279	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.8	-178.4	31.2	-34.4	0	0	0	113.2	K179	P176-K179 WeakPolarHBondContact O-CG 3.41Å
177	E	63.8	Low	60.4	Low	166 Å²	166	63.8 Å²	63.8	78%	0.776	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-50.9	176.4	-59.9	-176	-173.5	0	0	109.1	D175 K179	D175-E177 WeakPolarHBondContact OD1-CB 3.38Å; D175-E177 PolarHBondContact OD1-N 3.47Å; E177-K179 PolarHBondContact O-N 3.4Å
178	D	62.8	Low	59.8	Low	78 Å²	78	63.8 Å²	63.8	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.2	178.1	-106.9	-30.6	0	0	0	113.4	D175 Q180 R254	D175-D178 HydrophobicContact CB-CB 4.05Å; D175-D178 PolarHBondContact OD1-N 2.8Å; D178-Q180 WeakPolarHBondContact O-CG 3.43Å; D178-Q180 PolarHBondContact O-N 2.92Å; D178-R254 PolarHBondContact O-NE 3.03Å; D178-R254 PolarHBondContact O-NH1 3.3Å; D178-R254 PolarHBondContact O-NH2 3.14Å; D178-R254 IonicContact OD1-CZ 3.05Å; D178-R254 IonicContact OD1-NH1 3.92Å; D178-R254 PolarHBondContact OD1-NH1 3.25Å; D178-R254 IonicContact OD1-NH2 2.91Å; D178-R254 PolarHBondContact OD1-NH2 3.11Å
179	K	62.5	Low	59.3	Low	118 Å²	118	63 Å²	63	51%	0.513	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	30.1	-179.3	-60.7	-176.7	-179.6	-177	0	113.5	Y174 D175 P176 E177	Y174-K179 VanDerWaalsContact CE2-C 3.41Å; Y174-K179 WeakPolarHBondContact CE2-O 3.3Å; Y174-K179 WeakPolarHBondContact OH-CA 3.34Å; Y174-K179 WeakPolarHBondContact OH-CB 3.04Å; Y174-K179 PolarHBondContact OH-O 3.47Å; Y174-K179 VanDerWaalsContact OH-O 3.06Å; D175-K179 WeakPolarHBondContact O-CA 3.42Å; D175-K179 PolarHBondContact O-N 2.71Å; P176-K179 WeakPolarHBondContact O-CG 3.41Å; E177-K179 PolarHBondContact O-N 3.4Å
180	Q	59.4	Low	59.6	Low	72 Å²	72	60.8 Å²	60.8	34%	0.336	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.7	-174.9	-81.2	-173.7	-37.6	0	0	111.2	Y174 D175 D178 R254	Y174-Q180 VanDerWaalsContact CD2-O 3.27Å; Y174-Q180 WeakPolarHBondContact CD2-O 3.26Å; D175-Q180 PolarHBondContact N-O 2.88Å; D175-Q180 PolarHBondContact O-N 2.86Å; D178-Q180 WeakPolarHBondContact O-CG 3.43Å; D178-Q180 PolarHBondContact O-N 2.92Å; Q180-R254 HydrophobicContact CG-CB 4.31Å; Q180-R254 HydrophobicContact CG-CG 4.01Å
181	L	54.5	Low	59.9	Low	36 Å²	36	64 Å²	64	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.1	169.5	-67.2	171.1	0	0	0	109.9	L173 Y174 V186 L189 R251	L173-L181 WeakPolarHBondContact O-CA 3.29Å; L173-L181 WeakPolarHBondContact O-CD2 3.49Å; Y174-L181 HydrophobicContact CD2-CD2 4.18Å; L181-V186 HydrophobicContact CB-CG2 3.62Å; L181-L189 HydrophobicContact CD1-CD1 4.01Å; L181-R251 HydrophobicContact CD1-CG 4.18Å
182	K	60.3	Low	60.1	Low	71 Å²	71	63 Å²	63	31%	0.309	32%	0.318	S	S	.	.			trans	-62.7	147.9	178.9	-72.9	-175.8	174.1	174.6	0	110.9	A171 L173 D175 A184 C185 V186	A171-K182 VanDerWaalsContact O-CE 3.28Å; A171-K182 WeakPolarHBondContact O-CE 3.43Å; A171-K182 PolarHBondContact O-NZ 3.2Å; L173-K182 PolarHBondContact O-N 3.01Å; D175-K182 HydrophobicContact CB-CG 4.21Å; K182-A184 VanDerWaalsContact C-N 3.26Å; K182-A184 PolarHBondContact O-N 3.3Å; K182-A184 VanDerWaalsContact O-N 3.11Å; K182-C185 WeakPolarHBondContact O-CA 3.35Å; K182-C185 VanDerWaalsContact O-CB 3.31Å; K182-C185 WeakPolarHBondContact O-CB 3.5Å; K182-C185 PolarHBondContact O-N 3.26Å; K182-V186 PolarHBondContact O-N 2.85Å
183	P	67.3	Low	60.5	Low	94 Å²	94	61.8 Å²	61.8	61%	0.61	31%	0.308	S	S	*	.	H	α-helix	trans	-55.8	-34.2	-175	-29	35.7	0	0	0	115	V186 R187	P183-V186 PolarHBondContact O-N 2.79Å; P183-R187 WeakPolarHBondContact O-CG 3.39Å; P183-R187 PolarHBondContact O-N 3.15Å
184	A	59.5	Low	61.4	Low	44 Å²	44	64.7 Å²	64.7	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-49.2	174.8	0	0	0	0	0	112.2	K182 V186 R187 A188	K182-A184 VanDerWaalsContact C-N 3.26Å; K182-A184 PolarHBondContact O-N 3.3Å; K182-A184 VanDerWaalsContact O-N 3.11Å; A184-V186 VanDerWaalsContact C-N 3.34Å; A184-V186 PolarHBondContact O-N 3.24Å; A184-R187 PolarHBondContact O-N 3.44Å; A184-R187 VanDerWaalsContact O-N 3.16Å; A184-A188 PolarHBondContact O-N 3.24Å
185	C	53.8	Low	61.9	Low	12 Å²	12	63.1 Å²	63.1	8%	0.081	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-48.1	173.2	-175.4	0	0	0	0	110.8	L173 K182 R187 A188 L189	L173-C185 HydrophobicContact CD2-CB 4.39Å; L173-C185 WeakPolarHBondContact O-CB 3.21Å; L173-C185 PolarHBondContact O-SG 2.66Å; K182-C185 WeakPolarHBondContact O-CA 3.35Å; K182-C185 VanDerWaalsContact O-CB 3.31Å; K182-C185 WeakPolarHBondContact O-CB 3.5Å; K182-C185 PolarHBondContact O-N 3.26Å; C185-R187 VanDerWaalsContact C-N 3.34Å; C185-R187 PolarHBondContact O-N 3.18Å; C185-A188 PolarHBondContact O-N 2.91Å; C185-L189 VanDerWaalsContact O-CB 3.3Å; C185-L189 WeakPolarHBondContact O-CB 3.4Å; C185-L189 WeakPolarHBondContact O-CD1 3.42Å; C185-L189 WeakPolarHBondContact O-CG 3.14Å; C185-L189 PolarHBondContact O-N 3.37Å; C185-L189 WeakPolarHBondContact SG-CD1 3.42Å
186	V	58.8	Low	62.3	Low	36 Å²	36	61.5 Å²	61.5	22%	0.218	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-41.2	176.2	174	0	0	0	0	112.8	L181 K182 P183 A184 S190	L181-V186 HydrophobicContact CB-CG2 3.62Å; K182-V186 PolarHBondContact O-N 2.85Å; P183-V186 PolarHBondContact O-N 2.79Å; A184-V186 VanDerWaalsContact C-N 3.34Å; A184-V186 PolarHBondContact O-N 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.31Å; V186-S190 PolarHBondContact O-N 3.46Å; V186-S190 PolarHBondContact O-OG 3.19Å
187	R	65.6	Low	63.1	Low	168 Å²	168	59.7 Å²	59.7	63%	0.634	29%	0.291	S	S	*	.	H	α-helix	trans	-65.4	-49.5	176.4	-74.3	-172	-57	-104.6	5.6	112	P183 A184 C185 L189 S190 R191	P183-R187 WeakPolarHBondContact O-CG 3.39Å; P183-R187 PolarHBondContact O-N 3.15Å; A184-R187 PolarHBondContact O-N 3.44Å; A184-R187 VanDerWaalsContact O-N 3.16Å; C185-R187 VanDerWaalsContact C-N 3.34Å; C185-R187 PolarHBondContact O-N 3.18Å; R187-L189 VanDerWaalsContact C-N 3.29Å; R187-L189 PolarHBondContact O-N 3.16Å; R187-S190 PolarHBondContact O-N 3.42Å; R187-R191 PolarHBondContact O-N 3.22Å
188	A	57.3	Low	63.5	Low	24 Å²	24	57 Å²	57	20%	0.198	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-44	178.4	0	0	0	0	0	111.4	A184 C185 S190 R191 I192 I304	A184-A188 PolarHBondContact O-N 3.24Å; C185-A188 PolarHBondContact O-N 2.91Å; A188-S190 PolarHBondContact O-N 3.28Å; A188-R191 WeakPolarHBondContact O-CB 3.5Å; A188-R191 PolarHBondContact O-N 3.42Å; A188-I192 WeakPolarHBondContact O-CG1 3.27Å; A188-I192 PolarHBondContact O-N 2.92Å; A188-I304 HydrophobicContact CB-CG2 4.25Å
189	L	56.3	Low	64.1	Low	18 Å²	18	58.3 Å²	58.3	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-71.4	-29.8	-180	-66.5	168	0	0	0	113.3	L181 C185 R187 I192 F193 R251	L181-L189 HydrophobicContact CD1-CD1 4.01Å; C185-L189 VanDerWaalsContact O-CB 3.3Å; C185-L189 WeakPolarHBondContact O-CB 3.4Å; C185-L189 WeakPolarHBondContact O-CD1 3.42Å; C185-L189 WeakPolarHBondContact O-CG 3.14Å; C185-L189 PolarHBondContact O-N 3.37Å; C185-L189 WeakPolarHBondContact SG-CD1 3.42Å; R187-L189 VanDerWaalsContact C-N 3.29Å; R187-L189 PolarHBondContact O-N 3.16Å; L189-I192 HydrophobicContact CD2-CD1 4.24Å; L189-F193 PolarHBondContact O-N 3.45Å; L189-F193 VanDerWaalsContact O-N 3.12Å; L189-R251 VanDerWaalsContact CD2-NH2 3.32Å
190	S	67.6	Low	64.8	Low	14 Å²	14	58.1 Å²	58.1	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-37.7	170.3	-54.9	0	0	0	0	111	V186 R187 A188 F193 Y194 K252	V186-S190 WeakPolarHBondContact O-CB 3.31Å; V186-S190 PolarHBondContact O-N 3.46Å; V186-S190 PolarHBondContact O-OG 3.19Å; R187-S190 PolarHBondContact O-N 3.42Å; A188-S190 PolarHBondContact O-N 3.28Å; S190-F193 WeakPolarHBondContact O-CB 3.43Å; S190-F193 PolarHBondContact O-N 3.18Å; S190-Y194 WeakPolarHBondContact O-CD2 3.43Å; S190-Y194 PolarHBondContact O-N 3.32Å; S190-Y194 VanDerWaalsContact O-N 3.12Å; S190-K252 PolarHBondContact OG-NZ 2.88Å
191	R	67.1	Low	65.8	Low	102 Å²	102	58.6 Å²	58.6	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-44.4	172.6	176.7	177.4	171.1	-105.5	-15.3	111.8	R187 A188 F193 Y194 I195 G348 Y349	R187-R191 PolarHBondContact O-N 3.22Å; A188-R191 WeakPolarHBondContact O-CB 3.5Å; A188-R191 PolarHBondContact O-N 3.42Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.17Å; R191-Y194 PolarHBondContact O-N 3.21Å; R191-I195 HydrophobicContact CG-CD1 3.82Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 2.93Å; R191-I195 VanDerWaalsContact O-N 3.09Å; R191-G348 PolarHBondContact NH2-O 3.31Å; R191-Y349 PolarHBondContact NE-O 3.35Å; R191-Y349 VanDerWaalsContact NH2-C 3.27Å; R191-Y349 VanDerWaalsContact NH2-CA 3.33Å; R191-Y349 PolarHBondContact NH2-O 2.91Å
192	I	62.6	Low	67	Low	26 Å²	26	65.4 Å²	65.4	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-43.6	176.5	-69.6	163.1	0	0	0	110.3	A188 L189 Y194 I195 S196 F212 F299	A188-I192 WeakPolarHBondContact O-CG1 3.27Å; A188-I192 PolarHBondContact O-N 2.92Å; L189-I192 HydrophobicContact CD2-CD1 4.24Å; I192-Y194 PolarHBondContact O-N 3.36Å; I192-I195 PolarHBondContact O-N 2.79Å; I192-I195 VanDerWaalsContact O-N 3.17Å; I192-S196 PolarHBondContact O-N 3.45Å; I192-S196 PolarHBondContact O-OG 3.45Å; I192-S196 VanDerWaalsContact O-OG 3.1Å; I192-F212 HydrophobicContact CG2-CD2 4.5Å; I192-F212 HydrophobicContact CG2-CE2 3.58Å; I192-F212 HydrophobicContact CG2-CZ 4.05Å; I192-F299 HydrophobicContact CD1-CD2 4.39Å; I192-F299 HydrophobicContact CD1-CE1 4.33Å; I192-F299 HydrophobicContact CD1-CE2 3.7Å; I192-F299 HydrophobicContact CD1-CZ 3.67Å; I192-F299 HydrophobicContact CG1-CZ 4.37Å
193	F	65.3	Low	68	Low	15 Å²	15	62.8 Å²	62.8	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-54.7	-53	174.4	-173.5	-79.8	0	0	0	111.7	L189 S190 R191 I195 S196 D197 R202 L204 L246 T247 L248	L189-F193 PolarHBondContact O-N 3.45Å; L189-F193 VanDerWaalsContact O-N 3.12Å; S190-F193 WeakPolarHBondContact O-CB 3.43Å; S190-F193 PolarHBondContact O-N 3.18Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.17Å; F193-I195 PolarHBondContact O-N 3.44Å; F193-S196 PolarHBondContact O-N 3.41Å; F193-S196 VanDerWaalsContact O-N 3.09Å; F193-D197 HydrophobicContact CD1-CB 4.46Å; F193-D197 HydrophobicContact CE1-CB 4.34Å; F193-D197 VanDerWaalsContact O-CB 3.24Å; F193-D197 WeakPolarHBondContact O-CB 3.37Å; F193-D197 PolarHBondContact O-N 3.43Å; F193-R202 WeakPolarHBondContact CE1-O 3.14Å; F193-R202 VanDerWaalsContact CZ-O 3.26Å; F193-R202 WeakPolarHBondContact CZ-O 3.48Å; F193-L204 HydrophobicContact CD2-CD1 3.58Å; F193-L204 HydrophobicContact CD2-CG 3.97Å; F193-L204 HydrophobicContact CE2-CD1 3.61Å; F193-L204 HydrophobicContact CE2-CG 3.56Å; F193-L204 HydrophobicContact CG-CD1 4.35Å; F193-L204 HydrophobicContact CZ-CD1 4.38Å; F193-L204 HydrophobicContact CZ-CG 3.86Å; F193-L246 WeakPolarHBondContact CE2-O 3.21Å; F193-T247 VanDerWaalsContact CE2-C 3.47Å; F193-L248 HydrophobicContact CB-CD1 3.83Å; F193-L248 HydrophobicContact CD1-CB 4.06Å; F193-L248 HydrophobicContact CD1-CD1 4.22Å; F193-L248 HydrophobicContact CD2-CB 4.25Å; F193-L248 HydrophobicContact CD2-CD1 4.14Å; F193-L248 HydrophobicContact CE1-CB 4Å; F193-L248 HydrophobicContact CE2-CB 4.17Å; F193-L248 VanDerWaalsContact CE2-N 3.29Å; F193-L248 HydrophobicContact CG-CB 4.21Å; F193-L248 HydrophobicContact CG-CD1 3.8Å; F193-L248 HydrophobicContact CZ-CB 4.06Å; F193-L248 VanDerWaalsContact CZ-N 3.33Å
194	Y	72.2	Confident	68.3	Low	118 Å²	118	59 Å²	59	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-11	179.4	-65.2	-53.5	0	0	0	115.6	S190 R191 I192 L248	S190-Y194 WeakPolarHBondContact O-CD2 3.43Å; S190-Y194 PolarHBondContact O-N 3.32Å; S190-Y194 VanDerWaalsContact O-N 3.12Å; R191-Y194 PolarHBondContact O-N 3.21Å; I192-Y194 PolarHBondContact O-N 3.36Å; Y194-L248 HydrophobicContact CE1-CD2 4.35Å; Y194-L248 HydrophobicContact CE2-CD2 4.2Å; Y194-L248 WeakPolarHBondContact OH-CD2 3.44Å
195	I	67.8	Low	69.5	Low	24 Å²	24	58.9 Å²	58.9	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-92.1	-32.9	171.4	-68.6	168.8	0	0	0	110.1	R191 I192 F193 L355	R191-I195 HydrophobicContact CG-CD1 3.82Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 2.93Å; R191-I195 VanDerWaalsContact O-N 3.09Å; I192-I195 PolarHBondContact O-N 2.79Å; I192-I195 VanDerWaalsContact O-N 3.17Å; F193-I195 PolarHBondContact O-N 3.44Å; I195-L355 HydrophobicContact CG2-CD2 4.37Å; I195-L355 HydrophobicContact CG2-CG 4.32Å; I195-L355 WeakPolarHBondContact O-CD2 3.48Å
196	S	67.6	Low	70.9	Confident	13 Å²	13	61 Å²	61	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-77.7	-25.7	176.7	-58.1	0	0	0	0	113.4	I192 F193 Q198 L204 E208 F212	I192-S196 PolarHBondContact O-N 3.45Å; I192-S196 PolarHBondContact O-OG 3.45Å; I192-S196 VanDerWaalsContact O-OG 3.1Å; F193-S196 PolarHBondContact O-N 3.41Å; F193-S196 VanDerWaalsContact O-N 3.09Å; S196-Q198 PolarHBondContact O-N 2.69Å; S196-L204 VanDerWaalsContact C-CD2 3.43Å; S196-E208 WeakPolarHBondContact O-CB 3.37Å; S196-F212 WeakPolarHBondContact OG-CD2 3.37Å
197	D	72.4	Confident	72.1	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	31%	0.308	C	S	.	.			trans	-76.3	93.1	172.6	174	6.1	0	0	0	108.4	F193 N200 D201 R202 L204	F193-D197 HydrophobicContact CD1-CB 4.46Å; F193-D197 HydrophobicContact CE1-CB 4.34Å; F193-D197 VanDerWaalsContact O-CB 3.24Å; F193-D197 WeakPolarHBondContact O-CB 3.37Å; F193-D197 PolarHBondContact O-N 3.43Å; D197-N200 WeakPolarHBondContact OD1-CA 3.13Å; D197-N200 PolarHBondContact OD1-N 3.36Å; D197-D201 PolarHBondContact OD1-N 3.21Å; D197-R202 VanDerWaalsContact OD2-CA 3.26Å; D197-R202 WeakPolarHBondContact OD2-CA 3.31Å; D197-R202 PolarHBondContact OD2-N 2.71Å; D197-L204 HydrophobicContact CB-CD2 3.92Å; D197-L204 VanDerWaalsContact N-CD2 3.35Å
198	Q	71.9	Confident	72.6	Confident	111 Å²	111	55.3 Å²	55.3	52%	0.519	28%	0.28	S	S	.	.	S	Bend	trans	-85.2	-35.4	-170.2	-62	-167.4	4.7	0	0	111.9	S196 N200 E208 L355	S196-Q198 PolarHBondContact O-N 2.69Å; Q198-N200 PolarHBondContact O-ND2 3.33Å; Q198-E208 HydrophobicContact CG-CG 4.36Å; Q198-E208 PolarHBondContact N-OE1 2.97Å; Q198-L355 HydrophobicContact CG-CD2 4.44Å
199	D	76.8	Confident	73.1	Confident	104 Å²	104	54.8 Å²	54.8	56%	0.556	27%	0.274	S	S	*	.	S	Bend	trans	-87.4	-8.2	177.1	67.6	22.8	0	0	0	113.8	D201	D199-D201 VanDerWaalsContact C-N 3.31Å; D199-D201 VanDerWaalsContact OD1-CB 3.29Å; D199-D201 WeakPolarHBondContact OD1-CB 3.3Å; D199-D201 PolarHBondContact OD1-N 3.11Å
200	N	77	Confident	74.2	Confident	114 Å²	114	56 Å²	56	61%	0.61	28%	0.28	S	S	*	.			trans	66.7	24.7	178.3	-70.3	-110.4	0	0	0	113.8	D197 Q198 R202	D197-N200 WeakPolarHBondContact OD1-CA 3.13Å; D197-N200 PolarHBondContact OD1-N 3.36Å; Q198-N200 PolarHBondContact O-ND2 3.33Å; N200-R202 PolarHBondContact O-N 2.93Å
201	D	79.6	Confident	74.2	Confident	82 Å²	82	57.5 Å²	57.5	44%	0.439	29%	0.291	S	S	.	.	S	Bend	trans	-74.1	-11.3	175.4	88.6	-11.6	0	0	0	113.7	D197 D199 I203	D197-D201 PolarHBondContact OD1-N 3.21Å; D199-D201 VanDerWaalsContact C-N 3.31Å; D199-D201 VanDerWaalsContact OD1-CB 3.29Å; D199-D201 WeakPolarHBondContact OD1-CB 3.3Å; D199-D201 PolarHBondContact OD1-N 3.11Å; D201-I203 VanDerWaalsContact OD1-CA 3.29Å; D201-I203 WeakPolarHBondContact OD1-CA 3.33Å; D201-I203 WeakPolarHBondContact OD1-CB 3.33Å; D201-I203 PolarHBondContact OD1-N 3.03Å
202	R	79.7	Confident	74.2	Confident	180 Å²	180	54.8 Å²	54.8	68%	0.679	28%	0.282	S	S	*	.	S	Bend	trans	76.3	16.8	-178	-48.4	174.9	177.2	-177.7	0.2	115.3	F193 D197 N200	F193-R202 WeakPolarHBondContact CE1-O 3.14Å; F193-R202 VanDerWaalsContact CZ-O 3.26Å; F193-R202 WeakPolarHBondContact CZ-O 3.48Å; D197-R202 VanDerWaalsContact OD2-CA 3.26Å; D197-R202 WeakPolarHBondContact OD2-CA 3.31Å; D197-R202 PolarHBondContact OD2-N 2.71Å; N200-R202 PolarHBondContact O-N 2.93Å
203	I	81.6	Confident	74.1	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	157.9	173.5	-52.8	178.1	0	0	0	106.1	D201 Q242 D243 G245 L246	D201-I203 VanDerWaalsContact OD1-CA 3.29Å; D201-I203 WeakPolarHBondContact OD1-CA 3.33Å; D201-I203 WeakPolarHBondContact OD1-CB 3.33Å; D201-I203 PolarHBondContact OD1-N 3.03Å; I203-Q242 HydrophobicContact CD1-CB 4.09Å; I203-Q242 HydrophobicContact CD1-CG 4.17Å; I203-D243 HydrophobicContact CD1-CB 4.22Å; I203-G245 VanDerWaalsContact CG2-C 3.42Å; I203-G245 VanDerWaalsContact CG2-CA 3.43Å; I203-L246 CarbonylContact C-O 3.49Å
204	L	74.1	Confident	74.1	Confident	15 Å²	15	58.5 Å²	58.5	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108	165.9	-65.7	175.1	0	0	0	107.8	F193 S196 D197 E208 L209 G245 L246	F193-L204 HydrophobicContact CD2-CD1 3.58Å; F193-L204 HydrophobicContact CD2-CG 3.97Å; F193-L204 HydrophobicContact CE2-CD1 3.61Å; F193-L204 HydrophobicContact CE2-CG 3.56Å; F193-L204 HydrophobicContact CG-CD1 4.35Å; F193-L204 HydrophobicContact CZ-CD1 4.38Å; F193-L204 HydrophobicContact CZ-CG 3.86Å; S196-L204 VanDerWaalsContact C-CD2 3.43Å; D197-L204 HydrophobicContact CB-CD2 3.92Å; D197-L204 VanDerWaalsContact N-CD2 3.35Å; L204-E208 HydrophobicContact CD2-CB 4.33Å; L204-L209 HydrophobicContact CB-CD1 4.4Å; L204-L209 HydrophobicContact CB-CD2 3.66Å; L204-L209 HydrophobicContact CB-CG 3.8Å; L204-L209 HydrophobicContact CD1-CD2 3.89Å; L204-L209 HydrophobicContact CG-CD2 4.43Å; L204-L209 WeakPolarHBondContact O-CD1 3.42Å; L204-G245 CarbonylContact O-C 3.55Å; L204-G245 WeakPolarHBondContact O-CA 3.49Å; L204-L246 HydrophobicContact CB-CB 4.48Å; L204-L246 PolarHBondContact N-O 3.29Å; L204-L246 PolarHBondContact O-N 2.94Å
205	S	84.4	Confident	73.5	Confident	40 Å²	40	55.7 Å²	55.7	28%	0.28	30%	0.295	S	S	.	.			trans	-66.5	167.2	175.1	69.5	0	0	0	0	111.8	A207 E208 L209	S205-A207 PolarHBondContact O-N 2.94Å; S205-E208 WeakPolarHBondContact CB-OE2 3.26Å; S205-E208 PolarHBondContact N-OE2 3.02Å; S205-E208 PolarHBondContact O-N 2.79Å; S205-E208 WeakPolarHBondContact OG-CG 3.42Å; S205-E208 PolarHBondContact OG-N 2.98Å; S205-E208 PolarHBondContact OG-OE2 2.97Å; S205-L209 WeakPolarHBondContact O-CB 3.48Å; S205-L209 VanDerWaalsContact O-CG 3.29Å; S205-L209 WeakPolarHBondContact O-CG 3.4Å; S205-L209 PolarHBondContact O-N 3.13Å
206	D	84	Confident	72.6	Confident	56 Å²	56	57.2 Å²	57.2	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-27.7	176.1	-70.1	-19.7	0	0	0	112.7	N210 L226 K230	D206-N210 VanDerWaalsContact O-CB 3.29Å; D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 VanDerWaalsContact O-CG 3.28Å; D206-N210 PolarHBondContact O-N 2.84Å; D206-N210 VanDerWaalsContact O-N 3.14Å; D206-N210 PolarHBondContact O-ND2 3.06Å; D206-L226 HydrophobicContact CB-CD2 3.93Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.41Å; D206-K230 WeakPolarHBondContact OD1-CE 3.4Å; D206-K230 IonicContact OD1-NZ 2.78Å; D206-K230 PolarHBondContact OD1-NZ 3.14Å; D206-K230 IonicContact OD2-NZ 3.43Å; D206-K230 PolarHBondContact OD2-NZ 2.94Å
207	A	83.1	Confident	71.8	Confident	74 Å²	74	60.5 Å²	60.5	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-68.3	-47.2	174.9	0	0	0	0	0	111	S205 N210 S211	S205-A207 PolarHBondContact O-N 2.94Å; A207-N210 PolarHBondContact O-N 3.18Å; A207-S211 WeakPolarHBondContact O-CB 3.3Å; A207-S211 PolarHBondContact O-N 3.01Å
208	E	76.3	Confident	70.7	Confident	12 Å²	12	62.8 Å²	62.8	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-70.8	-38.9	-179.3	-68.2	159.4	130.7	0	0	112.2	S196 Q198 L204 S205 N210 S211 F212	S196-E208 WeakPolarHBondContact O-CB 3.37Å; Q198-E208 HydrophobicContact CG-CG 4.36Å; Q198-E208 PolarHBondContact N-OE1 2.97Å; L204-E208 HydrophobicContact CD2-CB 4.33Å; S205-E208 WeakPolarHBondContact CB-OE2 3.26Å; S205-E208 PolarHBondContact N-OE2 3.02Å; S205-E208 PolarHBondContact O-N 2.79Å; S205-E208 WeakPolarHBondContact OG-CG 3.42Å; S205-E208 PolarHBondContact OG-N 2.98Å; S205-E208 PolarHBondContact OG-OE2 2.97Å; E208-N210 VanDerWaalsContact C-N 3.35Å; E208-N210 PolarHBondContact O-N 2.98Å; E208-S211 PolarHBondContact O-N 3.44Å; E208-F212 WeakPolarHBondContact O-CB 3.48Å; E208-F212 PolarHBondContact O-N 3.33Å
209	L	68.4	Low	70.4	Confident	13 Å²	13	63 Å²	63	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-62.6	-42.1	174.2	-70.1	172.2	0	0	0	111.5	L204 S205 Q213 L226 L246	L204-L209 HydrophobicContact CB-CD1 4.4Å; L204-L209 HydrophobicContact CB-CD2 3.66Å; L204-L209 HydrophobicContact CB-CG 3.8Å; L204-L209 HydrophobicContact CD1-CD2 3.89Å; L204-L209 HydrophobicContact CG-CD2 4.43Å; L204-L209 WeakPolarHBondContact O-CD1 3.42Å; S205-L209 WeakPolarHBondContact O-CB 3.48Å; S205-L209 VanDerWaalsContact O-CG 3.29Å; S205-L209 WeakPolarHBondContact O-CG 3.4Å; S205-L209 PolarHBondContact O-N 3.13Å; L209-Q213 WeakPolarHBondContact O-CB 3.21Å; L209-Q213 VanDerWaalsContact O-CG 3.3Å; L209-Q213 WeakPolarHBondContact O-CG 3.36Å; L209-Q213 PolarHBondContact O-N 3.16Å; L209-L226 HydrophobicContact CB-CD1 4.15Å; L209-L226 HydrophobicContact CD1-CD1 3.99Å; L209-L246 HydrophobicContact CD1-CB 4.33Å; L209-L246 HydrophobicContact CD1-CD1 3.77Å; L209-L246 HydrophobicContact CD1-CG 3.9Å; L209-L246 HydrophobicContact CD2-CD1 3.93Å
210	N	77.8	Confident	69.9	Low	42 Å²	42	61.8 Å²	61.8	23%	0.225	35%	0.347	C	S	.	.	H	α-helix	trans	-69.3	-37.6	175.2	-77.2	-48.9	0	0	0	112.4	D206 A207 E208 Q213 K214 P220 L221	D206-N210 VanDerWaalsContact O-CB 3.29Å; D206-N210 WeakPolarHBondContact O-CB 3.49Å; D206-N210 VanDerWaalsContact O-CG 3.28Å; D206-N210 PolarHBondContact O-N 2.84Å; D206-N210 VanDerWaalsContact O-N 3.14Å; D206-N210 PolarHBondContact O-ND2 3.06Å; A207-N210 PolarHBondContact O-N 3.18Å; E208-N210 VanDerWaalsContact C-N 3.35Å; E208-N210 PolarHBondContact O-N 2.98Å; N210-Q213 PolarHBondContact O-N 3.37Å; N210-K214 WeakPolarHBondContact O-CB 3.25Å; N210-K214 PolarHBondContact O-N 3.49Å; N210-P220 HydrophobicContact CB-CB 3.97Å; N210-P220 WeakPolarHBondContact OD1-CB 3.18Å; N210-L221 PolarHBondContact OD1-N 3.21Å; N210-L221 PolarHBondContact OD1-O 3.28Å
211	S	69.7	Low	69.3	Low	46 Å²	46	58.4 Å²	58.4	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-50.6	174.5	-173.7	0	0	0	0	111.6	A207 E208 Q213 K214 S215	A207-S211 WeakPolarHBondContact O-CB 3.3Å; A207-S211 PolarHBondContact O-N 3.01Å; E208-S211 PolarHBondContact O-N 3.44Å; S211-Q213 VanDerWaalsContact C-N 3.27Å; S211-Q213 PolarHBondContact O-N 3.36Å; S211-K214 PolarHBondContact O-N 2.94Å; S211-S215 WeakPolarHBondContact O-CB 3.46Å; S211-S215 PolarHBondContact O-N 3.24Å
212	F	65.8	Low	69	Low	46 Å²	46	57.4 Å²	57.4	20%	0.202	33%	0.331	C	S	.	.	H	α-helix	trans	-54.4	-42	174.3	172.8	-105.6	0	0	0	112.1	I192 S196 E208 S215 C216 L296	I192-F212 HydrophobicContact CG2-CD2 4.5Å; I192-F212 HydrophobicContact CG2-CE2 3.58Å; I192-F212 HydrophobicContact CG2-CZ 4.05Å; S196-F212 WeakPolarHBondContact OG-CD2 3.37Å; E208-F212 WeakPolarHBondContact O-CB 3.48Å; E208-F212 PolarHBondContact O-N 3.33Å; F212-S215 PolarHBondContact O-N 2.94Å; F212-C216 WeakPolarHBondContact CE2-SG 3.2Å; F212-C216 WeakPolarHBondContact O-CB 3.11Å; F212-C216 PolarHBondContact O-N 3.32Å; F212-C216 PolarHBondContact O-SG 3Å; F212-L296 HydrophobicContact CZ-CD2 4.28Å
213	Q	60.8	Low	68.9	Low	19 Å²	19	53.8 Å²	53.8	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-75.2	-37.6	178.3	-75.6	-173.2	-30.8	0	0	114.4	L209 N210 S211 S215 C216 F217 N219 L221	L209-Q213 WeakPolarHBondContact O-CB 3.21Å; L209-Q213 VanDerWaalsContact O-CG 3.3Å; L209-Q213 WeakPolarHBondContact O-CG 3.36Å; L209-Q213 PolarHBondContact O-N 3.16Å; N210-Q213 PolarHBondContact O-N 3.37Å; S211-Q213 VanDerWaalsContact C-N 3.27Å; S211-Q213 PolarHBondContact O-N 3.36Å; Q213-S215 VanDerWaalsContact C-N 3.26Å; Q213-S215 PolarHBondContact O-N 3.33Å; Q213-C216 PolarHBondContact O-N 3.26Å; Q213-F217 HydrophobicContact CB-CD2 4.16Å; Q213-F217 HydrophobicContact CG-CD2 4.08Å; Q213-F217 HydrophobicContact CG-CE2 4.27Å; Q213-F217 WeakPolarHBondContact O-CA 3.2Å; Q213-F217 WeakPolarHBondContact O-CB 3.42Å; Q213-F217 PolarHBondContact O-N 2.9Å; Q213-N219 CarbonylContact C-O 3.6Å; Q213-L221 VanDerWaalsContact OE1-CD1 3.29Å; Q213-L221 VanDerWaalsContact OE1-N 3.09Å
214	K	65.2	Low	68.4	Low	100 Å²	100	59.2 Å²	59.2	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-58	-43.7	170.2	-175.8	-165.2	166.6	-142.8	0	109.9	N210 S211 G218 E357	N210-K214 WeakPolarHBondContact O-CB 3.25Å; N210-K214 PolarHBondContact O-N 3.49Å; S211-K214 PolarHBondContact O-N 2.94Å; K214-G218 WeakPolarHBondContact O-CA 3.38Å; K214-G218 PolarHBondContact O-N 2.91Å; K214-E357 VanDerWaalsContact NZ-CD 3.34Å; K214-E357 IonicContact NZ-OE1 2.68Å; K214-E357 PolarHBondContact NZ-OE1 3.22Å; K214-E357 IonicContact NZ-OE2 3.18Å; K214-E357 PolarHBondContact NZ-OE2 3.06Å; K214-E357 VanDerWaalsContact NZ-OE2 3.14Å
215	S	59.5	Low	67.9	Low	59 Å²	59	60.1 Å²	60.1	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-46	176.2	-170.3	0	0	0	0	112.9	S211 F212 Q213	S211-S215 WeakPolarHBondContact O-CB 3.46Å; S211-S215 PolarHBondContact O-N 3.24Å; F212-S215 PolarHBondContact O-N 2.94Å; Q213-S215 VanDerWaalsContact C-N 3.26Å; Q213-S215 PolarHBondContact O-N 3.33Å
216	C	49.3	Very low	67.1	Low	56 Å²	56	58.5 Å²	58.5	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-80.6	-32.4	-176.6	-66	0	0	0	0	115.1	F212 Q213	F212-C216 WeakPolarHBondContact CE2-SG 3.2Å; F212-C216 WeakPolarHBondContact O-CB 3.11Å; F212-C216 PolarHBondContact O-N 3.32Å; F212-C216 PolarHBondContact O-SG 3Å; Q213-C216 PolarHBondContact O-N 3.26Å
217	F	51.2	Low	66.5	Low	82 Å²	82	58.9 Å²	58.9	36%	0.36	35%	0.354	S	S	.	.	H	α-helix	trans	-131.1	3.4	-166.4	-49.8	-62.2	0	0	0	114	Q213 N219 F294	Q213-F217 HydrophobicContact CB-CD2 4.16Å; Q213-F217 HydrophobicContact CG-CD2 4.08Å; Q213-F217 HydrophobicContact CG-CE2 4.27Å; Q213-F217 WeakPolarHBondContact O-CA 3.2Å; Q213-F217 WeakPolarHBondContact O-CB 3.42Å; Q213-F217 PolarHBondContact O-N 2.9Å; F217-N219 PolarHBondContact O-N 3.39Å; F217-N219 VanDerWaalsContact O-N 3.11Å; F217-N219 PolarHBondContact O-ND2 3.26Å; F217-F294 WeakPolarHBondContact CZ-O 3.49Å
218	G	48.9	Very low	65.6	Low	51 Å²	51	59.5 Å²	59.5	53%	0.526	35%	0.347	S	S	.	.	S	Bend	trans	72.8	-8.3	-179.6	0	0	0	0	0	115.3	K214	K214-G218 WeakPolarHBondContact O-CA 3.38Å; K214-G218 PolarHBondContact O-N 2.91Å
219	N	65.1	Low	65	Low	116 Å²	116	60.5 Å²	60.5	62%	0.62	35%	0.354	S	S	*	.	S	Bend	trans	-142.6	140	-175.2	-64.2	-86	0	0	0	111.3	Q213 F217	Q213-N219 CarbonylContact C-O 3.6Å; F217-N219 PolarHBondContact O-N 3.39Å; F217-N219 VanDerWaalsContact O-N 3.11Å; F217-N219 PolarHBondContact O-ND2 3.26Å
220	P	66.6	Low	64.7	Low	79 Å²	79	60.1 Å²	60.1	51%	0.513	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74	159.6	171.7	32.2	-35.1	0	0	0	112	N210	N210-P220 HydrophobicContact CB-CB 3.97Å; N210-P220 WeakPolarHBondContact OD1-CB 3.18Å
221	L	63.4	Low	64.3	Low	42 Å²	42	60.7 Å²	60.7	22%	0.22	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-68	146.4	169.4	-95.7	169.1	0	0	0	111	N210 Q213 A225 L226 F294	N210-L221 PolarHBondContact OD1-N 3.21Å; N210-L221 PolarHBondContact OD1-O 3.28Å; Q213-L221 VanDerWaalsContact OE1-CD1 3.29Å; Q213-L221 VanDerWaalsContact OE1-N 3.09Å; L221-A225 HydrophobicContact CD2-CB 3.61Å; L221-L226 HydrophobicContact CB-CB 4.35Å; L221-L226 HydrophobicContact CB-CD1 4.5Å; L221-L226 HydrophobicContact CD1-CB 4.33Å; L221-L226 HydrophobicContact CD1-CD1 3.66Å; L221-F294 HydrophobicContact CD1-CE1 4.44Å
222	A	74.1	Confident	63.7	Low	61 Å²	61	61.7 Å²	61.7	50%	0.504	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-62.9	137.7	161.9	0	0	0	0	0	109.5	Q224 A225 L226	A222-Q224 VanDerWaalsContact C-N 3.28Å; A222-Q224 PolarHBondContact O-N 2.81Å; A222-Q224 VanDerWaalsContact O-N 3.14Å; A222-A225 HydrophobicContact CB-CB 4.46Å; A222-A225 WeakPolarHBondContact O-CA 3.46Å; A222-A225 WeakPolarHBondContact O-CB 3.4Å; A222-A225 PolarHBondContact O-N 2.92Å; A222-L226 PolarHBondContact O-N 2.92Å; A222-L226 VanDerWaalsContact O-N 3.14Å
223	P	77.3	Confident	63.3	Low	104 Å²	104	61 Å²	61	68%	0.675	36%	0.36	S	S	*	.	H	α-helix	trans	-52.8	-41	-175.2	-30.2	35.4	0	0	0	114.3	A225 L226 E227	P223-A225 VanDerWaalsContact C-N 3.3Å; P223-A225 PolarHBondContact O-N 3.21Å; P223-L226 WeakPolarHBondContact O-CB 3.35Å; P223-L226 PolarHBondContact O-N 3.39Å; P223-E227 PolarHBondContact O-N 2.85Å
224	Q	71.9	Confident	63.5	Low	131 Å²	131	67.6 Å²	67.6	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-60.9	-37.7	176.3	-176	59.2	58.3	0	0	112.9	A222 L226 E227 D228	A222-Q224 VanDerWaalsContact C-N 3.28Å; A222-Q224 PolarHBondContact O-N 2.81Å; A222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; Q224-E227 PolarHBondContact O-N 2.8Å; Q224-D228 PolarHBondContact NE2-OD1 3.46Å; Q224-D228 VanDerWaalsContact NE2-OD1 3.1Å; Q224-D228 PolarHBondContact O-N 3.5Å
225	A	63.6	Low	63.5	Low	34 Å²	34	70.3 Å²	70.3	28%	0.281	40%	0.396	S	S	.	.	H	α-helix	trans	-75.6	-25.8	179.5	0	0	0	0	0	111.9	L221 A222 P223 V229	L221-A225 HydrophobicContact CD2-CB 3.61Å; A222-A225 HydrophobicContact CB-CB 4.46Å; A222-A225 WeakPolarHBondContact O-CA 3.46Å; A222-A225 WeakPolarHBondContact O-CB 3.4Å; A222-A225 PolarHBondContact O-N 2.92Å; P223-A225 VanDerWaalsContact C-N 3.3Å; P223-A225 PolarHBondContact O-N 3.21Å; A225-V229 WeakPolarHBondContact O-CG2 3.31Å; A225-V229 PolarHBondContact O-N 3.15Å
226	L	66.3	Low	63.2	Low	6 Å²	6	71.8 Å²	71.8	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-70.2	-44.5	170.7	-165.7	64.4	0	0	0	111.1	D206 L209 L221 A222 P223 Q224 D228 V229 K230	D206-L226 HydrophobicContact CB-CD2 3.93Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.41Å; L209-L226 HydrophobicContact CB-CD1 4.15Å; L209-L226 HydrophobicContact CD1-CD1 3.99Å; L221-L226 HydrophobicContact CB-CB 4.35Å; L221-L226 HydrophobicContact CB-CD1 4.5Å; L221-L226 HydrophobicContact CD1-CB 4.33Å; L221-L226 HydrophobicContact CD1-CD1 3.66Å; A222-L226 PolarHBondContact O-N 2.92Å; A222-L226 VanDerWaalsContact O-N 3.14Å; P223-L226 WeakPolarHBondContact O-CB 3.35Å; P223-L226 PolarHBondContact O-N 3.39Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; L226-D228 PolarHBondContact O-N 3.35Å; L226-V229 WeakPolarHBondContact O-CB 3.5Å; L226-V229 PolarHBondContact O-N 3.43Å; L226-V229 VanDerWaalsContact O-N 3.1Å; L226-K230 PolarHBondContact O-N 3.18Å
227	E	72	Confident	63.6	Low	64 Å²	64	70.1 Å²	70.1	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-38.4	173.5	-75.5	-56.7	141.4	0	0	113.2	P223 Q224 V229 K230 T231	P223-E227 PolarHBondContact O-N 2.85Å; Q224-E227 PolarHBondContact O-N 2.8Å; E227-V229 PolarHBondContact O-N 2.88Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.43Å; E227-K230 IonicContact OE1-NZ 3.26Å; E227-K230 PolarHBondContact OE1-NZ 2.96Å; E227-T231 WeakPolarHBondContact O-CB 3.36Å; E227-T231 PolarHBondContact O-N 3.15Å; E227-T231 PolarHBondContact O-OG1 2.66Å
228	D	65.1	Low	64.1	Low	87 Å²	87	71.3 Å²	71.3	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-35.6	172.4	-74.6	-6.6	0	0	0	111.6	Q224 L226 V232	Q224-D228 PolarHBondContact NE2-OD1 3.46Å; Q224-D228 VanDerWaalsContact NE2-OD1 3.1Å; Q224-D228 PolarHBondContact O-N 3.5Å; L226-D228 PolarHBondContact O-N 3.35Å; D228-V232 WeakPolarHBondContact O-CG2 3.41Å; D228-V232 PolarHBondContact O-N 2.88Å
229	V	61.9	Low	65	Low	33 Å²	33	72.1 Å²	72.1	20%	0.2	40%	0.398	C	S	.	.	H	α-helix	trans	-72.4	-50.6	177.5	172.1	0	0	0	0	111.4	A225 L226 E227 T231 V232 V233 F294	A225-V229 WeakPolarHBondContact O-CG2 3.31Å; A225-V229 PolarHBondContact O-N 3.15Å; L226-V229 WeakPolarHBondContact O-CB 3.5Å; L226-V229 PolarHBondContact O-N 3.43Å; L226-V229 VanDerWaalsContact O-N 3.1Å; E227-V229 PolarHBondContact O-N 2.88Å; V229-T231 PolarHBondContact O-N 3.22Å; V229-V232 WeakPolarHBondContact O-CA 3.3Å; V229-V232 PolarHBondContact O-N 3.24Å; V229-V233 WeakPolarHBondContact O-CG2 3.48Å; V229-V233 PolarHBondContact O-N 3.02Å; V229-F294 HydrophobicContact CG1-CZ 4.35Å; V229-F294 HydrophobicContact CG2-CE1 4.44Å; V229-F294 HydrophobicContact CG2-CE2 4.24Å; V229-F294 HydrophobicContact CG2-CZ 3.52Å
230	K	64	Low	64.9	Low	5 Å²	5	66.6 Å²	66.6	2%	0.022	37%	0.369	C	S	.	.	H	α-helix	trans	-54.2	-45.2	173.5	-64.6	177.8	-163.2	172.8	0	110.7	D206 L226 E227 V232 V233 W234 V241 N244 L246	D206-K230 WeakPolarHBondContact OD1-CE 3.4Å; D206-K230 IonicContact OD1-NZ 2.78Å; D206-K230 PolarHBondContact OD1-NZ 3.14Å; D206-K230 IonicContact OD2-NZ 3.43Å; D206-K230 PolarHBondContact OD2-NZ 2.94Å; L226-K230 PolarHBondContact O-N 3.18Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.43Å; E227-K230 IonicContact OE1-NZ 3.26Å; E227-K230 PolarHBondContact OE1-NZ 2.96Å; K230-V232 VanDerWaalsContact C-N 3.29Å; K230-V232 PolarHBondContact O-N 3.43Å; K230-V233 PolarHBondContact O-N 3.2Å; K230-V233 VanDerWaalsContact O-N 3.12Å; K230-W234 WeakPolarHBondContact O-CB 3.33Å; K230-W234 PolarHBondContact O-N 2.84Å; K230-V241 HydrophobicContact CB-CG1 4.33Å; K230-V241 HydrophobicContact CB-CG2 4.26Å; K230-V241 HydrophobicContact CG-CG1 4.48Å; K230-V241 WeakPolarHBondContact O-CG2 3.35Å; K230-N244 WeakPolarHBondContact CD-O 3.49Å; K230-N244 WeakPolarHBondContact CE-O 3.38Å; K230-N244 PolarHBondContact NZ-ND2 3.18Å; K230-N244 VanDerWaalsContact NZ-ND2 3.13Å; K230-N244 PolarHBondContact NZ-O 2.98Å; K230-L246 HydrophobicContact CG-CD2 4.21Å
231	T	67.6	Low	65.2	Low	54 Å²	54	63.7 Å²	63.7	33%	0.331	35%	0.35	S	S	.	.	H	α-helix	trans	-58.3	-38.3	176	-66.6	0	0	0	0	112.6	E227 V229 K235	E227-T231 WeakPolarHBondContact O-CB 3.36Å; E227-T231 PolarHBondContact O-N 3.15Å; E227-T231 PolarHBondContact O-OG1 2.66Å; V229-T231 PolarHBondContact O-N 3.22Å; T231-K235 HydrophobicContact CG2-CD 4.03Å; T231-K235 WeakPolarHBondContact O-CB 3.33Å; T231-K235 VanDerWaalsContact O-CD 3.31Å; T231-K235 WeakPolarHBondContact O-CD 3.49Å; T231-K235 WeakPolarHBondContact O-CG 3.38Å; T231-K235 PolarHBondContact O-N 3.16Å
232	V	58.5	Low	65.8	Low	66 Å²	66	66.9 Å²	66.9	40%	0.4	36%	0.364	S	S	.	.	H	α-helix	trans	-71.9	-40.9	175.1	169.7	0	0	0	0	111.3	D228 V229 K230 N236	D228-V232 WeakPolarHBondContact O-CG2 3.41Å; D228-V232 PolarHBondContact O-N 2.88Å; V229-V232 WeakPolarHBondContact O-CA 3.3Å; V229-V232 PolarHBondContact O-N 3.24Å; K230-V232 VanDerWaalsContact C-N 3.29Å; K230-V232 PolarHBondContact O-N 3.43Å; V232-N236 PolarHBondContact O-N 2.99Å; V232-N236 PolarHBondContact O-ND2 3.08Å
233	V	55.9	Low	65.9	Low	31 Å²	31	70.7 Å²	70.7	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-53.2	177.8	175.1	0	0	0	0	110.4	V229 K230 K235 N236 T237 G240 V241 L246	V229-V233 WeakPolarHBondContact O-CG2 3.48Å; V229-V233 PolarHBondContact O-N 3.02Å; K230-V233 PolarHBondContact O-N 3.2Å; K230-V233 VanDerWaalsContact O-N 3.12Å; V233-K235 VanDerWaalsContact C-N 3.27Å; V233-K235 PolarHBondContact O-N 3.49Å; V233-N236 PolarHBondContact O-N 3.42Å; V233-T237 PolarHBondContact O-N 3.43Å; V233-G240 WeakPolarHBondContact CG1-O 3.46Å; V233-V241 HydrophobicContact CB-CG2 4.03Å; V233-V241 HydrophobicContact CG1-CG2 3.97Å; V233-L246 HydrophobicContact CB-CD2 4.15Å; V233-L246 HydrophobicContact CG1-CD2 4.23Å; V233-L246 HydrophobicContact CG2-CD2 4.01Å
234	W	66.1	Low	65.8	Low	159 Å²	159	70 Å²	70	60%	0.602	37%	0.366	S	S	*	.	H	α-helix	trans	-53.9	-39.8	177.4	-179.9	-97.2	0	0	0	113.4	K230 N236 V241	K230-W234 WeakPolarHBondContact O-CB 3.33Å; K230-W234 PolarHBondContact O-N 2.84Å; W234-N236 VanDerWaalsContact C-N 3.26Å; W234-N236 PolarHBondContact O-N 3.09Å; W234-V241 HydrophobicContact CB-CG2 3.94Å; W234-V241 HydrophobicContact CE3-CB 4.02Å; W234-V241 WeakPolarHBondContact CZ3-O 3.49Å
235	K	64.3	Low	65.8	Low	157 Å²	157	63.9 Å²	63.9	68%	0.683	34%	0.338	S	S	*	.	H	α-helix	trans	-69.8	-18.2	178.5	-78.2	171.4	-176.9	165.9	0	114.3	T231 V233	T231-K235 HydrophobicContact CG2-CD 4.03Å; T231-K235 WeakPolarHBondContact O-CB 3.33Å; T231-K235 VanDerWaalsContact O-CD 3.31Å; T231-K235 WeakPolarHBondContact O-CD 3.49Å; T231-K235 WeakPolarHBondContact O-CG 3.38Å; T231-K235 PolarHBondContact O-N 3.16Å; V233-K235 VanDerWaalsContact C-N 3.27Å; V233-K235 PolarHBondContact O-N 3.49Å
236	N	53.6	Low	66.2	Low	89 Å²	89	63.7 Å²	63.7	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-109.5	-26.6	179.7	-65.9	-64.9	0	0	0	112.9	V232 V233 W234	V232-N236 PolarHBondContact O-N 2.99Å; V232-N236 PolarHBondContact O-ND2 3.08Å; V233-N236 PolarHBondContact O-N 3.42Å; W234-N236 VanDerWaalsContact C-N 3.26Å; W234-N236 PolarHBondContact O-N 3.09Å
237	T	58	Low	66.5	Low	22 Å²	22	64.2 Å²	64.2	14%	0.135	34%	0.335	C	S	.	.			trans	-141.3	109.2	-171.5	-43.5	0	0	0	0	109.4	V233 D239 G240 N249	V233-T237 PolarHBondContact O-N 3.43Å; T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 WeakPolarHBondContact CG2-OD1 3.39Å; T237-D239 PolarHBondContact O-N 3.49Å; T237-G240 PolarHBondContact O-N 2.76Å; T237-G240 VanDerWaalsContact O-N 3.07Å; T237-N249 WeakPolarHBondContact CG2-O 3.03Å
238	S	61.5	Low	66.1	Low	106 Å²	106	62.1 Å²	62.1	74%	0.741	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.1	-172	49.6	0	0	0	0	114.9
239	D	68.5	Low	65.9	Low	69 Å²	69	61.5 Å²	61.5	37%	0.369	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	13.8	173.9	64.5	-31.6	0	0	0	112.3	T237 T247 N249	T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 WeakPolarHBondContact CG2-OD1 3.39Å; T237-D239 PolarHBondContact O-N 3.49Å; D239-T247 WeakPolarHBondContact O-CG2 3.38Å; D239-T247 PolarHBondContact O-OG1 2.99Å; D239-N249 WeakPolarHBondContact OD2-CB 3.45Å; D239-N249 PolarHBondContact OD2-ND2 2.9Å
240	G	62.5	Low	65.4	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-86.6	-14.3	-174.8	0	0	0	0	0	116.4	V233 T237 T247	V233-G240 WeakPolarHBondContact CG1-O 3.46Å; T237-G240 PolarHBondContact O-N 2.76Å; T237-G240 VanDerWaalsContact O-N 3.07Å; G240-T247 WeakPolarHBondContact CA-OG1 3.24Å; G240-T247 PolarHBondContact O-N 3.27Å; G240-T247 VanDerWaalsContact O-N 3.13Å
241	V	74.1	Confident	64.3	Low	18 Å²	18	65.7 Å²	65.7	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131	172.3	-168.8	0	0	0	0	106.9	K230 V233 W234 G245 L246	K230-V241 HydrophobicContact CB-CG1 4.33Å; K230-V241 HydrophobicContact CB-CG2 4.26Å; K230-V241 HydrophobicContact CG-CG1 4.48Å; K230-V241 WeakPolarHBondContact O-CG2 3.35Å; V233-V241 HydrophobicContact CB-CG2 4.03Å; V233-V241 HydrophobicContact CG1-CG2 3.97Å; W234-V241 HydrophobicContact CB-CG2 3.94Å; W234-V241 HydrophobicContact CE3-CB 4.02Å; W234-V241 WeakPolarHBondContact CZ3-O 3.49Å; V241-G245 VanDerWaalsContact CA-O 3.29Å; V241-G245 WeakPolarHBondContact CA-O 3.33Å; V241-G245 WeakPolarHBondContact CG1-O 3.42Å; V241-L246 HydrophobicContact CG2-CD2 4.11Å
242	Q	75.6	Confident	62.7	Low	109 Å²	109	66.8 Å²	66.8	51%	0.509	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138.4	179.6	-169.1	166.5	2.3	0	0	108	I203 N244 G245 T247	I203-Q242 HydrophobicContact CD1-CB 4.09Å; I203-Q242 HydrophobicContact CD1-CG 4.17Å; Q242-N244 PolarHBondContact O-N 2.71Å; Q242-G245 PolarHBondContact N-O 2.86Å; Q242-G245 PolarHBondContact O-N 3.16Å; Q242-T247 HydrophobicContact CB-CG2 3.52Å
243	D	74.9	Confident	61.5	Low	141 Å²	141	71.7 Å²	71.7	75%	0.754	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	37.2	-179.7	-55.6	-43	0	0	0	114.6	I203 G245	I203-D243 HydrophobicContact CD1-CB 4.22Å; D243-G245 VanDerWaalsContact C-N 3.26Å; D243-G245 PolarHBondContact O-N 3.21Å
244	N	76.1	Confident	60.5	Low	90 Å²	90	75.2 Å²	75.2	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	9.5	-175.1	-154.9	43.8	0	0	0	116.8	K230 Q242	K230-N244 WeakPolarHBondContact CD-O 3.49Å; K230-N244 WeakPolarHBondContact CE-O 3.38Å; K230-N244 PolarHBondContact NZ-ND2 3.18Å; K230-N244 VanDerWaalsContact NZ-ND2 3.13Å; K230-N244 PolarHBondContact NZ-O 2.98Å; Q242-N244 PolarHBondContact O-N 2.71Å
245	G	72.1	Confident	59.1	Low	2 Å²	2	72.5 Å²	72.5	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	171.7	171	0	0	0	0	0	113.7	I203 L204 V241 Q242 D243	I203-G245 VanDerWaalsContact CG2-C 3.42Å; I203-G245 VanDerWaalsContact CG2-CA 3.43Å; L204-G245 CarbonylContact O-C 3.55Å; L204-G245 WeakPolarHBondContact O-CA 3.49Å; V241-G245 VanDerWaalsContact CA-O 3.29Å; V241-G245 WeakPolarHBondContact CA-O 3.33Å; V241-G245 WeakPolarHBondContact CG1-O 3.42Å; Q242-G245 PolarHBondContact N-O 2.86Å; Q242-G245 PolarHBondContact O-N 3.16Å; D243-G245 VanDerWaalsContact C-N 3.26Å; D243-G245 PolarHBondContact O-N 3.21Å
246	L	70.6	Confident	57.5	Low	29 Å²	29	68.9 Å²	68.9	15%	0.152	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.2	-177.8	-70.4	178.8	0	0	0	111.8	F193 I203 L204 L209 K230 V233 V241	F193-L246 WeakPolarHBondContact CE2-O 3.21Å; I203-L246 CarbonylContact C-O 3.49Å; L204-L246 HydrophobicContact CB-CB 4.48Å; L204-L246 PolarHBondContact N-O 3.29Å; L204-L246 PolarHBondContact O-N 2.94Å; L209-L246 HydrophobicContact CD1-CB 4.33Å; L209-L246 HydrophobicContact CD1-CD1 3.77Å; L209-L246 HydrophobicContact CD1-CG 3.9Å; L209-L246 HydrophobicContact CD2-CD1 3.93Å; K230-L246 HydrophobicContact CG-CD2 4.21Å; V233-L246 HydrophobicContact CB-CD2 4.15Å; V233-L246 HydrophobicContact CG1-CD2 4.23Å; V233-L246 HydrophobicContact CG2-CD2 4.01Å; V241-L246 HydrophobicContact CG2-CD2 4.11Å
247	T	73.3	Confident	56.1	Low	17 Å²	17	68.2 Å²	68.2	10%	0.104	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	160.6	179	79.4	0	0	0	0	112.4	F193 D239 G240 Q242 N249 G250	F193-T247 VanDerWaalsContact CE2-C 3.47Å; D239-T247 WeakPolarHBondContact O-CG2 3.38Å; D239-T247 PolarHBondContact O-OG1 2.99Å; G240-T247 WeakPolarHBondContact CA-OG1 3.24Å; G240-T247 PolarHBondContact O-N 3.27Å; G240-T247 VanDerWaalsContact O-N 3.13Å; Q242-T247 HydrophobicContact CB-CG2 3.52Å; T247-N249 PolarHBondContact O-N 3.1Å; T247-N249 PolarHBondContact OG1-N 3.06Å; T247-G250 PolarHBondContact O-N 3.23Å; T247-G250 PolarHBondContact OG1-N 2.86Å
248	L	64.4	Low	54.5	Low	21 Å²	21	77 Å²	77	11%	0.11	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29.7	172.1	-177.4	61.5	0	0	0	112.9	F193 Y194 G250 R251	F193-L248 HydrophobicContact CB-CD1 3.83Å; F193-L248 HydrophobicContact CD1-CB 4.06Å; F193-L248 HydrophobicContact CD1-CD1 4.22Å; F193-L248 HydrophobicContact CD2-CB 4.25Å; F193-L248 HydrophobicContact CD2-CD1 4.14Å; F193-L248 HydrophobicContact CE1-CB 4Å; F193-L248 HydrophobicContact CE2-CB 4.17Å; F193-L248 VanDerWaalsContact CE2-N 3.29Å; F193-L248 HydrophobicContact CG-CB 4.21Å; F193-L248 HydrophobicContact CG-CD1 3.8Å; F193-L248 HydrophobicContact CZ-CB 4.06Å; F193-L248 VanDerWaalsContact CZ-N 3.33Å; Y194-L248 HydrophobicContact CE1-CD2 4.35Å; Y194-L248 HydrophobicContact CE2-CD2 4.2Å; Y194-L248 WeakPolarHBondContact OH-CD2 3.44Å; L248-G250 VanDerWaalsContact C-N 3.34Å; L248-R251 PolarHBondContact O-N 3.28Å
249	N	61.4	Low	52.9	Low	73 Å²	73	81.5 Å²	81.5	39%	0.39	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-78.5	-16.3	-179.7	-76.4	4.4	0	0	0	113.5	T237 D239 T247 R251 K252	T237-N249 WeakPolarHBondContact CG2-O 3.03Å; D239-N249 WeakPolarHBondContact OD2-CB 3.45Å; D239-N249 PolarHBondContact OD2-ND2 2.9Å; T247-N249 PolarHBondContact O-N 3.1Å; T247-N249 PolarHBondContact OG1-N 3.06Å; N249-R251 PolarHBondContact O-N 3.42Å; N249-K252 PolarHBondContact O-N 3.03Å
250	G	50.3	Low	50.8	Low	23 Å²	23	90 Å²	90	24%	0.237	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-54.4	-11.9	168.3	0	0	0	0	0	114.1	T247 L248	T247-G250 PolarHBondContact O-N 3.23Å; T247-G250 PolarHBondContact OG1-N 2.86Å; L248-G250 VanDerWaalsContact C-N 3.34Å
251	R	40.5	Very low	49.2	Very low	103 Å²	103	95 Å²	95	39%	0.389	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-104.7	-6.7	177.1	-149.6	171.5	-159	139.4	7.4	115.3	L181 L189 L248 N249	L181-R251 HydrophobicContact CD1-CG 4.18Å; L189-R251 VanDerWaalsContact CD2-NH2 3.32Å; L248-R251 PolarHBondContact O-N 3.28Å; N249-R251 PolarHBondContact O-N 3.42Å
252	K	35.6	Very low	46.8	Very low	77 Å²	77	99.1 Å²	99.1	34%	0.335	55%	0.553	S	S	.	*			trans	-138.6	69.8	-165.3	-66.6	-180	-178.5	167.1	0	114	S190 N249	S190-K252 PolarHBondContact OG-NZ 2.88Å; N249-K252 PolarHBondContact O-N 3.03Å
253	H	32.7	Very low	44.3	Very low	169 Å²	169	98.1 Å²	98.1	78%	0.782	57%	0.571	S	S	*	*				-165.4	162.1	122.2	-117	-91.4	0	0	0	114.1
254	R	34.2	Very low	41.9	Very low	106 Å²	106	95.1 Å²	95.1	40%	0.4	57%	0.574	S	S	.	*			trans	-94.9	154.5	-160.6	-169.2	-172.8	-177.8	160.5	-12.1	112.7	D178 Q180 G256	D178-R254 PolarHBondContact O-NE 3.03Å; D178-R254 PolarHBondContact O-NH1 3.3Å; D178-R254 PolarHBondContact O-NH2 3.14Å; D178-R254 IonicContact OD1-CZ 3.05Å; D178-R254 IonicContact OD1-NH1 3.92Å; D178-R254 PolarHBondContact OD1-NH1 3.25Å; D178-R254 IonicContact OD1-NH2 2.91Å; D178-R254 PolarHBondContact OD1-NH2 3.11Å; Q180-R254 HydrophobicContact CG-CB 4.31Å; Q180-R254 HydrophobicContact CG-CG 4.01Å; R254-G256 PolarHBondContact O-N 2.79Å
255	A	36.4	Very low	39.4	Very low	102 Å²	102	100.3 Å²	100.3	84%	0.843	59%	0.592	S	S	*	*	S	Bend	trans	-55.8	111.8	162	0	0	0	0	0	110.4
256	G	30.6	Very low	37.2	Very low	80 Å²	80	109 Å²	109	83%	0.825	63%	0.631	S	S	*	*			trans	175.5	38.5	-171	0	0	0	0	0	114.6	R254	R254-G256 PolarHBondContact O-N 2.79Å
257	G	24.6	Very low	34.9	Very low	75 Å²	75	119 Å²	119	77%	0.773	67%	0.667	S	S	*	*			trans	-131.8	115.3	-179.7	0	0	0	0	0	111.3
258	K	25.2	Very low	32.6	Very low	208 Å²	208	122.9 Å²	122.9	90%	0.904	70%	0.702	S	S	*	*			trans	-62	139.7	-174.3	-71.3	169.1	176.2	171.2	0	112.3	R260	K258-R260 PolarHBondContact O-N 3.17Å
259	H	27.2	Very low	30.7	Very low	199 Å²	199	126.9 Å²	126.9	92%	0.921	74%	0.737	S	S	*	*			trans	-51.9	124.8	159.3	-87.5	-83.1	0	0	0	110.4
260	R	23.9	Very low	28.8	Very low	247 Å²	247	127.2 Å²	127.2	93%	0.932	76%	0.758	S	S	*	*			trans	-130	126.2	151.8	-113.2	-176.4	174.8	-175.9	-2.3	108.5	K258	K258-R260 PolarHBondContact O-N 3.17Å
261	A	29.2	Very low	27.5	Very low	107 Å²	107	130 Å²	130	88%	0.884	79%	0.787	S	S	*	*			trans	-82.9	129.7	-175	0	0	0	0	0	111.5
262	A	24.6	Very low	26.7	Very low	104 Å²	104	134.2 Å²	134.2	86%	0.86	81%	0.808	S	S	*	*			trans	-150.5	133.1	147.9	0	0	0	0	0	105.2
263	G	23.5	Very low	26.1	Very low	87 Å²	87	137.9 Å²	137.9	90%	0.897	83%	0.826	S	S	*	*			cis	115.6	57.1	21.7	0	0	0	0	0	109.4
264	G	23.3	Very low	25.6	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	83%	0.83	S	S	*	*			trans	-158.8	113.1	-175.9	0	0	0	0	0	111.5
265	K	24	Very low	25	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	85%	0.852	S	S	*	*			trans	-84.3	149.5	176.3	-66.4	167.9	177.1	169.2	0	110.1
266	H	26.6	Very low	24.3	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	85%	0.853	S	S	*	*			trans	171.4	112.4	140.3	-92.4	-69	0	0	0	105.6
267	R	22.5	Very low	23.9	Very low	239 Å²	239	140.8 Å²	140.8	90%	0.902	85%	0.854	S	S	*	*				40.7	118.3	58.2	-80.1	-168.4	176.1	-170.6	-0.4	111.6
268	A	24.9	Very low	23.7	Very low	100 Å²	100	141 Å²	141	83%	0.826	86%	0.856	S	S	*	*			cis	-155.3	179	-4.4	0	0	0	0	0	107.5
269	A	23.8	Very low	23.7	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	85%	0.85	S	S	*	*			cis	-145.6	-163.5	11.8	0	0	0	0	0	108.8
270	G	21.6	Very low	23.5	Very low	81 Å²	81	139.4 Å²	139.4	84%	0.835	85%	0.849	S	S	*	*			cis	147.6	79.2	2.6	0	0	0	0	0	111.9
271	G	23.3	Very low	23.7	Very low	82 Å²	82	136.3 Å²	136.3	85%	0.845	84%	0.838	S	S	*	*			trans	-150.5	118	177.9	0	0	0	0	0	111.9
272	K	22.8	Very low	23.6	Very low	191 Å²	191	133.8 Å²	133.8	83%	0.83	82%	0.822	S	S	*	*			trans	-91.3	136.3	-177.7	-65.3	172.1	176.6	173.3	0	110.5
273	H	23	Very low	23.6	Very low	154 Å²	154	132 Å²	132	71%	0.713	81%	0.808	S	S	*	*				178.1	134.1	100.6	-101.7	-81.5	0	0	0	115.1
274	R	21.7	Very low	23.8	Very low	226 Å²	226	131 Å²	131	85%	0.853	80%	0.797	S	S	*	*			trans	55.5	94	148.9	-74.4	178.4	171.9	169.5	-4.2	121.5
275	A	21.8	Very low	24	Very low	105 Å²	105	128.7 Å²	128.7	87%	0.868	77%	0.773	S	S	*	*				57.3	103.5	112.2	0	0	0	0	0	120.8
276	A	22.2	Very low	24.2	Very low	104 Å²	104	124.6 Å²	124.6	86%	0.86	76%	0.756	S	S	*	*			trans	-136.2	142.5	139.9	0	0	0	0	0	108.7	G278	A276-G278 PolarHBondContact O-N 3.36Å
277	G	21.9	Very low	24.3	Very low	83 Å²	83	121 Å²	121	86%	0.856	74%	0.739	S	S	*	*			trans	-63.9	127.5	-163	0	0	0	0	0	115.2	K279	G277-K279 PolarHBondContact O-N 2.87Å
278	G	21.1	Very low	24.6	Very low	79 Å²	79	113 Å²	113	81%	0.814	71%	0.709	S	S	*	*			trans	-70.8	123.9	175.4	0	0	0	0	0	112.4	A276	A276-G278 PolarHBondContact O-N 3.36Å
279	K	25.5	Very low	24.8	Very low	176 Å²	176	115.2 Å²	115.2	77%	0.765	70%	0.696	S	S	*	*			trans	-97.7	106.5	159	-80.8	-174.2	174.5	179.3	0	109.1	G277 R281	G277-K279 PolarHBondContact O-N 2.87Å; K279-R281 PolarHBondContact O-N 2.95Å
280	H	22.9	Very low	25	Very low	198 Å²	198	113.2 Å²	113.2	92%	0.917	67%	0.673	S	S	*	*			trans	-53.7	121.6	162.4	-86.4	-98.4	0	0	0	108.5
281	R	28.4	Very low	25.3	Very low	181 Å²	181	112.7 Å²	112.7	68%	0.683	65%	0.65	S	S	*	*			trans	-123.8	101	175.8	-77.7	-176.1	169.5	176.4	-2.9	108.4	K279	K279-R281 PolarHBondContact O-N 2.95Å
282	G	25.8	Very low	25.6	Very low	54 Å²	54	112.2 Å²	112.2	56%	0.557	63%	0.627	S	S	*	*			trans	-53.3	140.7	-179.2	0	0	0	0	0	112.9	G284	G282-G284 PolarHBondContact O-N 3.48Å
283	A	26	Very low	25.8	Very low	68 Å²	68	113.8 Å²	113.8	56%	0.562	63%	0.628	S	S	*	*	S	Bend	trans	-68.1	-29.4	-166.9	0	0	0	0	0	114.6	G285 K286	A283-G285 PolarHBondContact O-N 3.36Å; A283-K286 PolarHBondContact O-N 3.2Å
284	G	26.5	Very low	26	Very low	66 Å²	66	109.4 Å²	109.4	68%	0.68	61%	0.607	S	S	*	*	H	α-helix	trans	-61.5	-41.6	-177.6	0	0	0	0	0	113.7	G282 K286	G282-G284 PolarHBondContact O-N 3.48Å; G284-K286 PolarHBondContact O-N 3.1Å
285	G	28	Very low	26.3	Very low	29 Å²	29	100.6 Å²	100.6	30%	0.299	59%	0.586	S	S	.	*	H	α-helix	trans	-74	-2.6	-178.8	0	0	0	0	0	115.4	A283	A283-G285 PolarHBondContact O-N 3.36Å
286	K	28.6	Very low	26.7	Very low	113 Å²	113	97.7 Å²	97.7	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-85.7	-37.7	177.7	-73.9	-179.3	178.1	177.4	0	112.7	A283 G284 R289 V290	A283-K286 PolarHBondContact O-N 3.2Å; G284-K286 PolarHBondContact O-N 3.1Å; K286-R289 PolarHBondContact O-N 3.46Å; K286-V290 WeakPolarHBondContact O-CG2 3.27Å; K286-V290 PolarHBondContact O-N 3.47Å
287	H	28.9	Very low	26.9	Very low	109 Å²	109	95.3 Å²	95.3	51%	0.505	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-50.4	-174.5	-85.7	80.1	0	0	0	112.9	R289 V290 L291	H287-R289 VanDerWaalsContact C-N 3.3Å; H287-R289 PolarHBondContact O-N 3.14Å; H287-V290 PolarHBondContact O-N 3.04Å; H287-L291 PolarHBondContact O-N 3.06Å
288	R	29.1	Very low	27.1	Very low	70 Å²	70	100.6 Å²	100.6	26%	0.264	53%	0.53	S	S	.	.	H	α-helix	trans	-60.3	-38	173.9	-82.8	-170.7	170.1	177.8	-1.2	112.8	I141 E142 V290 L291 M292	I141-R288 PolarHBondContact O-NH1 3.14Å; E142-R288 PolarHBondContact O-NH1 2.69Å; E142-R288 IonicContact OE2-CZ 2.69Å; E142-R288 IonicContact OE2-NH1 2.75Å; R288-V290 VanDerWaalsContact C-N 3.32Å; R288-V290 PolarHBondContact O-N 3.21Å; R288-L291 PolarHBondContact O-N 3.21Å; R288-M292 PolarHBondContact O-N 2.79Å; R288-M292 VanDerWaalsContact O-N 3.16Å
289	R	28.2	Very low	27.5	Very low	147 Å²	147	102.6 Å²	102.6	56%	0.555	52%	0.517	S	S	*	.	H	α-helix	trans	-70.8	-25.8	179.2	-128.6	-178.1	-71	-150	-9.2	113.3	K286 H287 R293	K286-R289 PolarHBondContact O-N 3.46Å; H287-R289 VanDerWaalsContact C-N 3.3Å; H287-R289 PolarHBondContact O-N 3.14Å; R289-R293 VanDerWaalsContact O-CB 3.26Å; R289-R293 WeakPolarHBondContact O-CB 3.4Å; R289-R293 PolarHBondContact O-N 3.2Å
290	V	27.7	Very low	27.6	Very low	62 Å²	62	99.5 Å²	99.5	38%	0.376	51%	0.508	S	S	.	.	H	α-helix	trans	-70.9	-50.7	171.9	165.7	0	0	0	0	110	K286 H287 R288 M292 R293 F294	K286-V290 WeakPolarHBondContact O-CG2 3.27Å; K286-V290 PolarHBondContact O-N 3.47Å; H287-V290 PolarHBondContact O-N 3.04Å; R288-V290 VanDerWaalsContact C-N 3.32Å; R288-V290 PolarHBondContact O-N 3.21Å; V290-M292 VanDerWaalsContact C-N 3.33Å; V290-M292 PolarHBondContact O-N 3.33Å; V290-R293 PolarHBondContact O-N 3.26Å; V290-F294 HydrophobicContact CG1-CD2 3.76Å; V290-F294 HydrophobicContact CG1-CE2 3.99Å; V290-F294 VanDerWaalsContact O-CD2 3.3Å; V290-F294 WeakPolarHBondContact O-CD2 3.39Å; V290-F294 PolarHBondContact O-N 3.04Å
291	L	28	Very low	27.9	Very low	69 Å²	69	95.6 Å²	95.6	36%	0.361	49%	0.491	S	S	.	.	H	α-helix	trans	-55.2	-45.4	176.9	-88.7	117.7	0	0	0	112.8	H287 R288 R293 F294	H287-L291 PolarHBondContact O-N 3.06Å; R288-L291 PolarHBondContact O-N 3.21Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.38Å; L291-F294 PolarHBondContact O-N 3.44Å
292	M	28.8	Very low	27.9	Very low	73 Å²	73	90.9 Å²	90.9	36%	0.36	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-33.5	175.9	-77.1	-79.9	-169.8	0	0	113.6	R288 V290	R288-M292 PolarHBondContact O-N 2.79Å; R288-M292 VanDerWaalsContact O-N 3.16Å; V290-M292 VanDerWaalsContact C-N 3.33Å; V290-M292 PolarHBondContact O-N 3.33Å
293	R	27.9	Very low	28.2	Very low	224 Å²	224	96 Å²	96	85%	0.845	50%	0.495	S	S	*	.	H	α-helix	trans	-85.8	-11.2	-175.2	-162	169.8	-170.5	178.3	2.5	113.8	R289 V290 L291	R289-R293 VanDerWaalsContact O-CB 3.26Å; R289-R293 WeakPolarHBondContact O-CB 3.4Å; R289-R293 PolarHBondContact O-N 3.2Å; V290-R293 PolarHBondContact O-N 3.26Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.38Å
294	F	27.1	Very low	28.5	Very low	61 Å²	61	96.2 Å²	96.2	27%	0.268	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	9.3	179	-83.9	-70.1	0	0	0	114.9	F217 L221 V229 V290 L291 L296	F217-F294 WeakPolarHBondContact CZ-O 3.49Å; L221-F294 HydrophobicContact CD1-CE1 4.44Å; V229-F294 HydrophobicContact CG1-CZ 4.35Å; V229-F294 HydrophobicContact CG2-CE1 4.44Å; V229-F294 HydrophobicContact CG2-CE2 4.24Å; V229-F294 HydrophobicContact CG2-CZ 3.52Å; V290-F294 HydrophobicContact CG1-CD2 3.76Å; V290-F294 HydrophobicContact CG1-CE2 3.99Å; V290-F294 VanDerWaalsContact O-CD2 3.3Å; V290-F294 WeakPolarHBondContact O-CD2 3.39Å; V290-F294 PolarHBondContact O-N 3.04Å; L291-F294 PolarHBondContact O-N 3.44Å; F294-L296 PolarHBondContact O-N 3.03Å
295	G	27.6	Very low	28.5	Very low	41 Å²	41	98 Å²	98	42%	0.423	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	14.7	165.8	0	0	0	0	0	116.6	V297	G295-V297 PolarHBondContact O-N 3.01Å
296	L	30	Very low	28.5	Very low	44 Å²	44	100.1 Å²	100.1	23%	0.23	50%	0.497	C	S	.	.			trans	-73.9	48.4	-176.5	-72.6	172.1	0	0	0	113	F212 F294	F212-L296 HydrophobicContact CZ-CD2 4.28Å; F294-L296 PolarHBondContact O-N 3.03Å
297	V	27.5	Very low	28.7	Very low	55 Å²	55	98.7 Å²	98.7	33%	0.333	49%	0.494	S	S	.	.			trans	-131.8	39.1	-179.7	-145.1	0	0	0	0	113.8	H168 G295	H168-V297 HydrophobicContact CB-CB 4.19Å; H168-V297 HydrophobicContact CB-CG1 3.67Å; H168-V297 HydrophobicContact CB-CG2 4.2Å; H168-V297 VanDerWaalsContact CG-CG1 3.48Å; G295-V297 PolarHBondContact O-N 3.01Å
298	K	25.7	Very low	28.5	Very low	193 Å²	193	100 Å²	100	84%	0.839	50%	0.5	S	S	*	.			trans	-119.2	69.9	159.1	-78.5	-170.5	174.8	-178.4	0	110.4
299	F	29.2	Very low	28.5	Very low	122 Å²	122	102.1 Å²	102.1	54%	0.535	52%	0.523	S	S	.	.			trans	-139.5	118	164.7	-77	-72.3	0	0	0	108.4	I192 I304	I192-F299 HydrophobicContact CD1-CD2 4.39Å; I192-F299 HydrophobicContact CD1-CE1 4.33Å; I192-F299 HydrophobicContact CD1-CE2 3.7Å; I192-F299 HydrophobicContact CD1-CZ 3.67Å; I192-F299 HydrophobicContact CG1-CZ 4.37Å; F299-I304 HydrophobicContact CB-CD1 4.1Å
300	D	27.8	Very low	28.4	Very low	110 Å²	110	97.9 Å²	97.9	59%	0.588	52%	0.519	S	S	*	.			trans	-75.9	131.3	174.5	-165	-36.6	0	0	0	108.9	S302	D300-S302 PolarHBondContact O-N 3.49Å; D300-S302 PolarHBondContact OD1-N 3.07Å; D300-S302 VanDerWaalsContact OD1-N 3.1Å; D300-S302 PolarHBondContact OD1-OG 3.36Å
301	E	29.9	Very low	28.5	Very low	117 Å²	117	99.4 Å²	99.4	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-24.2	-178.1	-81	-170	120.9	0	0	112.8	P172 E303 I304	P172-E301 WeakPolarHBondContact CB-OE1 3.46Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.06Å; E301-I304 PolarHBondContact O-N 3.32Å; E301-I304 VanDerWaalsContact O-N 3.15Å
302	S	28.1	Very low	28.5	Very low	81 Å²	81	101.2 Å²	101.2	57%	0.566	53%	0.53	S	S	*	.	H	α-helix	trans	-65.2	-27.8	-173.6	55	0	0	0	0	114.4	D300	D300-S302 PolarHBondContact O-N 3.49Å; D300-S302 PolarHBondContact OD1-N 3.07Å; D300-S302 VanDerWaalsContact OD1-N 3.1Å; D300-S302 PolarHBondContact OD1-OG 3.36Å
303	E	32.3	Very low	28.3	Very low	163 Å²	163	105.1 Å²	105.1	76%	0.762	55%	0.545	S	S	*	.	H	α-helix	trans	-84.4	-23.6	175.2	-64.4	-166.1	148	0	0	113.4	E301	E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.06Å
304	I	32.1	Very low	28.3	Very low	71 Å²	71	97 Å²	97	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-84.5	-27.3	-169.4	-62.5	176.6	0	0	0	112.3	A188 F299 E301	A188-I304 HydrophobicContact CB-CG2 4.25Å; F299-I304 HydrophobicContact CB-CD1 4.1Å; E301-I304 PolarHBondContact O-N 3.32Å; E301-I304 VanDerWaalsContact O-N 3.15Å
305	C	26.8	Very low	28.2	Very low	105 Å²	105	98.6 Å²	98.6	71%	0.709	53%	0.527	S	S	*	.	S	Bend	trans	-82.8	-10.1	-175.9	-81.8	0	0	0	0	115.6	I307	C305-I307 VanDerWaalsContact C-N 3.35Å; C305-I307 PolarHBondContact O-N 3.42Å
306	S	26.4	Very low	28.1	Very low	73 Å²	73	103.4 Å²	103.4	51%	0.51	54%	0.54	S	S	.	.			trans	-92.5	35	-166.6	-61.3	0	0	0	0	115.4	K311	S306-K311 PolarHBondContact O-NZ 2.91Å
307	I	33	Very low	28	Very low	83 Å²	83	106 Å²	106	43%	0.426	56%	0.558	S	S	.	*			trans	-114.5	86.5	179.8	-50.9	179.8	0	0	0	110.5	C305 L312 Y349	C305-I307 VanDerWaalsContact C-N 3.35Å; C305-I307 PolarHBondContact O-N 3.42Å; I307-L312 HydrophobicContact CG2-CD1 4.27Å; I307-Y349 HydrophobicContact CD1-CE1 3.97Å; I307-Y349 HydrophobicContact CG1-CE1 4.35Å
308	E	25.9	Very low	28.1	Very low	136 Å²	136	105.5 Å²	105.5	64%	0.636	55%	0.553	S	S	*	*			trans	-67.2	144.6	162.7	-78.9	-167.7	136.5	0	0	111.1	A310 K311	E308-A310 HydrophobicContact CB-CB 4.37Å; E308-A310 PolarHBondContact O-N 3.47Å; E308-K311 PolarHBondContact O-N 3.21Å
309	P	28.1	Very low	28	Very low	115 Å²	115	104.1 Å²	104.1	75%	0.747	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-55.7	-22.4	171.8	-25.3	34.5	0	0	0	114.2	K311 L312	P309-K311 VanDerWaalsContact C-N 3.31Å; P309-K311 PolarHBondContact O-N 3.38Å; P309-L312 PolarHBondContact O-N 3.33Å
310	A	26.8	Very low	27.9	Very low	57 Å²	57	102.6 Å²	102.6	47%	0.471	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-62.5	-33.8	176	0	0	0	0	0	113.1	E308 L312 K313	E308-A310 HydrophobicContact CB-CB 4.37Å; E308-A310 PolarHBondContact O-N 3.47Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.47Å; A310-K313 WeakPolarHBondContact O-CB 3.4Å; A310-K313 PolarHBondContact O-N 2.93Å
311	K	29.2	Very low	28.1	Very low	94 Å²	94	100.5 Å²	100.5	41%	0.409	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-66.7	-27.7	179.1	-70.6	-172.2	170	-169.4	0	112.9	S306 E308 P309 K313 V314 E345	S306-K311 PolarHBondContact O-NZ 2.91Å; E308-K311 PolarHBondContact O-N 3.21Å; P309-K311 VanDerWaalsContact C-N 3.31Å; P309-K311 PolarHBondContact O-N 3.38Å; K311-K313 PolarHBondContact O-N 2.83Å; K311-V314 PolarHBondContact O-N 2.7Å; K311-E345 IonicContact NZ-OE1 3.21Å; K311-E345 PolarHBondContact NZ-OE1 2.88Å
312	L	27.5	Very low	28.3	Very low	107 Å²	107	96.7 Å²	96.7	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-14.5	176.3	-94.2	96.9	0	0	0	114.3	I307 P309 A310 V314 F315 M316	I307-L312 HydrophobicContact CG2-CD1 4.27Å; P309-L312 PolarHBondContact O-N 3.33Å; A310-L312 VanDerWaalsContact C-N 3.3Å; A310-L312 PolarHBondContact O-N 3.47Å; L312-V314 VanDerWaalsContact C-N 3.26Å; L312-V314 PolarHBondContact O-N 2.88Å; L312-F315 WeakPolarHBondContact O-CB 3.31Å; L312-F315 PolarHBondContact O-N 2.74Å; L312-F315 VanDerWaalsContact O-N 3.08Å; L312-M316 PolarHBondContact O-N 2.95Å; L312-M316 VanDerWaalsContact O-N 3.15Å
313	K	24.9	Very low	28.7	Very low	156 Å²	156	99.5 Å²	99.5	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-61	-33.7	177.5	-76.3	-177.4	173.5	178.2	0	112.6	A310 K311 F315 M316 V317	A310-K313 WeakPolarHBondContact O-CB 3.4Å; A310-K313 PolarHBondContact O-N 2.93Å; K311-K313 PolarHBondContact O-N 2.83Å; K313-F315 VanDerWaalsContact C-N 3.32Å; K313-F315 PolarHBondContact O-N 2.88Å; K313-M316 PolarHBondContact O-N 2.88Å; K313-V317 WeakPolarHBondContact O-CG2 3.48Å; K313-V317 PolarHBondContact O-N 2.96Å; K313-V317 VanDerWaalsContact O-N 3.08Å
314	V	28	Very low	29.1	Very low	52 Å²	52	95.5 Å²	95.5	32%	0.315	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-35.2	175.9	-175.7	0	0	0	0	111.2	K311 L312 M316 V317 L318	K311-V314 PolarHBondContact O-N 2.7Å; L312-V314 VanDerWaalsContact C-N 3.26Å; L312-V314 PolarHBondContact O-N 2.88Å; V314-M316 VanDerWaalsContact C-N 3.32Å; V314-M316 PolarHBondContact O-N 3.46Å; V314-V317 WeakPolarHBondContact O-CB 3.39Å; V314-V317 PolarHBondContact O-N 3.29Å; V314-V317 VanDerWaalsContact O-N 3.11Å; V314-L318 PolarHBondContact O-N 2.74Å
315	F	26.5	Very low	29.3	Very low	95 Å²	95	96.1 Å²	96.1	42%	0.417	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-32.6	175.3	-144	-89.8	0	0	0	112.2	L312 K313 K319	L312-F315 WeakPolarHBondContact O-CB 3.31Å; L312-F315 PolarHBondContact O-N 2.74Å; L312-F315 VanDerWaalsContact O-N 3.08Å; K313-F315 VanDerWaalsContact C-N 3.32Å; K313-F315 PolarHBondContact O-N 2.88Å; F315-K319 PolarHBondContact O-N 3.25Å; F315-K319 VanDerWaalsContact O-N 3.09Å
316	M	24.3	Very low	30.5	Very low	143 Å²	143	97.4 Å²	97.4	70%	0.704	54%	0.539	S	S	*	.	H	α-helix	trans	-69	-35	168.4	-80.6	-174.1	73.1	0	0	112.9	L312 K313 V314 K319 S320	L312-M316 PolarHBondContact O-N 2.95Å; L312-M316 VanDerWaalsContact O-N 3.15Å; K313-M316 PolarHBondContact O-N 2.88Å; V314-M316 VanDerWaalsContact C-N 3.32Å; V314-M316 PolarHBondContact O-N 3.46Å; M316-K319 PolarHBondContact O-N 3.26Å; M316-S320 WeakPolarHBondContact O-CB 3.18Å; M316-S320 PolarHBondContact O-N 2.97Å
317	V	28.3	Very low	31.6	Very low	98 Å²	98	95.4 Å²	95.4	59%	0.594	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-42.9	175.6	173.7	0	0	0	0	111.3	K313 V314 S320	K313-V317 WeakPolarHBondContact O-CG2 3.48Å; K313-V317 PolarHBondContact O-N 2.96Å; K313-V317 VanDerWaalsContact O-N 3.08Å; V314-V317 WeakPolarHBondContact O-CB 3.39Å; V314-V317 PolarHBondContact O-N 3.29Å; V314-V317 VanDerWaalsContact O-N 3.11Å; V317-S320 PolarHBondContact O-N 3.3Å
318	L	28.7	Very low	32.3	Very low	45 Å²	45	94.5 Å²	94.5	24%	0.236	52%	0.523	C	S	.	.	H	α-helix	trans	-62.9	-44.6	173.1	-76.4	165.9	0	0	0	111.8	V314 S320 C322	V314-L318 PolarHBondContact O-N 2.74Å; L318-S320 VanDerWaalsContact C-N 3.33Å; L318-S320 PolarHBondContact O-N 3.12Å; L318-C322 PolarHBondContact O-N 3.09Å; L318-C322 PolarHBondContact O-SG 3.25Å
319	K	24.3	Very low	33.6	Very low	164 Å²	164	90.5 Å²	90.5	71%	0.713	51%	0.514	S	S	*	.	H	α-helix	trans	-66.4	-28.3	175.9	-87.6	-171.6	171.4	-176.7	0	114.6	F315 M316	F315-K319 PolarHBondContact O-N 3.25Å; F315-K319 VanDerWaalsContact O-N 3.09Å; M316-K319 PolarHBondContact O-N 3.26Å
320	S	28.1	Very low	34.8	Very low	90 Å²	90	85.3 Å²	85.3	63%	0.629	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.5	-174.1	-158.9	0	0	0	0	114.7	M316 V317 L318	M316-S320 WeakPolarHBondContact O-CB 3.18Å; M316-S320 PolarHBondContact O-N 2.97Å; V317-S320 PolarHBondContact O-N 3.3Å; L318-S320 VanDerWaalsContact C-N 3.33Å; L318-S320 PolarHBondContact O-N 3.12Å
321	C	31.5	Very low	36	Very low	66 Å²	66	83.2 Å²	83.2	45%	0.446	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-18.3	177.5	-81.7	0	0	0	0	115.3
322	C	32.8	Very low	37.2	Very low	36 Å²	36	81.4 Å²	81.4	24%	0.243	46%	0.456	C	S	.	.			trans	-89.9	116.6	-174.2	-61.8	0	0	0	0	112.5	L318 S327 V328	L318-C322 PolarHBondContact O-N 3.09Å; L318-C322 PolarHBondContact O-SG 3.25Å; C322-S327 WeakPolarHBondContact CA-OG 3.35Å; C322-S327 WeakPolarHBondContact CB-OG 3.43Å; C322-S327 VanDerWaalsContact SG-C 3.59Å; C322-S327 PolarHBondContact SG-O 3.41Å; C322-V328 HydrophobicContact CB-CG2 3.67Å
323	V	36.6	Very low	38.8	Very low	140 Å²	140	81 Å²	81	85%	0.848	45%	0.447	S	S	*	.			trans	-106.7	-18.7	-178.8	-173	0	0	0	0	111.8	S327	V323-S327 PolarHBondContact N-OG 3.12Å; V323-S327 VanDerWaalsContact N-OG 3.09Å
324	N	41.9	Very low	40.6	Very low	79 Å²	79	74.7 Å²	74.7	42%	0.422	42%	0.421	S	S	.	.	S	Bend	trans	-144	170.1	-179.8	70.4	-2.5	0	0	0	112	E326 S327 V328	N324-E326 VanDerWaalsContact C-N 3.3Å; N324-E326 PolarHBondContact ND2-OE2 3.35Å; N324-E326 PolarHBondContact O-N 3.39Å; N324-S327 PolarHBondContact N-OG 3.39Å; N324-S327 PolarHBondContact O-N 3.12Å; N324-S327 PolarHBondContact O-OG 2.85Å; N324-S327 VanDerWaalsContact OD1-CB 3.25Å; N324-S327 WeakPolarHBondContact OD1-CB 3.49Å; N324-S327 PolarHBondContact OD1-N 2.97Å; N324-S327 PolarHBondContact OD1-OG 2.75Å; N324-V328 PolarHBondContact O-N 2.97Å
325	A	36.5	Very low	42.2	Very low	84 Å²	84	73.3 Å²	73.3	69%	0.694	41%	0.414	S	S	*	.	H	α-helix	trans	-60	-36.8	-178.2	0	0	0	0	0	113.5	S327 V328 A329	A325-S327 PolarHBondContact O-N 2.84Å; A325-V328 PolarHBondContact O-N 3.46Å; A325-A329 PolarHBondContact O-N 3.41Å
326	E	51.9	Low	43.8	Very low	132 Å²	132	70.4 Å²	70.4	62%	0.617	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-42.6	177.6	-64.7	164.3	163.9	0	0	111.9	N324 V328 A329 C330	N324-E326 VanDerWaalsContact C-N 3.3Å; N324-E326 PolarHBondContact ND2-OE2 3.35Å; N324-E326 PolarHBondContact O-N 3.39Å; E326-V328 VanDerWaalsContact C-N 3.31Å; E326-V328 PolarHBondContact O-N 3.26Å; E326-A329 PolarHBondContact O-N 3.48Å; E326-C330 WeakPolarHBondContact O-CB 3.43Å; E326-C330 PolarHBondContact O-N 3.49Å; E326-C330 PolarHBondContact O-SG 2.87Å
327	S	48.8	Very low	45.8	Very low	31 Å²	31	68.2 Å²	68.2	22%	0.217	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-33.4	177.1	63.8	0	0	0	0	112.9	C322 V323 N324 A325 G331	C322-S327 WeakPolarHBondContact CA-OG 3.35Å; C322-S327 WeakPolarHBondContact CB-OG 3.43Å; C322-S327 VanDerWaalsContact SG-C 3.59Å; C322-S327 PolarHBondContact SG-O 3.41Å; V323-S327 PolarHBondContact N-OG 3.12Å; V323-S327 VanDerWaalsContact N-OG 3.09Å; N324-S327 PolarHBondContact N-OG 3.39Å; N324-S327 PolarHBondContact O-N 3.12Å; N324-S327 PolarHBondContact O-OG 2.85Å; N324-S327 VanDerWaalsContact OD1-CB 3.25Å; N324-S327 WeakPolarHBondContact OD1-CB 3.49Å; N324-S327 PolarHBondContact OD1-N 2.97Å; N324-S327 PolarHBondContact OD1-OG 2.75Å; A325-S327 PolarHBondContact O-N 2.84Å; S327-G331 PolarHBondContact O-N 3.49Å
328	V	46.8	Very low	47.6	Very low	65 Å²	65	67.4 Å²	67.4	39%	0.394	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-46.3	172.7	-179.1	0	0	0	0	110.8	C322 N324 A325 E326 C330 G331 F332	C322-V328 HydrophobicContact CB-CG2 3.67Å; N324-V328 PolarHBondContact O-N 2.97Å; A325-V328 PolarHBondContact O-N 3.46Å; E326-V328 VanDerWaalsContact C-N 3.31Å; E326-V328 PolarHBondContact O-N 3.26Å; V328-C330 VanDerWaalsContact C-N 3.34Å; V328-C330 PolarHBondContact O-N 3.04Å; V328-G331 PolarHBondContact O-N 2.98Å; V328-G331 VanDerWaalsContact O-N 3.13Å; V328-F332 HydrophobicContact CG1-CD2 4.09Å; V328-F332 HydrophobicContact CG1-CE2 4.08Å; V328-F332 WeakPolarHBondContact O-CD2 3.29Å; V328-F332 PolarHBondContact O-N 2.96Å; V328-F332 VanDerWaalsContact O-N 3.07Å
329	A	53.1	Low	49.2	Very low	52 Å²	52	67.4 Å²	67.4	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-41.5	177	0	0	0	0	0	112.1	A325 E326 G331 F332 R333	A325-A329 PolarHBondContact O-N 3.41Å; E326-A329 PolarHBondContact O-N 3.48Å; A329-G331 VanDerWaalsContact C-N 3.34Å; A329-G331 PolarHBondContact O-N 3.35Å; A329-F332 PolarHBondContact O-N 3.06Å; A329-R333 WeakPolarHBondContact O-CB 3.16Å; A329-R333 PolarHBondContact O-N 3.01Å
330	C	54.2	Low	51.2	Low	5 Å²	5	62.2 Å²	62.2	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-42.2	172.5	-68.4	0	0	0	0	111.8	E326 V328 R333 L334 I426	E326-C330 WeakPolarHBondContact O-CB 3.43Å; E326-C330 PolarHBondContact O-N 3.49Å; E326-C330 PolarHBondContact O-SG 2.87Å; V328-C330 VanDerWaalsContact C-N 3.34Å; V328-C330 PolarHBondContact O-N 3.04Å; C330-R333 PolarHBondContact O-N 3.09Å; C330-L334 WeakPolarHBondContact O-CB 3.37Å; C330-L334 PolarHBondContact O-N 3.18Å; C330-I426 HydrophobicContact CB-CG1 4.39Å; C330-I426 HydrophobicContact CB-CG2 3.8Å
331	G	51.1	Low	52.9	Low	14 Å²	14	65 Å²	65	14%	0.144	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-46.1	176.2	0	0	0	0	0	113.6	S327 V328 A329 L334 S335	S327-G331 PolarHBondContact O-N 3.49Å; V328-G331 PolarHBondContact O-N 2.98Å; V328-G331 VanDerWaalsContact O-N 3.13Å; A329-G331 VanDerWaalsContact C-N 3.34Å; A329-G331 PolarHBondContact O-N 3.35Å; G331-L334 PolarHBondContact O-N 3.17Å; G331-S335 PolarHBondContact O-N 3.44Å
332	F	55.6	Low	54.4	Low	55 Å²	55	67.1 Å²	67.1	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-65.4	-40.9	174.6	-84.9	-80.8	0	0	0	112.4	V328 A329 S335 A336 H346 L350	V328-F332 HydrophobicContact CG1-CD2 4.09Å; V328-F332 HydrophobicContact CG1-CE2 4.08Å; V328-F332 WeakPolarHBondContact O-CD2 3.29Å; V328-F332 PolarHBondContact O-N 2.96Å; V328-F332 VanDerWaalsContact O-N 3.07Å; A329-F332 PolarHBondContact O-N 3.06Å; F332-S335 PolarHBondContact O-N 3.48Å; F332-A336 WeakPolarHBondContact O-CB 3.2Å; F332-A336 PolarHBondContact O-N 3.1Å; F332-H346 HydrophobicContact CE1-CB 4.28Å; F332-L350 HydrophobicContact CE1-CD1 4.16Å; F332-L350 HydrophobicContact CZ-CD1 3.74Å
333	R	61.9	Low	55.7	Low	98 Å²	98	65.6 Å²	65.6	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-37.5	177.8	-178.6	157.4	-79.2	172.1	-2.3	112.6	A329 C330 A336 Y337 I426	A329-R333 WeakPolarHBondContact O-CB 3.16Å; A329-R333 PolarHBondContact O-N 3.01Å; C330-R333 PolarHBondContact O-N 3.09Å; R333-A336 PolarHBondContact O-N 2.98Å; R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.12Å; R333-I426 HydrophobicContact CB-CD1 4.36Å; R333-I426 HydrophobicContact CG-CD1 4.25Å
334	L	60.7	Low	56.8	Low	25 Å²	25	60.4 Å²	60.4	13%	0.131	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-41.9	171.8	-176.8	65	0	0	0	111.7	C330 G331 A336 Y337 L338 Y424 I426 I439	C330-L334 WeakPolarHBondContact O-CB 3.37Å; C330-L334 PolarHBondContact O-N 3.18Å; G331-L334 PolarHBondContact O-N 3.17Å; L334-A336 PolarHBondContact O-N 3.26Å; L334-Y337 PolarHBondContact O-N 2.89Å; L334-L338 HydrophobicContact CD1-CD1 3.73Å; L334-L338 HydrophobicContact CD1-CG 3.95Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.84Å; L334-L338 HydrophobicContact CG-CG 4.34Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.75Å; L334-Y424 HydrophobicContact CD1-CD1 4.5Å; L334-I426 HydrophobicContact CB-CB 4.47Å; L334-I426 HydrophobicContact CB-CD1 4.25Å; L334-I426 HydrophobicContact CB-CG2 3.86Å; L334-I426 HydrophobicContact CD2-CG2 4Å; L334-I426 HydrophobicContact CG-CG2 4.39Å; L334-I439 HydrophobicContact CD1-CD1 4.1Å; L334-I439 HydrophobicContact CD1-CG1 4.28Å; L334-I439 HydrophobicContact CD1-CG2 3.64Å
335	S	62	Low	57.7	Low	23 Å²	23	60 Å²	60	16%	0.161	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-44.3	174.7	-167	0	0	0	0	111.5	G331 F332 Y337 L338 D339	G331-S335 PolarHBondContact O-N 3.44Å; F332-S335 PolarHBondContact O-N 3.48Å; S335-Y337 VanDerWaalsContact C-N 3.29Å; S335-Y337 PolarHBondContact O-N 2.73Å; S335-L338 PolarHBondContact O-N 3.01Å; S335-D339 CarbonylContact O-C 3.57Å; S335-D339 PolarHBondContact O-N 3.06Å
336	A	61.3	Low	58.5	Low	33 Å²	33	56.8 Å²	56.8	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-35	177.2	0	0	0	0	0	112.8	F332 R333 L334 C343	F332-A336 WeakPolarHBondContact O-CB 3.2Å; F332-A336 PolarHBondContact O-N 3.1Å; R333-A336 PolarHBondContact O-N 2.98Å; L334-A336 PolarHBondContact O-N 3.26Å; A336-C343 HydrophobicContact CB-CB 4.23Å
337	Y	65.1	Low	58.6	Low	97 Å²	97	51.6 Å²	51.6	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-74.5	-38.6	178.9	-171.6	-86.4	0	0	0	113.2	R333 L334 S335 L388 I439	R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.12Å; L334-Y337 PolarHBondContact O-N 2.89Å; S335-Y337 VanDerWaalsContact C-N 3.29Å; S335-Y337 PolarHBondContact O-N 2.73Å; Y337-L388 HydrophobicContact CE1-CB 4.15Å; Y337-L388 HydrophobicContact CE1-CD2 4.27Å; Y337-L388 VanDerWaalsContact OH-CB 3.27Å; Y337-L388 WeakPolarHBondContact OH-CB 3.29Å; Y337-I439 HydrophobicContact CD1-CD1 3.65Å; Y337-I439 HydrophobicContact CD2-CD1 3.94Å; Y337-I439 HydrophobicContact CE1-CD1 4.1Å; Y337-I439 HydrophobicContact CE2-CD1 4.35Å; Y337-I439 HydrophobicContact CG-CD1 3.58Å
338	L	65.6	Low	58.8	Low	81 Å²	81	51.2 Å²	51.2	42%	0.424	27%	0.267	S	S	.	.	H	α-helix	trans	-89.3	-39.9	-176.9	-63.6	178.3	0	0	0	113.9	L334 S335 Y424	L334-L338 HydrophobicContact CD1-CD1 3.73Å; L334-L338 HydrophobicContact CD1-CG 3.95Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.84Å; L334-L338 HydrophobicContact CG-CG 4.34Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.75Å; S335-L338 PolarHBondContact O-N 3.01Å; L338-Y424 HydrophobicContact CD1-CD1 4.04Å; L338-Y424 HydrophobicContact CD1-CD2 3.93Å; L338-Y424 HydrophobicContact CD1-CE1 4.24Å; L338-Y424 HydrophobicContact CD1-CE2 4.16Å; L338-Y424 HydrophobicContact CD1-CG 3.88Å; L338-Y424 HydrophobicContact CD2-CD1 4.09Å; L338-Y424 HydrophobicContact CD2-CE1 3.62Å
339	D	64.3	Low	59.1	Low	46 Å²	46	51.7 Å²	51.7	25%	0.246	26%	0.262	C	S	.	.			trans	-148.8	82.5	-177.1	-175.4	-13.7	0	0	0	109	S335 H341 R342 C343	S335-D339 CarbonylContact O-C 3.57Å; S335-D339 PolarHBondContact O-N 3.06Å; D339-H341 PolarHBondContact O-N 3.42Å; D339-H341 PolarHBondContact OD1-N 2.98Å; D339-R342 HydrophobicContact CB-CB 4.1Å; D339-R342 PolarHBondContact O-N 3.1Å; D339-R342 WeakPolarHBondContact OD1-CB 3.43Å; D339-R342 PolarHBondContact OD1-N 3.28Å; D339-R342 VanDerWaalsContact OD2-CB 3.31Å; D339-R342 WeakPolarHBondContact OD2-CB 3.42Å; D339-R342 IonicContact OD2-CZ 2.7Å; D339-R342 VanDerWaalsContact OD2-CZ 3.29Å; D339-R342 IonicContact OD2-NE 2.74Å; D339-R342 PolarHBondContact OD2-NE 3.33Å; D339-R342 IonicContact OD2-NH2 3.33Å; D339-R342 PolarHBondContact OD2-NH2 2.8Å; D339-C343 PolarHBondContact O-N 3.32Å
340	V	66.3	Low	59	Low	54 Å²	54	52.9 Å²	52.9	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-57.6	-35	-180	68.7	0	0	0	0	111.9	C343 L344 V365	V340-C343 WeakPolarHBondContact O-CB 3.29Å; V340-C343 PolarHBondContact O-N 3.05Å; V340-L344 HydrophobicContact CG2-CD1 4.17Å; V340-L344 HydrophobicContact CG2-CG 4.42Å; V340-L344 VanDerWaalsContact O-CG 3.25Å; V340-L344 WeakPolarHBondContact O-CG 3.14Å; V340-L344 PolarHBondContact O-N 2.85Å; V340-V365 HydrophobicContact CG2-CG1 4.11Å; V340-V365 HydrophobicContact CG2-CG2 4.44Å
341	H	63.2	Low	58.9	Low	148 Å²	148	52.7 Å²	52.7	69%	0.685	26%	0.26	S	S	*	.	H	α-helix	trans	-65.3	-44.5	179.9	-69.4	-75.4	0	0	0	111.5	D339 C343 L344 E345	D339-H341 PolarHBondContact O-N 3.42Å; D339-H341 PolarHBondContact OD1-N 2.98Å; H341-C343 VanDerWaalsContact C-N 3.33Å; H341-L344 PolarHBondContact O-N 3.32Å; H341-E345 PolarHBondContact O-N 2.89Å
342	R	62.1	Low	59.1	Low	112 Å²	112	55 Å²	55	42%	0.423	27%	0.265	S	S	.	.	H	α-helix	trans	-68.8	-32	174.8	-166.5	177	-50.2	-172.2	6	112.7	D339 E345 H346	D339-R342 HydrophobicContact CB-CB 4.1Å; D339-R342 PolarHBondContact O-N 3.1Å; D339-R342 WeakPolarHBondContact OD1-CB 3.43Å; D339-R342 PolarHBondContact OD1-N 3.28Å; D339-R342 VanDerWaalsContact OD2-CB 3.31Å; D339-R342 WeakPolarHBondContact OD2-CB 3.42Å; D339-R342 IonicContact OD2-CZ 2.7Å; D339-R342 VanDerWaalsContact OD2-CZ 3.29Å; D339-R342 IonicContact OD2-NE 2.74Å; D339-R342 PolarHBondContact OD2-NE 3.33Å; D339-R342 IonicContact OD2-NH2 3.33Å; D339-R342 PolarHBondContact OD2-NH2 2.8Å; R342-E345 PolarHBondContact O-N 3.49Å; R342-H346 VanDerWaalsContact O-CG 3.22Å; R342-H346 PolarHBondContact O-N 3.49Å; R342-H346 PolarHBondContact O-ND1 3.17Å
343	C	60	Low	59.1	Low	4 Å²	4	53.3 Å²	53.3	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-44	171.2	-166.3	0	0	0	0	111.5	A336 D339 V340 H341 H346 L347	A336-C343 HydrophobicContact CB-CB 4.23Å; D339-C343 PolarHBondContact O-N 3.32Å; V340-C343 WeakPolarHBondContact O-CB 3.29Å; V340-C343 PolarHBondContact O-N 3.05Å; H341-C343 VanDerWaalsContact C-N 3.33Å; C343-H346 PolarHBondContact O-N 3.02Å; C343-L347 WeakPolarHBondContact O-CG 3.25Å; C343-L347 PolarHBondContact O-N 2.62Å
344	L	61.1	Low	58.9	Low	30 Å²	30	53.1 Å²	53.1	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-36	175.7	-64.1	167.2	0	0	0	112.1	V340 H341 L347 G348 Q361 T362 V365	V340-L344 HydrophobicContact CG2-CD1 4.17Å; V340-L344 HydrophobicContact CG2-CG 4.42Å; V340-L344 VanDerWaalsContact O-CG 3.25Å; V340-L344 WeakPolarHBondContact O-CG 3.14Å; V340-L344 PolarHBondContact O-N 2.85Å; H341-L344 PolarHBondContact O-N 3.32Å; L344-L347 HydrophobicContact CD2-CD1 4.42Å; L344-L347 PolarHBondContact O-N 3.08Å; L344-G348 PolarHBondContact O-N 3.3Å; L344-Q361 HydrophobicContact CB-CB 4.2Å; L344-Q361 VanDerWaalsContact CD2-C 3.49Å; L344-Q361 HydrophobicContact CD2-CB 3.61Å; L344-Q361 VanDerWaalsContact CD2-O 3.3Å; L344-Q361 WeakPolarHBondContact CD2-O 3.34Å; L344-Q361 HydrophobicContact CG-CB 4.49Å; L344-T362 HydrophobicContact CD1-CG2 4.17Å; L344-T362 HydrophobicContact CD2-CG2 4.41Å; L344-V365 HydrophobicContact CD2-CG2 4.06Å
345	E	59.5	Low	58.5	Low	70 Å²	70	55.7 Å²	55.7	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-42.8	171.1	-170	-175.9	-170.9	0	0	111	K311 H341 R342 G348 Y349	K311-E345 IonicContact NZ-OE1 3.21Å; K311-E345 PolarHBondContact NZ-OE1 2.88Å; H341-E345 PolarHBondContact O-N 2.89Å; R342-E345 PolarHBondContact O-N 3.49Å; E345-G348 CarbonylContact O-C 3.53Å; E345-G348 VanDerWaalsContact O-CA 3.26Å; E345-G348 WeakPolarHBondContact O-CA 3.38Å; E345-G348 PolarHBondContact O-N 3.43Å; E345-Y349 HydrophobicContact CG-CD2 4.38Å; E345-Y349 HydrophobicContact CG-CE2 3.69Å; E345-Y349 WeakPolarHBondContact O-CD2 3.23Å; E345-Y349 PolarHBondContact O-N 3.14Å; E345-Y349 PolarHBondContact OE1-OH 2.76Å; E345-Y349 VanDerWaalsContact OE1-OH 3.13Å
346	H	54.5	Low	58.2	Low	18 Å²	18	57.3 Å²	57.3	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-40.7	175.9	-65.7	152.8	0	0	0	113.4	F332 R342 C343 G348 Y349 L350	F332-H346 HydrophobicContact CE1-CB 4.28Å; R342-H346 VanDerWaalsContact O-CG 3.22Å; R342-H346 PolarHBondContact O-N 3.49Å; R342-H346 PolarHBondContact O-ND1 3.17Å; C343-H346 PolarHBondContact O-N 3.02Å; H346-G348 PolarHBondContact O-N 2.91Å; H346-Y349 PolarHBondContact O-N 3.4Å; H346-Y349 VanDerWaalsContact O-N 3.09Å; H346-L350 WeakPolarHBondContact O-CG 3.19Å; H346-L350 PolarHBondContact O-N 3.19Å
347	L	53.8	Low	58.4	Low	22 Å²	22	61.6 Å²	61.6	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-33.8	171.7	-67.5	168.4	0	0	0	111.1	C343 L344 L350 G351 Y352 Q361 A364	C343-L347 WeakPolarHBondContact O-CG 3.25Å; C343-L347 PolarHBondContact O-N 2.62Å; L344-L347 HydrophobicContact CD2-CD1 4.42Å; L344-L347 PolarHBondContact O-N 3.08Å; L347-L350 PolarHBondContact O-N 3.14Å; L347-G351 PolarHBondContact O-N 3.36Å; L347-Y352 HydrophobicContact CD2-CD2 4.19Å; L347-Y352 HydrophobicContact CD2-CG 4.2Å; L347-Y352 PolarHBondContact O-N 3.17Å; L347-Q361 PolarHBondContact O-OE1 3.06Å; L347-A364 HydrophobicContact CD1-CB 3.61Å
348	G	52.9	Low	58.5	Low	23 Å²	23	61.4 Å²	61.4	24%	0.237	31%	0.305	C	S	.	.	H	α-helix	trans	-48.8	-55.9	161.8	0	0	0	0	0	113.2	R191 L344 E345 H346 L350 G351	R191-G348 PolarHBondContact NH2-O 3.31Å; L344-G348 PolarHBondContact O-N 3.3Å; E345-G348 CarbonylContact O-C 3.53Å; E345-G348 VanDerWaalsContact O-CA 3.26Å; E345-G348 WeakPolarHBondContact O-CA 3.38Å; E345-G348 PolarHBondContact O-N 3.43Å; H346-G348 PolarHBondContact O-N 2.91Å; G348-L350 VanDerWaalsContact C-N 3.33Å; G348-L350 PolarHBondContact O-N 2.87Å; G348-G351 PolarHBondContact O-N 3.47Å; G348-G351 VanDerWaalsContact O-N 3.15Å
349	Y	52.8	Low	58.4	Low	75 Å²	75	67.4 Å²	67.4	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-31.3	-179.5	-65	-41.2	0	0	0	114	R191 I307 E345 H346 G351	R191-Y349 PolarHBondContact NE-O 3.35Å; R191-Y349 VanDerWaalsContact NH2-C 3.27Å; R191-Y349 VanDerWaalsContact NH2-CA 3.33Å; R191-Y349 PolarHBondContact NH2-O 2.91Å; I307-Y349 HydrophobicContact CD1-CE1 3.97Å; I307-Y349 HydrophobicContact CG1-CE1 4.35Å; E345-Y349 HydrophobicContact CG-CD2 4.38Å; E345-Y349 HydrophobicContact CG-CE2 3.69Å; E345-Y349 WeakPolarHBondContact O-CD2 3.23Å; E345-Y349 PolarHBondContact O-N 3.14Å; E345-Y349 PolarHBondContact OE1-OH 2.76Å; E345-Y349 VanDerWaalsContact OE1-OH 3.13Å; H346-Y349 PolarHBondContact O-N 3.4Å; H346-Y349 VanDerWaalsContact O-N 3.09Å; Y349-G351 VanDerWaalsContact C-N 3.33Å
350	L	52	Low	58.5	Low	77 Å²	77	67.4 Å²	67.4	40%	0.403	33%	0.334	S	S	.	.	H	α-helix	trans	-78.5	-11.4	173.5	-65.9	175.6	0	0	0	114.2	F332 H346 L347 G348	F332-L350 HydrophobicContact CE1-CD1 4.16Å; F332-L350 HydrophobicContact CZ-CD1 3.74Å; H346-L350 WeakPolarHBondContact O-CG 3.19Å; H346-L350 PolarHBondContact O-N 3.19Å; L347-L350 PolarHBondContact O-N 3.14Å; G348-L350 VanDerWaalsContact C-N 3.33Å; G348-L350 PolarHBondContact O-N 2.87Å
351	G	51.3	Low	58.4	Low	2 Å²	2	66.7 Å²	66.7	2%	0.021	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	22.6	-179.6	0	0	0	0	0	114.3	L347 G348 Y349 P353 I354 L355	L347-G351 PolarHBondContact O-N 3.36Å; G348-G351 PolarHBondContact O-N 3.47Å; G348-G351 VanDerWaalsContact O-N 3.15Å; Y349-G351 VanDerWaalsContact C-N 3.33Å; G351-P353 VanDerWaalsContact C-CD 3.41Å; G351-P353 VanDerWaalsContact O-N 3.16Å; G351-I354 WeakPolarHBondContact O-CB 3.4Å; G351-I354 PolarHBondContact O-N 3.2Å; G351-L355 PolarHBondContact O-N 3.35Å; G351-L355 VanDerWaalsContact O-N 3.08Å
352	Y	56.2	Low	58.6	Low	61 Å²	61	63 Å²	63	24%	0.239	32%	0.315	C	S	.	.	H	α-helix	trans	-44.6	-47.6	-173.3	171.2	-90.5	0	0	0	115.5	L347 I354 L355 T356 Q358 A364	L347-Y352 HydrophobicContact CD2-CD2 4.19Å; L347-Y352 HydrophobicContact CD2-CG 4.2Å; L347-Y352 PolarHBondContact O-N 3.17Å; Y352-I354 VanDerWaalsContact C-N 3.33Å; Y352-I354 PolarHBondContact O-N 3.13Å; Y352-L355 PolarHBondContact O-N 3.46Å; Y352-T356 HydrophobicContact CD2-CG2 3.96Å; Y352-T356 HydrophobicContact CE2-CG2 3.71Å; Y352-T356 WeakPolarHBondContact O-CB 3.15Å; Y352-T356 PolarHBondContact O-N 3.48Å; Y352-T356 PolarHBondContact O-OG1 2.86Å; Y352-Q358 HydrophobicContact CE1-CG 4.45Å; Y352-A364 HydrophobicContact CD1-CB 4.3Å; Y352-A364 HydrophobicContact CE1-CB 3.69Å; Y352-A364 HydrophobicContact CE2-CB 4.15Å; Y352-A364 WeakPolarHBondContact OH-CA 3.39Å
353	P	54.9	Low	58.8	Low	20 Å²	20	59.1 Å²	59.1	13%	0.13	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-28.4	-175.5	-10.4	27.8	0	0	0	112.1	G351 E357 Q358 Q361	G351-P353 VanDerWaalsContact C-CD 3.41Å; G351-P353 VanDerWaalsContact O-N 3.16Å; P353-E357 WeakPolarHBondContact O-CA 3.45Å; P353-E357 PolarHBondContact O-N 3.25Å; P353-E357 VanDerWaalsContact O-N 3.1Å; P353-Q358 HydrophobicContact CB-CB 4.33Å; P353-Q358 WeakPolarHBondContact CB-O 3.31Å; P353-Q358 PolarHBondContact O-N 3.01Å; P353-Q361 VanDerWaalsContact CD-CD 3.45Å; P353-Q361 VanDerWaalsContact CD-OE1 3.27Å; P353-Q361 HydrophobicContact CG-CG 4.11Å
354	I	57.4	Low	58.7	Low	94 Å²	94	60.9 Å²	60.9	48%	0.482	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-42.2	174	-53.6	174.9	0	0	0	109.3	G351 Y352	G351-I354 WeakPolarHBondContact O-CB 3.4Å; G351-I354 PolarHBondContact O-N 3.2Å; Y352-I354 VanDerWaalsContact C-N 3.33Å; Y352-I354 PolarHBondContact O-N 3.13Å
355	L	51.5	Low	58.7	Low	79 Å²	79	60.8 Å²	60.8	41%	0.414	32%	0.322	S	S	.	.	H	α-helix	trans	-75.7	-32	-179.5	-69	176.2	0	0	0	114.1	I195 Q198 G351 Y352	I195-L355 HydrophobicContact CG2-CD2 4.37Å; I195-L355 HydrophobicContact CG2-CG 4.32Å; I195-L355 WeakPolarHBondContact O-CD2 3.48Å; Q198-L355 HydrophobicContact CG-CD2 4.44Å; G351-L355 PolarHBondContact O-N 3.35Å; G351-L355 VanDerWaalsContact O-N 3.08Å; Y352-L355 PolarHBondContact O-N 3.46Å
356	T	55.7	Low	58.6	Low	57 Å²	57	61.4 Å²	61.4	35%	0.35	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.9	-175.8	58	0	0	0	0	113.9	Y352 Q358	Y352-T356 HydrophobicContact CD2-CG2 3.96Å; Y352-T356 HydrophobicContact CE2-CG2 3.71Å; Y352-T356 WeakPolarHBondContact O-CB 3.15Å; Y352-T356 PolarHBondContact O-N 3.48Å; Y352-T356 PolarHBondContact O-OG1 2.86Å; T356-Q358 PolarHBondContact O-N 3.25Å; T356-Q358 PolarHBondContact O-NE2 2.97Å; T356-Q358 VanDerWaalsContact OG1-CG 3.31Å; T356-Q358 WeakPolarHBondContact OG1-CG 3.49Å
357	E	66.8	Low	58.3	Low	123 Å²	123	68.6 Å²	68.6	58%	0.575	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	41.7	-175.5	-57.8	-166.1	161.2	0	0	113.1	K214 P353	K214-E357 VanDerWaalsContact NZ-CD 3.34Å; K214-E357 IonicContact NZ-OE1 2.68Å; K214-E357 PolarHBondContact NZ-OE1 3.22Å; K214-E357 IonicContact NZ-OE2 3.18Å; K214-E357 PolarHBondContact NZ-OE2 3.06Å; K214-E357 VanDerWaalsContact NZ-OE2 3.14Å; P353-E357 WeakPolarHBondContact O-CA 3.45Å; P353-E357 PolarHBondContact O-N 3.25Å; P353-E357 VanDerWaalsContact O-N 3.1Å
358	Q	65.7	Low	58.4	Low	94 Å²	94	70.2 Å²	70.2	44%	0.439	39%	0.387	S	S	.	.			trans	-103.2	150.2	-179.8	-61.6	-57.6	-55.1	0	0	112.2	Y352 P353 T356 S360 A363	Y352-Q358 HydrophobicContact CE1-CG 4.45Å; P353-Q358 HydrophobicContact CB-CB 4.33Å; P353-Q358 WeakPolarHBondContact CB-O 3.31Å; P353-Q358 PolarHBondContact O-N 3.01Å; T356-Q358 PolarHBondContact O-N 3.25Å; T356-Q358 PolarHBondContact O-NE2 2.97Å; T356-Q358 VanDerWaalsContact OG1-CG 3.31Å; T356-Q358 WeakPolarHBondContact OG1-CG 3.49Å; Q358-S360 VanDerWaalsContact C-N 3.26Å; Q358-S360 PolarHBondContact O-N 3.38Å; Q358-A363 HydrophobicContact CB-CB 4.08Å; Q358-A363 HydrophobicContact CG-CB 4.01Å
359	E	64.4	Low	58.6	Low	206 Å²	206	74.5 Å²	74.5	96%	0.963	41%	0.408	S	S	*	.	S	Bend	trans	-66	-25.4	177.9	-62.6	-171.1	159.6	0	0	113.5
360	S	67.3	Low	59.1	Low	47 Å²	47	74.1 Å²	74.1	33%	0.329	41%	0.414	S	S	.	.			trans	-158.2	157.5	-173.3	175.3	0	0	0	0	112.9	Q358 T362 A363	Q358-S360 VanDerWaalsContact C-N 3.26Å; Q358-S360 PolarHBondContact O-N 3.38Å; S360-T362 WeakPolarHBondContact CB-OG1 3.37Å; S360-T362 PolarHBondContact O-N 3.11Å; S360-T362 PolarHBondContact OG-N 3.46Å; S360-T362 PolarHBondContact OG-OG1 3.15Å; S360-A363 WeakPolarHBondContact O-CB 3.5Å; S360-A363 PolarHBondContact O-N 3.26Å
361	Q	63.7	Low	59.7	Low	39 Å²	39	74.9 Å²	74.9	18%	0.182	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.3	168.5	-53	-60	-15.1	0	0	112.7	L344 L347 P353 A363 A364	L344-Q361 HydrophobicContact CB-CB 4.2Å; L344-Q361 VanDerWaalsContact CD2-C 3.49Å; L344-Q361 HydrophobicContact CD2-CB 3.61Å; L344-Q361 VanDerWaalsContact CD2-O 3.3Å; L344-Q361 WeakPolarHBondContact CD2-O 3.34Å; L344-Q361 HydrophobicContact CG-CB 4.49Å; L347-Q361 PolarHBondContact O-OE1 3.06Å; P353-Q361 VanDerWaalsContact CD-CD 3.45Å; P353-Q361 VanDerWaalsContact CD-OE1 3.27Å; P353-Q361 HydrophobicContact CG-CG 4.11Å; Q361-A363 PolarHBondContact O-N 3.49Å; Q361-A364 WeakPolarHBondContact O-CB 3.34Å; Q361-A364 PolarHBondContact O-N 3.08Å; Q361-A364 VanDerWaalsContact O-N 3.15Å
362	T	68	Low	60.5	Low	71 Å²	71	81.6 Å²	81.6	44%	0.436	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.5	-174.6	49.5	0	0	0	0	112.6	L344 S360 A364 V365 T366	L344-T362 HydrophobicContact CD1-CG2 4.17Å; L344-T362 HydrophobicContact CD2-CG2 4.41Å; S360-T362 WeakPolarHBondContact CB-OG1 3.37Å; S360-T362 PolarHBondContact O-N 3.11Å; S360-T362 PolarHBondContact OG-N 3.46Å; S360-T362 PolarHBondContact OG-OG1 3.15Å; T362-A364 PolarHBondContact O-N 3.31Å; T362-A364 VanDerWaalsContact O-N 3.14Å; T362-V365 PolarHBondContact O-N 3.12Å; T362-T366 PolarHBondContact O-N 3.08Å; T362-T366 PolarHBondContact O-OG1 3.26Å
363	A	64.5	Low	61.2	Low	29 Å²	29	81.3 Å²	81.3	24%	0.24	44%	0.442	C	S	.	.	H	α-helix	trans	-53.9	-32.4	175.3	0	0	0	0	0	113.1	Q358 S360 Q361 V365	Q358-A363 HydrophobicContact CB-CB 4.08Å; Q358-A363 HydrophobicContact CG-CB 4.01Å; S360-A363 WeakPolarHBondContact O-CB 3.5Å; S360-A363 PolarHBondContact O-N 3.26Å; Q361-A363 PolarHBondContact O-N 3.49Å; A363-V365 PolarHBondContact O-N 2.89Å
364	A	58.7	Low	61.9	Low	41 Å²	41	85.3 Å²	85.3	34%	0.339	46%	0.462	S	S	.	.	H	α-helix	trans	-64	-19	175.9	0	0	0	0	0	114.3	L347 Y352 Q361 T362	L347-A364 HydrophobicContact CD1-CB 3.61Å; Y352-A364 HydrophobicContact CD1-CB 4.3Å; Y352-A364 HydrophobicContact CE1-CB 3.69Å; Y352-A364 HydrophobicContact CE2-CB 4.15Å; Y352-A364 WeakPolarHBondContact OH-CA 3.39Å; Q361-A364 WeakPolarHBondContact O-CB 3.34Å; Q361-A364 PolarHBondContact O-N 3.08Å; Q361-A364 VanDerWaalsContact O-N 3.15Å; T362-A364 PolarHBondContact O-N 3.31Å; T362-A364 VanDerWaalsContact O-N 3.14Å
365	V	61.6	Low	62.6	Low	29 Å²	29	82.7 Å²	82.7	18%	0.176	45%	0.451	C	S	.	.	H	α-helix	trans	-119.5	-24.1	-172.8	-170.3	0	0	0	0	111.9	V340 L344 T362 A363 D367 A368 V369	V340-V365 HydrophobicContact CG2-CG1 4.11Å; V340-V365 HydrophobicContact CG2-CG2 4.44Å; L344-V365 HydrophobicContact CD2-CG2 4.06Å; T362-V365 PolarHBondContact O-N 3.12Å; A363-V365 PolarHBondContact O-N 2.89Å; V365-D367 PolarHBondContact O-N 3.26Å; V365-A368 CarbonylContact O-C 3.52Å; V365-A368 WeakPolarHBondContact O-CA 3.12Å; V365-A368 WeakPolarHBondContact O-CB 3.49Å; V365-A368 PolarHBondContact O-N 3.25Å; V365-V369 WeakPolarHBondContact O-CG2 3.33Å; V365-V369 PolarHBondContact O-N 3.19Å; V365-V369 VanDerWaalsContact O-N 3.16Å
366	T	56.1	Low	63.7	Low	83 Å²	83	79.5 Å²	79.5	51%	0.509	43%	0.434	S	S	.	.	H	α-helix	trans	-50.7	-49.8	-177.5	-54.9	0	0	0	0	113	T362 A368 V369	T362-T366 PolarHBondContact O-N 3.08Å; T362-T366 PolarHBondContact O-OG1 3.26Å; T366-A368 PolarHBondContact O-N 3.21Å; T366-V369 PolarHBondContact O-N 2.81Å
367	D	49.9	Very low	64.5	Low	168 Å²	168	79 Å²	79	90%	0.898	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13	178.9	-69.4	-22	0	0	0	113.6	V365	V365-D367 PolarHBondContact O-N 3.26Å
368	A	54	Low	64.6	Low	57 Å²	57	80.5 Å²	80.5	47%	0.471	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.6	176.6	0	0	0	0	0	113.4	V365 T366 T370	V365-A368 CarbonylContact O-C 3.52Å; V365-A368 WeakPolarHBondContact O-CA 3.12Å; V365-A368 WeakPolarHBondContact O-CB 3.49Å; V365-A368 PolarHBondContact O-N 3.25Å; T366-A368 PolarHBondContact O-N 3.21Å; A368-T370 PolarHBondContact O-N 3.49Å
369	V	57.5	Low	65.1	Low	113 Å²	113	81.9 Å²	81.9	69%	0.685	44%	0.441	S	S	*	.			trans	-70.5	97.6	175.6	-178.2	0	0	0	0	109.6	V365 T366	V365-V369 WeakPolarHBondContact O-CG2 3.33Å; V365-V369 PolarHBondContact O-N 3.19Å; V365-V369 VanDerWaalsContact O-N 3.16Å; T366-V369 PolarHBondContact O-N 2.81Å
370	T	64.1	Low	65.5	Low	67 Å²	67	80.1 Å²	80.1	41%	0.411	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-77.5	142.1	177.4	61.7	0	0	0	0	111.4	A368 R384	A368-T370 PolarHBondContact O-N 3.49Å; T370-R384 HydrophobicContact CG2-CG 3.94Å
371	R	64.8	Low	65.8	Low	92 Å²	92	83.2 Å²	83.2	35%	0.347	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-57.1	163	174.1	70.8	-174.2	-176	-164.6	1.9	113.6	D376 Q381 R384	R371-D376 IonicContact CZ-OD1 3.04Å; R371-D376 IonicContact NE-OD1 3.47Å; R371-D376 PolarHBondContact NE-OD1 3.29Å; R371-D376 IonicContact NH2-OD1 2.77Å; R371-D376 PolarHBondContact NH2-OD1 2.99Å; R371-Q381 PolarHBondContact NH2-O 2.91Å; R371-R384 PolarHBondContact O-NH2 3.04Å
372	E	67.3	Low	66.4	Low	143 Å²	143	82.4 Å²	82.4	67%	0.668	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-53.4	149.1	179.5	-66.3	-178	161.3	0	0	113.4	D374 V375 D376	E372-D374 PolarHBondContact O-N 3.16Å; E372-V375 HydrophobicContact CB-CG2 4.3Å; E372-V375 PolarHBondContact O-N 2.77Å; E372-D376 PolarHBondContact O-N 3.49Å
373	K	71.4	Confident	66.5	Low	56 Å²	56	85.3 Å²	85.3	24%	0.243	44%	0.441	C	S	.	.	H	α-helix	trans	-68.7	-35.7	-173.1	-175.7	166.9	178.1	159.9	0	112.3	V375 D376 L377 C457 D458	K373-V375 VanDerWaalsContact C-N 3.3Å; K373-V375 PolarHBondContact O-N 2.94Å; K373-D376 WeakPolarHBondContact O-CB 3.42Å; K373-D376 PolarHBondContact O-N 2.86Å; K373-D376 VanDerWaalsContact O-N 3.09Å; K373-L377 HydrophobicContact CG-CD1 4.39Å; K373-L377 WeakPolarHBondContact O-CG 3.42Å; K373-L377 PolarHBondContact O-N 3.41Å; K373-C457 PolarHBondContact NZ-O 3Å; K373-D458 IonicContact NZ-OD1 2.78Å; K373-D458 PolarHBondContact NZ-OD1 3.14Å
374	D	69.3	Low	67.1	Low	104 Å²	104	85.7 Å²	85.7	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-66.5	-35.5	-178.7	-55.8	-44.8	0	0	0	111.2	E372 D376 L377 E378	E372-D374 PolarHBondContact O-N 3.16Å; D374-D376 VanDerWaalsContact C-N 3.33Å; D374-D376 PolarHBondContact O-N 3.25Å; D374-L377 PolarHBondContact O-N 3.07Å; D374-L377 VanDerWaalsContact O-N 3.16Å; D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 3.09Å
375	V	72.1	Confident	68	Low	39 Å²	39	86 Å²	86	24%	0.236	44%	0.436	C	S	.	.	H	α-helix	trans	-65.6	-32.8	172.7	-175.8	0	0	0	0	112.4	E372 K373 K379	E372-V375 HydrophobicContact CB-CG2 4.3Å; E372-V375 PolarHBondContact O-N 2.77Å; K373-V375 VanDerWaalsContact C-N 3.3Å; K373-V375 PolarHBondContact O-N 2.94Å; V375-K379 HydrophobicContact CG1-CD 3.97Å; V375-K379 WeakPolarHBondContact O-CB 3.32Å; V375-K379 WeakPolarHBondContact O-CG 3.5Å; V375-K379 PolarHBondContact O-N 2.61Å
376	D	75.2	Confident	68.8	Low	12 Å²	12	85.4 Å²	85.4	6%	0.064	43%	0.434	C	S	.	.	H	α-helix	trans	-70.5	-37.7	172	-84	-11.4	0	0	0	111.8	R371 E372 K373 D374 R380 Q381 T382 R384	R371-D376 IonicContact CZ-OD1 3.04Å; R371-D376 IonicContact NE-OD1 3.47Å; R371-D376 PolarHBondContact NE-OD1 3.29Å; R371-D376 IonicContact NH2-OD1 2.77Å; R371-D376 PolarHBondContact NH2-OD1 2.99Å; E372-D376 PolarHBondContact O-N 3.49Å; K373-D376 WeakPolarHBondContact O-CB 3.42Å; K373-D376 PolarHBondContact O-N 2.86Å; K373-D376 VanDerWaalsContact O-N 3.09Å; D374-D376 VanDerWaalsContact C-N 3.33Å; D374-D376 PolarHBondContact O-N 3.25Å; D376-R380 PolarHBondContact O-N 3.07Å; D376-Q381 PolarHBondContact O-N 2.98Å; D376-T382 VanDerWaalsContact OD2-CB 3.29Å; D376-T382 WeakPolarHBondContact OD2-CB 3.48Å; D376-T382 PolarHBondContact OD2-OG1 2.84Å; D376-R384 IonicContact OD2-NE 3.38Å; D376-R384 PolarHBondContact OD2-NE 3.17Å
377	L	71.8	Confident	70.2	Confident	46 Å²	46	81.6 Å²	81.6	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-68.5	-47.5	177.1	-69.5	174.1	0	0	0	111.9	K373 D374 K379 R380 P548	K373-L377 HydrophobicContact CG-CD1 4.39Å; K373-L377 WeakPolarHBondContact O-CG 3.42Å; K373-L377 PolarHBondContact O-N 3.41Å; D374-L377 PolarHBondContact O-N 3.07Å; D374-L377 VanDerWaalsContact O-N 3.16Å; L377-K379 PolarHBondContact O-N 3.25Å; L377-R380 PolarHBondContact O-N 2.92Å; L377-P548 HydrophobicContact CD2-CB 3.93Å; L377-P548 HydrophobicContact CD2-CG 3.97Å
378	E	69.6	Low	72.1	Confident	154 Å²	154	74.4 Å²	74.4	72%	0.72	37%	0.372	S	S	*	.	H	α-helix	trans	-56.6	-48.4	174.8	-76	-178.4	168.8	0	0	111.9	D374 R380	D374-E378 WeakPolarHBondContact O-CG 3.47Å; D374-E378 PolarHBondContact O-N 3.09Å; E378-R380 PolarHBondContact O-N 2.81Å
379	K	76.3	Confident	73.9	Confident	124 Å²	124	71.7 Å²	71.7	54%	0.539	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.9	-178.1	-66.4	177.5	-178.1	173.4	0	113.4	V375 L377 Q381	V375-K379 HydrophobicContact CG1-CD 3.97Å; V375-K379 WeakPolarHBondContact O-CB 3.32Å; V375-K379 WeakPolarHBondContact O-CG 3.5Å; V375-K379 PolarHBondContact O-N 2.61Å; L377-K379 PolarHBondContact O-N 3.25Å; K379-Q381 PolarHBondContact O-N 3.13Å
380	R	72.9	Confident	75.5	Confident	169 Å²	169	67.1 Å²	67.1	64%	0.638	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	27.9	-176.9	-59.9	-174.5	180	-158.3	-1.5	113.7	D376 L377 E378 H549	D376-R380 PolarHBondContact O-N 3.07Å; L377-R380 PolarHBondContact O-N 2.92Å; E378-R380 PolarHBondContact O-N 2.81Å; R380-H549 PolarHBondContact O-CE1 3Å
381	Q	73.1	Confident	76.8	Confident	111 Å²	111	64 Å²	64	52%	0.519	30%	0.301	S	S	.	.			trans	-149.8	126.5	-175.5	-174.3	-172.9	29.4	0	0	108.5	R371 D376 K379	R371-Q381 PolarHBondContact NH2-O 2.91Å; D376-Q381 PolarHBondContact O-N 2.98Å; K379-Q381 PolarHBondContact O-N 3.13Å
382	T	75.4	Confident	78.1	Confident	22 Å²	22	59.6 Å²	59.6	14%	0.135	28%	0.284	C	S	.	.			trans	-109.5	145.4	173.1	-172.6	0	0	0	0	111.5	D376 R384 F387 M546	D376-T382 VanDerWaalsContact OD2-CB 3.29Å; D376-T382 WeakPolarHBondContact OD2-CB 3.48Å; D376-T382 PolarHBondContact OD2-OG1 2.84Å; T382-R384 VanDerWaalsContact OG1-CB 3.31Å; T382-R384 WeakPolarHBondContact OG1-CB 3.44Å; T382-R384 WeakPolarHBondContact OG1-CD 3.26Å; T382-R384 WeakPolarHBondContact OG1-CG 3.5Å; T382-R384 PolarHBondContact OG1-N 3.22Å; T382-R384 VanDerWaalsContact OG1-N 3.08Å; T382-F387 HydrophobicContact CG2-CE1 3.98Å; T382-F387 HydrophobicContact CG2-CZ 3.95Å; T382-M546 HydrophobicContact CG2-CG 4.47Å
383	Q	71.4	Confident	79.1	Confident	132 Å²	132	52.9 Å²	52.9	62%	0.617	25%	0.253	S	S	*	.			trans	-100.5	4.2	168.3	-63.7	-63.5	-15.1	0	0	112.1
384	R	77	Confident	79.9	Confident	37 Å²	37	51.4 Å²	51.4	14%	0.14	25%	0.249	C	C	.	.			trans	-60.4	142.5	-179.5	-67.8	167.4	-173.2	-126.6	-17.3	111.2	T370 R371 D376 T382 F387 K436 D458	T370-R384 HydrophobicContact CG2-CG 3.94Å; R371-R384 PolarHBondContact O-NH2 3.04Å; D376-R384 IonicContact OD2-NE 3.38Å; D376-R384 PolarHBondContact OD2-NE 3.17Å; T382-R384 VanDerWaalsContact OG1-CB 3.31Å; T382-R384 WeakPolarHBondContact OG1-CB 3.44Å; T382-R384 WeakPolarHBondContact OG1-CD 3.26Å; T382-R384 WeakPolarHBondContact OG1-CG 3.5Å; T382-R384 PolarHBondContact OG1-N 3.22Å; T382-R384 VanDerWaalsContact OG1-N 3.08Å; R384-F387 HydrophobicContact CB-CE1 3.78Å; R384-F387 HydrophobicContact CB-CZ 3.93Å; R384-K436 PolarHBondContact O-NZ 3.26Å; R384-D458 IonicContact NH1-OD1 3.62Å
385	S	76.3	Confident	80.6	Confident	49 Å²	49	54.1 Å²	54.1	34%	0.343	25%	0.252	S	S	.	.	S	Bend	trans	-105.5	-14.4	176.9	57.4	0	0	0	0	112.9	Y437	S385-Y437 PolarHBondContact O-N 3.46Å
386	A	79.3	Confident	81.1	Confident	16 Å²	16	54.9 Å²	54.9	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.6	177	0	0	0	0	0	111.1	Y437	A386-Y437 CarbonylContact C-O 3.56Å; A386-Y437 VanDerWaalsContact CA-O 3.29Å; A386-Y437 WeakPolarHBondContact CA-O 3.24Å
387	F	86.6	Confident	81.7	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.4	-178.6	-59.4	-76.5	0	0	0	111.3	T382 R384 K436 Y437 L438 I439 D458 A545 M546	T382-F387 HydrophobicContact CG2-CE1 3.98Å; T382-F387 HydrophobicContact CG2-CZ 3.95Å; R384-F387 HydrophobicContact CB-CE1 3.78Å; R384-F387 HydrophobicContact CB-CZ 3.93Å; F387-K436 HydrophobicContact CD2-CB 4.41Å; F387-K436 HydrophobicContact CE2-CB 4.14Å; F387-K436 HydrophobicContact CE2-CD 4.03Å; F387-K436 HydrophobicContact CE2-CG 4.09Å; F387-Y437 PolarHBondContact N-O 3.42Å; F387-L438 HydrophobicContact CB-CD1 4.43Å; F387-I439 PolarHBondContact O-N 3.29Å; F387-D458 HydrophobicContact CB-CB 4.25Å; F387-D458 HydrophobicContact CD1-CB 4.27Å; F387-A545 HydrophobicContact CB-CB 3.82Å; F387-A545 HydrophobicContact CD1-CB 3.78Å; F387-A545 HydrophobicContact CG-CB 3.84Å; F387-M546 HydrophobicContact CD2-CG 4.4Å; F387-M546 HydrophobicContact CE1-CG 4.08Å; F387-M546 HydrophobicContact CE2-CG 3.5Å; F387-M546 HydrophobicContact CE2-SD 4.16Å; F387-M546 HydrophobicContact CZ-CB 4.46Å; F387-M546 HydrophobicContact CZ-CG 3.33Å; F387-M546 HydrophobicContact CZ-SD 4.37Å
388	L	87.9	Confident	82.4	Confident	17 Å²	17	53.5 Å²	53.5	9%	0.089	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.8	175.7	178.6	66.5	0	0	0	111.7	Y337 I439 N441 C457 D458 V459	Y337-L388 HydrophobicContact CE1-CB 4.15Å; Y337-L388 HydrophobicContact CE1-CD2 4.27Å; Y337-L388 VanDerWaalsContact OH-CB 3.27Å; Y337-L388 WeakPolarHBondContact OH-CB 3.29Å; L388-I439 HydrophobicContact CD1-CB 4.12Å; L388-I439 HydrophobicContact CD1-CG2 3.77Å; L388-N441 HydrophobicContact CD1-CB 4.06Å; L388-C457 HydrophobicContact CD2-CB 4.28Å; L388-C457 HydrophobicContact CG-CB 4.21Å; L388-C457 WeakPolarHBondContact O-CB 3.24Å; L388-D458 PolarHBondContact N-OD2 2.94Å; L388-D458 WeakPolarHBondContact O-CA 3.46Å; L388-D458 PolarHBondContact O-N 3.34Å; L388-V459 PolarHBondContact O-N 3.37Å; L388-V459 VanDerWaalsContact O-N 3.16Å
389	C	92.4	Very high	83.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.3	169.9	177.2	0	0	0	0	109.9	L438 I439 L440 N441 V459	C389-L438 HydrophobicContact CB-CD1 3.85Å; C389-L438 HydrophobicContact CB-CG 4.48Å; C389-I439 PolarHBondContact N-O 2.76Å; C389-L440 HydrophobicContact CB-CD2 3.76Å; C389-N441 PolarHBondContact O-N 3.3Å; C389-V459 VanDerWaalsContact CA-O 3.32Å; C389-V459 WeakPolarHBondContact CA-O 3.41Å; C389-V459 HydrophobicContact CB-CG1 3.57Å
390	K	91.7	Very high	83.8	Confident	18 Å²	18	43.1 Å²	43.1	8%	0.078	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.5	170.4	-78.8	178.1	173.9	169.5	0	109.6	I392 N441 V443 S453 D454 A456 C457 V459 C461	K390-I392 HydrophobicContact CB-CD1 4.18Å; K390-I392 HydrophobicContact CB-CG1 4.24Å; K390-N441 HydrophobicContact CG-CB 4.42Å; K390-V443 HydrophobicContact CB-CG2 4.11Å; K390-V443 HydrophobicContact CD-CG2 4.44Å; K390-V443 HydrophobicContact CG-CG2 4.18Å; K390-S453 PolarHBondContact NZ-O 3.49Å; K390-D454 WeakPolarHBondContact CD-O 3.47Å; K390-D454 WeakPolarHBondContact CE-O 3.33Å; K390-D454 VanDerWaalsContact NZ-C 3.26Å; K390-D454 PolarHBondContact NZ-O 3.32Å; K390-A456 VanDerWaalsContact CE-O 3.24Å; K390-A456 WeakPolarHBondContact CE-O 3.37Å; K390-A456 PolarHBondContact NZ-O 3.34Å; K390-C457 HydrophobicContact CB-CB 4.2Å; K390-C457 HydrophobicContact CD-CB 3.88Å; K390-C457 HydrophobicContact CG-CB 3.84Å; K390-V459 PolarHBondContact N-O 2.85Å; K390-V459 VanDerWaalsContact N-O 3.12Å; K390-C461 PolarHBondContact O-N 2.95Å
391	V	91.7	Very high	84.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.9	-179	-177.8	0	0	0	0	108	K399 F402 L403 L440 N441 V443 C461 M463	V391-K399 HydrophobicContact CG1-CB 4.2Å; V391-K399 HydrophobicContact CG1-CD 4.42Å; V391-K399 HydrophobicContact CG1-CG 4.12Å; V391-F402 HydrophobicContact CG1-CD1 4.19Å; V391-F402 HydrophobicContact CG2-CD1 4.17Å; V391-F402 HydrophobicContact CG2-CE1 4.13Å; V391-L403 HydrophobicContact CB-CD1 4.15Å; V391-L403 HydrophobicContact CG1-CD1 4.24Å; V391-L403 HydrophobicContact CG2-CD1 3.95Å; V391-L440 HydrophobicContact CG2-CB 4.36Å; V391-L440 HydrophobicContact CG2-CD2 4.33Å; V391-N441 PolarHBondContact N-O 3Å; V391-V443 PolarHBondContact O-N 2.85Å; V391-C461 HydrophobicContact CG2-CB 4.25Å; V391-M463 HydrophobicContact CG1-CG 3.93Å; V391-M463 HydrophobicContact CG1-SD 3.35Å; V391-M463 WeakPolarHBondContact CG1-SD 3.43Å
392	I	91.1	Very high	85	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.9	-167.4	-52.6	165.6	0	0	0	109.1	K390 V443 L450 C461 L462 M463 Y474 I478 Y483	K390-I392 HydrophobicContact CB-CD1 4.18Å; K390-I392 HydrophobicContact CB-CG1 4.24Å; I392-V443 HydrophobicContact CG1-CB 4.14Å; I392-V443 HydrophobicContact CG1-CG2 3.96Å; I392-L450 HydrophobicContact CD1-CD1 4.06Å; I392-L450 HydrophobicContact CG2-CD1 4.44Å; I392-C461 PolarHBondContact N-O 2.88Å; I392-L462 HydrophobicContact CB-CD2 4.25Å; I392-L462 WeakPolarHBondContact O-CA 3.26Å; I392-M463 PolarHBondContact O-N 3.35Å; I392-Y474 HydrophobicContact CG2-CE1 4.44Å; I392-I478 HydrophobicContact CG2-CG2 4.21Å; I392-Y483 HydrophobicContact CD1-CE2 3.96Å; I392-Y483 WeakPolarHBondContact CD1-OH 3.29Å
393	G	89	Confident	85.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.01	17%	0.174	C	C	.	.			trans	172.9	167.4	179.4	0	0	0	0	0	111.2	K399 M463	G393-K399 PolarHBondContact O-NZ 3.32Å; G393-M463 WeakPolarHBondContact CA-O 3.46Å
394	P	87.4	Confident	86	Confident	25 Å²	25	25.2 Å²	25.2	16%	0.162	15%	0.151	C	C	.	.			trans	-63.6	170.9	-179.5	18.9	-22.3	0	0	0	112.6	T397 K399 Y474	P394-T397 HydrophobicContact CB-CG2 4.39Å; P394-T397 HydrophobicContact CG-CG2 3.58Å; P394-T397 PolarHBondContact O-OG1 3.18Å; P394-T397 VanDerWaalsContact O-OG1 3.13Å; P394-K399 PolarHBondContact O-NZ 3.22Å; P394-Y474 HydrophobicContact CB-CD1 4.43Å; P394-Y474 HydrophobicContact CB-CD2 4.49Å; P394-Y474 HydrophobicContact CB-CG 4.2Å; P394-Y474 HydrophobicContact CG-CD1 4.23Å; P394-Y474 HydrophobicContact CG-CG 4.15Å
395	R	84.8	Confident	86.3	Confident	161 Å²	161	23.9 Å²	23.9	61%	0.608	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	145.4	174.1	-61	-164.9	-134.6	176.8	4.7	109.8	E446	R395-E446 VanDerWaalsContact CZ-CG 3.48Å; R395-E446 IonicContact CZ-OE1 3.73Å; R395-E446 IonicContact CZ-OE2 3.6Å; R395-E446 IonicContact NE-OE1 2.68Å; R395-E446 IonicContact NH1-OE1 2.68Å; R395-E446 PolarHBondContact NH1-OE1 2.97Å; R395-E446 IonicContact NH1-OE2 3.72Å; R395-E446 PolarHBondContact NH1-OE2 3.25Å; R395-E446 VanDerWaalsContact NH2-CG 3.34Å; R395-E446 IonicContact NH2-OE1 3.94Å; R395-E446 PolarHBondContact NH2-OE1 2.95Å; R395-E446 IonicContact NH2-OE2 2.7Å; R395-E446 PolarHBondContact NH2-OE2 3.45Å
396	G	83.3	Confident	86.6	Confident	56 Å²	56	22.1 Å²	22.1	58%	0.577	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-8.6	179	0	0	0	0	0	116.3	G398 K496	G396-G398 PolarHBondContact O-N 3.15Å; G396-K496 WeakPolarHBondContact O-CE 3.29Å; G396-K496 PolarHBondContact O-NZ 3Å
397	T	87.8	Confident	86.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.142	C	C	.	.	S	Bend	trans	-74.1	-2.2	178.2	62.2	0	0	0	0	115	P394 D465 S495	P394-T397 HydrophobicContact CB-CG2 4.39Å; P394-T397 HydrophobicContact CG-CG2 3.58Å; P394-T397 PolarHBondContact O-OG1 3.18Å; P394-T397 VanDerWaalsContact O-OG1 3.13Å; T397-D465 HydrophobicContact CG2-CB 4Å; T397-S495 VanDerWaalsContact O-CB 3.26Å; T397-S495 WeakPolarHBondContact O-CB 3.24Å; T397-S495 PolarHBondContact O-OG 3.22Å
398	G	86.6	Confident	85.5	Confident	28 Å²	28	26.6 Å²	26.6	29%	0.289	17%	0.172	S	C	.	.			trans	81.5	22	175.3	0	0	0	0	0	115.5	G396 T400 A401 F402	G396-G398 PolarHBondContact O-N 3.15Å; G398-T400 VanDerWaalsContact C-N 3.33Å; G398-T400 PolarHBondContact O-N 3.25Å; G398-A401 WeakPolarHBondContact O-CA 3.29Å; G398-A401 WeakPolarHBondContact O-CB 3.46Å; G398-A401 PolarHBondContact O-N 2.74Å; G398-F402 PolarHBondContact O-N 2.97Å
399	K	88.1	Confident	84.4	Confident	9 Å²	9	30.6 Å²	30.6	4%	0.039	19%	0.186	C	C	.	.	H	α-helix	trans	-44.2	-52	172.1	-65	-169.9	-61.3	-85.8	0	113	V391 G393 P394 A401 F402 L403 E442 V443 M463	V391-K399 HydrophobicContact CG1-CB 4.2Å; V391-K399 HydrophobicContact CG1-CD 4.42Å; V391-K399 HydrophobicContact CG1-CG 4.12Å; G393-K399 PolarHBondContact O-NZ 3.32Å; P394-K399 PolarHBondContact O-NZ 3.22Å; K399-A401 VanDerWaalsContact C-N 3.29Å; K399-A401 PolarHBondContact O-N 2.82Å; K399-F402 WeakPolarHBondContact O-CB 3.38Å; K399-F402 PolarHBondContact O-N 2.86Å; K399-F402 VanDerWaalsContact O-N 3.1Å; K399-L403 VanDerWaalsContact O-CD1 3.32Å; K399-L403 WeakPolarHBondContact O-CD1 3.27Å; K399-L403 PolarHBondContact O-N 2.6Å; K399-E442 HydrophobicContact CB-CG 3.95Å; K399-E442 WeakPolarHBondContact CB-OE1 3.29Å; K399-E442 HydrophobicContact CD-CG 4.26Å; K399-E442 WeakPolarHBondContact CE-OE1 3.46Å; K399-V443 WeakPolarHBondContact CE-O 3.49Å; K399-M463 HydrophobicContact CG-SD 4.32Å
400	T	85.6	Confident	82.5	Confident	51 Å²	51	33.7 Å²	33.7	31%	0.313	21%	0.207	S	C	.	.	H	α-helix	trans	-59.4	-36.8	177.1	-36.6	0	0	0	0	113	G398 L403 Q404 E442	G398-T400 VanDerWaalsContact C-N 3.33Å; G398-T400 PolarHBondContact O-N 3.25Å; T400-L403 PolarHBondContact O-N 3.13Å; T400-Q404 WeakPolarHBondContact O-CG 3.3Å; T400-Q404 PolarHBondContact O-N 2.8Å; T400-E442 WeakPolarHBondContact CA-OE2 3.25Å; T400-E442 VanDerWaalsContact CB-OE2 3.24Å; T400-E442 WeakPolarHBondContact CB-OE2 3.41Å; T400-E442 PolarHBondContact N-OE1 2.86Å; T400-E442 PolarHBondContact N-OE2 3.35Å; T400-E442 VanDerWaalsContact OG1-CD 3.26Å; T400-E442 PolarHBondContact OG1-OE1 2.91Å; T400-E442 PolarHBondContact OG1-OE2 2.7Å
401	A	85.3	Confident	80.5	Confident	27 Å²	27	36.4 Å²	36.4	22%	0.223	23%	0.225	C	C	.	.	H	α-helix	trans	-69.5	-34.6	177.5	0	0	0	0	0	112.1	G398 K399 Q404 A405 V411	G398-A401 WeakPolarHBondContact O-CA 3.29Å; G398-A401 WeakPolarHBondContact O-CB 3.46Å; G398-A401 PolarHBondContact O-N 2.74Å; K399-A401 VanDerWaalsContact C-N 3.29Å; K399-A401 PolarHBondContact O-N 2.82Å; A401-Q404 PolarHBondContact O-N 3.5Å; A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 3.34Å; A401-V411 HydrophobicContact CB-CG2 4.09Å
402	F	87.4	Confident	78.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-44.7	170.1	-177.4	-102.3	0	0	0	111.3	V391 G398 K399 Q404 A405 F406 L440 M463 F525 I537 Y538 L541	V391-F402 HydrophobicContact CG1-CD1 4.19Å; V391-F402 HydrophobicContact CG2-CD1 4.17Å; V391-F402 HydrophobicContact CG2-CE1 4.13Å; G398-F402 PolarHBondContact O-N 2.97Å; K399-F402 WeakPolarHBondContact O-CB 3.38Å; K399-F402 PolarHBondContact O-N 2.86Å; K399-F402 VanDerWaalsContact O-N 3.1Å; F402-Q404 PolarHBondContact O-N 3Å; F402-A405 PolarHBondContact O-N 2.86Å; F402-F406 PolarHBondContact O-N 3.47Å; F402-L440 HydrophobicContact CD1-CD1 4.21Å; F402-L440 HydrophobicContact CE1-CD1 4.07Å; F402-L440 HydrophobicContact CE1-CD2 4.41Å; F402-M463 HydrophobicContact CB-CE 3.78Å; F402-M463 HydrophobicContact CB-SD 3.87Å; F402-M463 HydrophobicContact CD1-SD 3.94Å; F402-M463 HydrophobicContact CD2-CE 4.07Å; F402-M463 HydrophobicContact CD2-SD 4.4Å; F402-M463 HydrophobicContact CG-CE 3.93Å; F402-M463 HydrophobicContact CG-SD 3.83Å; F402-F525 HydrophobicContact CB-CE1 3.94Å; F402-F525 HydrophobicContact CB-CZ 4.16Å; F402-F525 AromaticContact CD2-CD1 3.91Å; F402-F525 HydrophobicContact CD2-CD1 3.91Å; F402-F525 AromaticContact CD2-CD2 3.83Å; F402-F525 HydrophobicContact CD2-CD2 3.83Å; F402-F525 AromaticContact CD2-CE1 3.83Å; F402-F525 HydrophobicContact CD2-CE1 3.83Å; F402-F525 AromaticContact CD2-CE2 3.75Å; F402-F525 HydrophobicContact CD2-CE2 3.75Å; F402-F525 AromaticContact CD2-CG 3.92Å; F402-F525 HydrophobicContact CD2-CG 3.92Å; F402-F525 AromaticContact CD2-CZ 3.75Å; F402-F525 HydrophobicContact CD2-CZ 3.75Å; F402-F525 HydrophobicContact CE2-CD2 4.14Å; F402-F525 HydrophobicContact CE2-CE2 4.32Å; F402-F525 HydrophobicContact CE2-CG 4.38Å; F402-F525 HydrophobicContact CG-CE1 4.4Å; F402-F525 HydrophobicContact CG-CZ 4.43Å; F402-I537 HydrophobicContact CE2-CG2 4Å; F402-I537 HydrophobicContact CZ-CG2 4.05Å; F402-Y538 HydrophobicContact CD1-CE1 4.29Å; F402-Y538 HydrophobicContact CD2-CE1 4.23Å; F402-Y538 HydrophobicContact CE1-CD1 4.38Å; F402-Y538 AromaticContact CE1-CE1 3.75Å; F402-Y538 HydrophobicContact CE1-CE1 3.75Å; F402-Y538 AromaticContact CE2-CE1 3.68Å; F402-Y538 HydrophobicContact CE2-CE1 3.68Å; F402-Y538 AromaticContact CE2-CZ 3.98Å; F402-Y538 AromaticContact CZ-CD1 3.97Å; F402-Y538 HydrophobicContact CZ-CD1 3.97Å; F402-Y538 AromaticContact CZ-CE1 3.4Å; F402-Y538 HydrophobicContact CZ-CE1 3.4Å; F402-Y538 VanDerWaalsContact CZ-CE1 3.4Å; F402-Y538 PolarHBondContact O-OH 2.89Å; F402-Y538 VanDerWaalsContact O-OH 3.06Å; F402-L541 HydrophobicContact CE1-CD1 4.27Å; F402-L541 HydrophobicContact CZ-CD1 3.87Å
403	L	85.9	Confident	76	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-42.6	174.1	-89.3	73.6	0	0	0	112.9	V391 K399 T400 F406 P423 V425 L440 E442	V391-L403 HydrophobicContact CB-CD1 4.15Å; V391-L403 HydrophobicContact CG1-CD1 4.24Å; V391-L403 HydrophobicContact CG2-CD1 3.95Å; K399-L403 VanDerWaalsContact O-CD1 3.32Å; K399-L403 WeakPolarHBondContact O-CD1 3.27Å; K399-L403 PolarHBondContact O-N 2.6Å; T400-L403 PolarHBondContact O-N 3.13Å; L403-F406 PolarHBondContact O-N 3.46Å; L403-P423 VanDerWaalsContact CD2-O 3.24Å; L403-P423 WeakPolarHBondContact CD2-O 3.5Å; L403-V425 HydrophobicContact CB-CB 4.39Å; L403-V425 HydrophobicContact CB-CG2 3.98Å; L403-V425 HydrophobicContact CD2-CB 4.29Å; L403-V425 HydrophobicContact CD2-CG2 4.04Å; L403-V425 HydrophobicContact CG-CB 4.33Å; L403-V425 HydrophobicContact CG-CG2 4.28Å; L403-L440 HydrophobicContact CD1-CB 4.17Å; L403-L440 HydrophobicContact CD1-CD1 4.42Å; L403-L440 HydrophobicContact CD2-CB 4.39Å; L403-L440 HydrophobicContact CG-CB 3.86Å; L403-L440 HydrophobicContact CG-CD1 4.22Å; L403-E442 HydrophobicContact CD1-CB 4.07Å; L403-E442 HydrophobicContact CD2-CB 3.71Å
404	Q	82.1	Confident	73.7	Confident	29 Å²	29	58 Å²	58	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-35.9	178.5	-66.7	-50.1	-68.5	0	0	112.8	T400 A401 F402 F406 V407 G408 R409	T400-Q404 WeakPolarHBondContact O-CG 3.3Å; T400-Q404 PolarHBondContact O-N 2.8Å; A401-Q404 PolarHBondContact O-N 3.5Å; F402-Q404 PolarHBondContact O-N 3Å; Q404-F406 VanDerWaalsContact C-N 3.26Å; Q404-F406 PolarHBondContact O-N 2.87Å; Q404-V407 WeakPolarHBondContact O-CG2 3.17Å; Q404-V407 PolarHBondContact O-N 3.5Å; Q404-G408 PolarHBondContact O-N 2.88Å; Q404-R409 HydrophobicContact CB-CB 4.24Å; Q404-R409 PolarHBondContact O-N 3.27Å
405	A	82.2	Confident	71.2	Confident	9 Å²	9	59.4 Å²	59.4	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-35	175.2	0	0	0	0	0	112	A401 F402 V407 G408 F525 L530	A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 3.34Å; F402-A405 PolarHBondContact O-N 2.86Å; A405-V407 VanDerWaalsContact C-N 3.27Å; A405-V407 PolarHBondContact O-N 2.91Å; A405-G408 PolarHBondContact O-N 3.36Å; A405-F525 HydrophobicContact CB-CE2 4.36Å; A405-F525 HydrophobicContact CB-CZ 4.01Å; A405-L530 HydrophobicContact CB-CD1 4.37Å
406	F	83.2	Confident	68.8	Low	13 Å²	13	60 Å²	60	6%	0.057	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-25.9	178.2	-174	-134.8	0	0	0	114.3	F402 L403 Q404 V425 N427 V429 L438 L440 Y538	F402-F406 PolarHBondContact O-N 3.47Å; L403-F406 PolarHBondContact O-N 3.46Å; Q404-F406 VanDerWaalsContact C-N 3.26Å; Q404-F406 PolarHBondContact O-N 2.87Å; F406-V425 HydrophobicContact CD1-CG1 4.02Å; F406-N427 HydrophobicContact CD1-CB 4Å; F406-N427 HydrophobicContact CD2-CB 4.42Å; F406-N427 HydrophobicContact CE1-CB 3.51Å; F406-N427 HydrophobicContact CE2-CB 3.95Å; F406-N427 HydrophobicContact CG-CB 4.43Å; F406-N427 HydrophobicContact CZ-CB 3.47Å; F406-N427 VanDerWaalsContact CZ-CB 3.47Å; F406-N427 PolarHBondContact O-ND2 2.91Å; F406-V429 HydrophobicContact CE2-CG1 3.58Å; F406-V429 HydrophobicContact CZ-CG1 3.85Å; F406-L438 HydrophobicContact CE1-CB 4.21Å; F406-L438 WeakPolarHBondContact CE1-O 2.95Å; F406-L438 HydrophobicContact CZ-CB 3.81Å; F406-L438 HydrophobicContact CZ-CD2 4.2Å; F406-L438 HydrophobicContact CZ-CG 4.38Å; F406-L440 HydrophobicContact CB-CD1 3.7Å; F406-L440 HydrophobicContact CD1-CD1 3.45Å; F406-L440 VanDerWaalsContact CD1-CD1 3.45Å; F406-L440 HydrophobicContact CD1-CG 3.72Å; F406-L440 HydrophobicContact CE1-CD1 4.27Å; F406-L440 HydrophobicContact CE1-CG 4.09Å; F406-L440 HydrophobicContact CG-CD1 3.73Å; F406-L440 HydrophobicContact CG-CG 4.43Å; F406-Y538 HydrophobicContact CB-CD1 4.19Å; F406-Y538 HydrophobicContact CB-CE1 3.66Å; F406-Y538 HydrophobicContact CB-CE2 4.31Å; F406-Y538 AromaticContact CD2-CD1 3.5Å; F406-Y538 HydrophobicContact CD2-CD1 3.5Å; F406-Y538 AromaticContact CD2-CD2 3.66Å; F406-Y538 HydrophobicContact CD2-CD2 3.66Å; F406-Y538 AromaticContact CD2-CE1 3.85Å; F406-Y538 HydrophobicContact CD2-CE1 3.85Å; F406-Y538 AromaticContact CD2-CE2 3.99Å; F406-Y538 HydrophobicContact CD2-CE2 3.99Å; F406-Y538 AromaticContact CD2-CG 3.41Å; F406-Y538 HydrophobicContact CD2-CG 3.41Å; F406-Y538 VanDerWaalsContact CD2-CG 3.41Å; F406-Y538 HydrophobicContact CE2-CD1 4.06Å; F406-Y538 HydrophobicContact CE2-CD2 4.27Å; F406-Y538 AromaticContact CE2-CG 3.77Å; F406-Y538 HydrophobicContact CE2-CG 3.77Å; F406-Y538 AromaticContact CG-CD1 3.88Å; F406-Y538 HydrophobicContact CG-CD1 3.88Å; F406-Y538 AromaticContact CG-CE1 3.89Å; F406-Y538 HydrophobicContact CG-CE1 3.89Å; F406-Y538 HydrophobicContact CG-CG 4.25Å; F406-Y538 PolarHBondContact N-OH 2.94Å
407	V	74.3	Confident	66.7	Low	50 Å²	50	60.5 Å²	60.5	30%	0.303	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	20.5	172.7	-74.5	0	0	0	0	113.1	Q404 A405 R409 V425 N427	Q404-V407 WeakPolarHBondContact O-CG2 3.17Å; Q404-V407 PolarHBondContact O-N 3.5Å; A405-V407 VanDerWaalsContact C-N 3.27Å; A405-V407 PolarHBondContact O-N 2.91Å; V407-R409 HydrophobicContact CG2-CG 4.24Å; V407-R409 PolarHBondContact O-N 2.77Å; V407-V425 HydrophobicContact CB-CG1 4.37Å; V407-V425 HydrophobicContact CG1-CG1 3.38Å; V407-V425 HydrophobicContact CG2-CG1 4.17Å; V407-N427 HydrophobicContact CG1-CB 4.35Å
408	G	68.5	Low	64.3	Low	61 Å²	61	66.9 Å²	66.9	63%	0.629	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	16.9	174.5	0	0	0	0	0	114.9	Q404 A405	Q404-G408 PolarHBondContact O-N 2.88Å; A405-G408 PolarHBondContact O-N 3.36Å
409	R	64.8	Low	62.2	Low	102 Å²	102	68.5 Å²	68.5	39%	0.385	42%	0.422	S	S	.	.			trans	-91.5	113.6	179.2	-68.9	177.1	177.6	-175.2	2	110.1	Q404 V407	Q404-R409 HydrophobicContact CB-CB 4.24Å; Q404-R409 PolarHBondContact O-N 3.27Å; V407-R409 HydrophobicContact CG2-CG 4.24Å; V407-R409 PolarHBondContact O-N 2.77Å
410	S	51.9	Low	60.2	Low	65 Å²	65	73 Å²	73	46%	0.455	46%	0.461	S	S	.	.			trans	-70.1	138.5	175.9	178.9	0	0	0	0	112	L412 S413	S410-L412 PolarHBondContact O-N 3.18Å; S410-L412 VanDerWaalsContact O-N 3.08Å; S410-L412 PolarHBondContact OG-N 2.68Å; S410-S413 WeakPolarHBondContact O-CB 3.21Å; S410-S413 PolarHBondContact O-N 3.42Å
411	V	49.9	Very low	59.1	Low	74 Å²	74	77 Å²	77	45%	0.448	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21	175.9	-178.3	0	0	0	0	112.6	A401 S413	A401-V411 HydrophobicContact CB-CG2 4.09Å; V411-S413 VanDerWaalsContact C-N 3.26Å; V411-S413 PolarHBondContact O-N 3.47Å
412	L	44.9	Very low	58.1	Low	147 Å²	147	78.7 Å²	78.7	77%	0.77	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.7	177.6	-65.9	172.1	0	0	0	114	S410 K414	S410-L412 PolarHBondContact O-N 3.18Å; S410-L412 VanDerWaalsContact O-N 3.08Å; S410-L412 PolarHBondContact OG-N 2.68Å; L412-K414 PolarHBondContact O-N 2.68Å
413	S	42.8	Very low	57.7	Low	101 Å²	101	81.7 Å²	81.7	71%	0.706	50%	0.504	S	S	*	.			trans	-77.8	57.5	177.2	-160.5	0	0	0	0	112.9	S410 V411 G415	S410-S413 WeakPolarHBondContact O-CB 3.21Å; S410-S413 PolarHBondContact O-N 3.42Å; V411-S413 VanDerWaalsContact C-N 3.26Å; V411-S413 PolarHBondContact O-N 3.47Å; S413-G415 PolarHBondContact O-N 3.27Å
414	K	40.7	Very low	57.3	Low	208 Å²	208	85 Å²	85	90%	0.904	52%	0.517	S	S	*	.			trans	-79.4	63.5	168.5	-83.1	-175.6	173.6	177.8	0	110.8	L412	L412-K414 PolarHBondContact O-N 2.68Å
415	G	35.2	Very low	57.1	Low	54 Å²	54	84.3 Å²	84.3	56%	0.557	51%	0.514	S	S	*	.	S	Bend	trans	-118.9	95.6	175.9	0	0	0	0	0	112.4	S413 A417	S413-G415 PolarHBondContact O-N 3.27Å; G415-A417 PolarHBondContact O-N 2.79Å
416	N	34.7	Very low	56.9	Low	175 Å²	175	84.7 Å²	84.7	94%	0.936	52%	0.515	S	S	*	.	S	Bend	trans	46.5	49.7	161.2	-67.2	-7.3	0	0	0	118.1
417	A	38.6	Very low	56.7	Low	65 Å²	65	86.5 Å²	86.5	54%	0.537	53%	0.525	S	S	.	.			trans	-112.3	87.9	168.7	0	0	0	0	0	111.6	G415 S419	G415-A417 PolarHBondContact O-N 2.79Å; A417-S419 PolarHBondContact O-N 3.04Å; A417-S419 VanDerWaalsContact O-N 3.14Å
418	S	36.9	Very low	57	Low	135 Å²	135	86 Å²	86	94%	0.944	52%	0.523	S	S	*	.			trans	-80	42.4	162.5	48.8	0	0	0	0	111.5
419	S	42.6	Very low	57.7	Low	63 Å²	63	83.6 Å²	83.6	44%	0.441	50%	0.496	S	S	.	.	S	Bend	trans	-98.5	138.2	172.3	54.4	0	0	0	0	110	A417 F421	A417-S419 PolarHBondContact O-N 3.04Å; A417-S419 VanDerWaalsContact O-N 3.14Å; S419-F421 PolarHBondContact O-N 3.25Å
420	A	47.2	Very low	58.6	Low	104 Å²	104	85.3 Å²	85.3	86%	0.86	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-63	123.5	171.4	0	0	0	0	0	109.1	S422	A420-S422 PolarHBondContact O-N 3.45Å
421	F	63	Low	60	Low	134 Å²	134	83.3 Å²	83.3	59%	0.588	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-65.3	132.2	176.1	-66.4	-80.8	0	0	0	109.7	S419	S419-F421 PolarHBondContact O-N 3.25Å
422	S	64	Low	61.3	Low	63 Å²	63	82.4 Å²	82.4	44%	0.441	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-69.4	131.3	171.3	172.8	0	0	0	0	109.2	A420 Y424	A420-S422 PolarHBondContact O-N 3.45Å; S422-Y424 WeakPolarHBondContact CB-O 3.43Å; S422-Y424 PolarHBondContact O-N 3.18Å; S422-Y424 PolarHBondContact OG-N 2.98Å; S422-Y424 VanDerWaalsContact OG-N 3.11Å; S422-Y424 PolarHBondContact OG-O 3.24Å
423	P	77.8	Confident	62.8	Low	63 Å²	63	83.5 Å²	83.5	41%	0.409	51%	0.505	S	S	.	.	S	Bend	trans	-68.3	-15.4	171.3	28.4	-33	0	0	0	112	L403 N441 E442	L403-P423 VanDerWaalsContact CD2-O 3.24Å; L403-P423 WeakPolarHBondContact CD2-O 3.5Å; P423-N441 CarbonylContact O-C 3.53Å; P423-N441 WeakPolarHBondContact O-CA 3.48Å; P423-E442 PolarHBondContact O-N 3.35Å
424	Y	78	Confident	64.4	Low	69 Å²	69	83.5 Å²	83.5	27%	0.271	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.7	175.1	-65.1	-88.6	0	0	0	112.2	L334 L338 S422 I439 L440 N441	L334-Y424 HydrophobicContact CD1-CD1 4.5Å; L338-Y424 HydrophobicContact CD1-CD1 4.04Å; L338-Y424 HydrophobicContact CD1-CD2 3.93Å; L338-Y424 HydrophobicContact CD1-CE1 4.24Å; L338-Y424 HydrophobicContact CD1-CE2 4.16Å; L338-Y424 HydrophobicContact CD1-CG 3.88Å; L338-Y424 HydrophobicContact CD2-CD1 4.09Å; L338-Y424 HydrophobicContact CD2-CE1 3.62Å; S422-Y424 WeakPolarHBondContact CB-O 3.43Å; S422-Y424 PolarHBondContact O-N 3.18Å; S422-Y424 PolarHBondContact OG-N 2.98Å; S422-Y424 VanDerWaalsContact OG-N 3.11Å; S422-Y424 PolarHBondContact OG-O 3.24Å; Y424-I439 HydrophobicContact CD1-CG2 4.13Å; Y424-L440 WeakPolarHBondContact CA-O 3.26Å; Y424-N441 HydrophobicContact CD1-CB 3.78Å; Y424-N441 HydrophobicContact CE1-CB 3.56Å; Y424-N441 WeakPolarHBondContact CE1-OD1 3.49Å; Y424-N441 VanDerWaalsContact CZ-CG 3.5Å; Y424-N441 PolarHBondContact OH-ND2 3.4Å
425	V	78.9	Confident	66.3	Low	15 Å²	15	79.2 Å²	79.2	9%	0.091	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.3	167.8	171.7	0	0	0	0	108.9	L403 F406 V407 I439 L440	L403-V425 HydrophobicContact CB-CB 4.39Å; L403-V425 HydrophobicContact CB-CG2 3.98Å; L403-V425 HydrophobicContact CD2-CB 4.29Å; L403-V425 HydrophobicContact CD2-CG2 4.04Å; L403-V425 HydrophobicContact CG-CB 4.33Å; L403-V425 HydrophobicContact CG-CG2 4.28Å; F406-V425 HydrophobicContact CD1-CG1 4.02Å; V407-V425 HydrophobicContact CB-CG1 4.37Å; V407-V425 HydrophobicContact CG1-CG1 3.38Å; V407-V425 HydrophobicContact CG2-CG1 4.17Å; V425-I439 CarbonylContact O-C 3.58Å; V425-I439 WeakPolarHBondContact O-CA 3.41Å; V425-L440 PolarHBondContact N-O 2.74Å; V425-L440 PolarHBondContact O-N 3.11Å
426	I	77.9	Confident	68.5	Low	17 Å²	17	77.6 Å²	77.6	9%	0.087	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.6	176.9	179.8	172.9	0	0	0	109.1	C330 R333 L334 Y437 L438 I439	C330-I426 HydrophobicContact CB-CG1 4.39Å; C330-I426 HydrophobicContact CB-CG2 3.8Å; R333-I426 HydrophobicContact CB-CD1 4.36Å; R333-I426 HydrophobicContact CG-CD1 4.25Å; L334-I426 HydrophobicContact CB-CB 4.47Å; L334-I426 HydrophobicContact CB-CD1 4.25Å; L334-I426 HydrophobicContact CB-CG2 3.86Å; L334-I426 HydrophobicContact CD2-CG2 4Å; L334-I426 HydrophobicContact CG-CG2 4.39Å; I426-Y437 HydrophobicContact CD1-CD1 4.04Å; I426-Y437 HydrophobicContact CG1-CD1 4.29Å; I426-L438 WeakPolarHBondContact CA-O 3.49Å; I426-I439 HydrophobicContact CB-CG1 4.26Å; I426-I439 HydrophobicContact CD1-CD1 4.32Å; I426-I439 HydrophobicContact CD1-CG1 3.83Å; I426-I439 HydrophobicContact CG1-CG1 3.98Å
427	N	78.4	Confident	70.7	Confident	51 Å²	51	71.3 Å²	71.3	27%	0.273	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.4	170.4	-158.6	5.2	0	0	0	109.5	F406 V407 L438	F406-N427 HydrophobicContact CD1-CB 4Å; F406-N427 HydrophobicContact CD2-CB 4.42Å; F406-N427 HydrophobicContact CE1-CB 3.51Å; F406-N427 HydrophobicContact CE2-CB 3.95Å; F406-N427 HydrophobicContact CG-CB 4.43Å; F406-N427 HydrophobicContact CZ-CB 3.47Å; F406-N427 VanDerWaalsContact CZ-CB 3.47Å; F406-N427 PolarHBondContact O-ND2 2.91Å; V407-N427 HydrophobicContact CG1-CB 4.35Å; N427-L438 PolarHBondContact N-O 2.81Å; N427-L438 PolarHBondContact O-N 3.39Å
428	T	79.4	Confident	73	Confident	41 Å²	41	68.2 Å²	68.2	25%	0.252	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	153.3	174.2	66	0	0	0	0	112.5	E435 K436 Y437	T428-E435 WeakPolarHBondContact CB-OE1 3.42Å; T428-E435 HydrophobicContact CG2-CG 4.08Å; T428-E435 VanDerWaalsContact CG2-OE1 3.3Å; T428-E435 WeakPolarHBondContact CG2-OE1 3.22Å; T428-E435 PolarHBondContact OG1-OE1 3.38Å; T428-K436 CarbonylContact C-O 3.51Å; T428-K436 WeakPolarHBondContact CA-O 3.46Å; T428-Y437 HydrophobicContact CG2-CD1 3.89Å; T428-Y437 HydrophobicContact CG2-CD2 4.32Å; T428-Y437 HydrophobicContact CG2-CE1 3.56Å; T428-Y437 HydrophobicContact CG2-CE2 3.95Å; T428-Y437 HydrophobicContact CG2-CG 4.26Å
429	V	85.1	Confident	75.3	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.5	176.6	-72.3	0	0	0	0	109.3	F406 I431 K436 L438 A542	F406-V429 HydrophobicContact CE2-CG1 3.58Å; F406-V429 HydrophobicContact CZ-CG1 3.85Å; V429-I431 HydrophobicContact CG2-CD1 4.47Å; V429-K436 HydrophobicContact CG2-CB 4.35Å; V429-K436 WeakPolarHBondContact CG2-O 3.46Å; V429-K436 PolarHBondContact N-O 2.99Å; V429-K436 PolarHBondContact O-N 2.82Å; V429-L438 HydrophobicContact CG1-CB 4.23Å; V429-L438 HydrophobicContact CG1-CD2 4.39Å; V429-L438 HydrophobicContact CG2-CB 4Å; V429-A542 HydrophobicContact CG2-CB 3.59Å
430	Q	82.4	Confident	77.4	Confident	138 Å²	138	58.8 Å²	58.8	65%	0.645	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.8	179.1	-165.9	168.9	-4.7	0	0	110.8	G432 S539	Q430-G432 WeakPolarHBondContact CG-O 3.08Å; Q430-G432 PolarHBondContact NE2-O 3.03Å; Q430-S539 PolarHBondContact O-OG 2.73Å
431	I	82	Confident	79.4	Confident	22 Å²	22	54.6 Å²	54.6	11%	0.113	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	94.4	-177.5	-54.6	171.2	0	0	0	107.4	V429 N433 Q434 K436 A542 W543 M546	V429-I431 HydrophobicContact CG2-CD1 4.47Å; I431-N433 PolarHBondContact O-N 3.49Å; I431-Q434 PolarHBondContact N-O 3.09Å; I431-Q434 PolarHBondContact O-N 3.01Å; I431-Q434 VanDerWaalsContact O-N 3.12Å; I431-K436 HydrophobicContact CD1-CB 4.2Å; I431-K436 HydrophobicContact CD1-CG 4.04Å; I431-A542 HydrophobicContact CD1-CB 3.58Å; I431-W543 HydrophobicContact CG2-CB 4.4Å; I431-M546 HydrophobicContact CB-SD 4.4Å; I431-M546 HydrophobicContact CD1-CG 4.45Å; I431-M546 HydrophobicContact CD1-SD 3.48Å; I431-M546 WeakPolarHBondContact CD1-SD 3.49Å; I431-M546 HydrophobicContact CG2-SD 4.14Å
432	G	77.9	Confident	80.5	Confident	55 Å²	55	49.9 Å²	49.9	57%	0.567	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	-124.8	-167.9	0	0	0	0	0	110.9	Q430	Q430-G432 WeakPolarHBondContact CG-O 3.08Å; Q430-G432 PolarHBondContact NE2-O 3.03Å
433	N	75.3	Confident	81.5	Confident	171 Å²	171	47.9 Å²	47.9	91%	0.914	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	14	177.9	-67	10.5	0	0	0	113.2	I431	I431-N433 PolarHBondContact O-N 3.49Å
434	Q	76.1	Confident	81.1	Confident	100 Å²	100	49.2 Å²	49.2	47%	0.467	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.6	177	-63.2	-170	-3.8	0	0	111	I431	I431-Q434 PolarHBondContact N-O 3.09Å; I431-Q434 PolarHBondContact O-N 3.01Å; I431-Q434 VanDerWaalsContact O-N 3.12Å
435	E	80.1	Confident	80.4	Confident	119 Å²	119	47.8 Å²	47.8	56%	0.556	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.9	165	-172.6	176.3	-148.4	0	0	109.4	T428	T428-E435 WeakPolarHBondContact CB-OE1 3.42Å; T428-E435 HydrophobicContact CG2-CG 4.08Å; T428-E435 VanDerWaalsContact CG2-OE1 3.3Å; T428-E435 WeakPolarHBondContact CG2-OE1 3.22Å; T428-E435 PolarHBondContact OG1-OE1 3.38Å
436	K	83.1	Confident	79.4	Confident	19 Å²	19	51.9 Å²	51.9	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.6	179.2	-62.1	-65.5	-174	174.1	0	109.7	R384 F387 T428 V429 I431 M546	R384-K436 PolarHBondContact O-NZ 3.26Å; F387-K436 HydrophobicContact CD2-CB 4.41Å; F387-K436 HydrophobicContact CE2-CB 4.14Å; F387-K436 HydrophobicContact CE2-CD 4.03Å; F387-K436 HydrophobicContact CE2-CG 4.09Å; T428-K436 CarbonylContact C-O 3.51Å; T428-K436 WeakPolarHBondContact CA-O 3.46Å; V429-K436 HydrophobicContact CG2-CB 4.35Å; V429-K436 WeakPolarHBondContact CG2-O 3.46Å; V429-K436 PolarHBondContact N-O 2.99Å; V429-K436 PolarHBondContact O-N 2.82Å; I431-K436 HydrophobicContact CD1-CB 4.2Å; I431-K436 HydrophobicContact CD1-CG 4.04Å; K436-M546 HydrophobicContact CD-SD 4.4Å; K436-M546 HydrophobicContact CG-SD 3.91Å
437	Y	80.3	Confident	77.9	Confident	44 Å²	44	59.3 Å²	59.3	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.5	176.4	-68.1	-106.4	0	0	0	109	S385 A386 F387 I426 T428	S385-Y437 PolarHBondContact O-N 3.46Å; A386-Y437 CarbonylContact C-O 3.56Å; A386-Y437 VanDerWaalsContact CA-O 3.29Å; A386-Y437 WeakPolarHBondContact CA-O 3.24Å; F387-Y437 PolarHBondContact N-O 3.42Å; I426-Y437 HydrophobicContact CD1-CD1 4.04Å; I426-Y437 HydrophobicContact CG1-CD1 4.29Å; T428-Y437 HydrophobicContact CG2-CD1 3.89Å; T428-Y437 HydrophobicContact CG2-CD2 4.32Å; T428-Y437 HydrophobicContact CG2-CE1 3.56Å; T428-Y437 HydrophobicContact CG2-CE2 3.95Å; T428-Y437 HydrophobicContact CG2-CG 4.26Å
438	L	85.7	Confident	76.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.8	171.6	-176.2	65.4	0	0	0	108.1	F387 C389 F406 I426 N427 V429 L440 Y538 L541 A542	F387-L438 HydrophobicContact CB-CD1 4.43Å; C389-L438 HydrophobicContact CB-CD1 3.85Å; C389-L438 HydrophobicContact CB-CG 4.48Å; F406-L438 HydrophobicContact CE1-CB 4.21Å; F406-L438 WeakPolarHBondContact CE1-O 2.95Å; F406-L438 HydrophobicContact CZ-CB 3.81Å; F406-L438 HydrophobicContact CZ-CD2 4.2Å; F406-L438 HydrophobicContact CZ-CG 4.38Å; I426-L438 WeakPolarHBondContact CA-O 3.49Å; N427-L438 PolarHBondContact N-O 2.81Å; N427-L438 PolarHBondContact O-N 3.39Å; V429-L438 HydrophobicContact CG1-CB 4.23Å; V429-L438 HydrophobicContact CG1-CD2 4.39Å; V429-L438 HydrophobicContact CG2-CB 4Å; L438-L440 HydrophobicContact CD2-CD2 3.85Å; L438-L440 HydrophobicContact CG-CD2 3.98Å; L438-Y538 HydrophobicContact CD2-CD1 4.39Å; L438-L541 HydrophobicContact CD2-CB 4.27Å; L438-A542 HydrophobicContact CD1-CB 4.11Å; L438-A542 HydrophobicContact CD2-CB 4.47Å
439	I	85.4	Confident	75.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.3	174.1	-58.5	171.6	0	0	0	106.7	L334 Y337 F387 L388 C389 Y424 V425 I426	L334-I439 HydrophobicContact CD1-CD1 4.1Å; L334-I439 HydrophobicContact CD1-CG1 4.28Å; L334-I439 HydrophobicContact CD1-CG2 3.64Å; Y337-I439 HydrophobicContact CD1-CD1 3.65Å; Y337-I439 HydrophobicContact CD2-CD1 3.94Å; Y337-I439 HydrophobicContact CE1-CD1 4.1Å; Y337-I439 HydrophobicContact CE2-CD1 4.35Å; Y337-I439 HydrophobicContact CG-CD1 3.58Å; F387-I439 PolarHBondContact O-N 3.29Å; L388-I439 HydrophobicContact CD1-CB 4.12Å; L388-I439 HydrophobicContact CD1-CG2 3.77Å; C389-I439 PolarHBondContact N-O 2.76Å; Y424-I439 HydrophobicContact CD1-CG2 4.13Å; V425-I439 CarbonylContact O-C 3.58Å; V425-I439 WeakPolarHBondContact O-CA 3.41Å; I426-I439 HydrophobicContact CB-CG1 4.26Å; I426-I439 HydrophobicContact CD1-CD1 4.32Å; I426-I439 HydrophobicContact CD1-CG1 3.83Å; I426-I439 HydrophobicContact CG1-CG1 3.98Å
440	L	87.4	Confident	74.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.6	170.4	-57.5	-175.2	0	0	0	108.9	C389 V391 F402 L403 F406 Y424 V425 L438 Y538	C389-L440 HydrophobicContact CB-CD2 3.76Å; V391-L440 HydrophobicContact CG2-CB 4.36Å; V391-L440 HydrophobicContact CG2-CD2 4.33Å; F402-L440 HydrophobicContact CD1-CD1 4.21Å; F402-L440 HydrophobicContact CE1-CD1 4.07Å; F402-L440 HydrophobicContact CE1-CD2 4.41Å; L403-L440 HydrophobicContact CD1-CB 4.17Å; L403-L440 HydrophobicContact CD1-CD1 4.42Å; L403-L440 HydrophobicContact CD2-CB 4.39Å; L403-L440 HydrophobicContact CG-CB 3.86Å; L403-L440 HydrophobicContact CG-CD1 4.22Å; F406-L440 HydrophobicContact CB-CD1 3.7Å; F406-L440 HydrophobicContact CD1-CD1 3.45Å; F406-L440 VanDerWaalsContact CD1-CD1 3.45Å; F406-L440 HydrophobicContact CD1-CG 3.72Å; F406-L440 HydrophobicContact CE1-CD1 4.27Å; F406-L440 HydrophobicContact CE1-CG 4.09Å; F406-L440 HydrophobicContact CG-CD1 3.73Å; F406-L440 HydrophobicContact CG-CG 4.43Å; Y424-L440 WeakPolarHBondContact CA-O 3.26Å; V425-L440 PolarHBondContact N-O 2.74Å; V425-L440 PolarHBondContact O-N 3.11Å; L438-L440 HydrophobicContact CD2-CD2 3.85Å; L438-L440 HydrophobicContact CG-CD2 3.98Å; L440-Y538 HydrophobicContact CD1-CD1 4.2Å; L440-Y538 HydrophobicContact CD1-CE1 3.9Å
441	N	88.8	Confident	73.5	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.08	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114	171.2	-177.3	21.6	0	0	0	109.4	L388 C389 K390 V391 P423 Y424 V443	L388-N441 HydrophobicContact CD1-CB 4.06Å; C389-N441 PolarHBondContact O-N 3.3Å; K390-N441 HydrophobicContact CG-CB 4.42Å; V391-N441 PolarHBondContact N-O 3Å; P423-N441 CarbonylContact O-C 3.53Å; P423-N441 WeakPolarHBondContact O-CA 3.48Å; Y424-N441 HydrophobicContact CD1-CB 3.78Å; Y424-N441 HydrophobicContact CE1-CB 3.56Å; Y424-N441 WeakPolarHBondContact CE1-OD1 3.49Å; Y424-N441 VanDerWaalsContact CZ-CG 3.5Å; Y424-N441 PolarHBondContact OH-ND2 3.4Å; N441-V443 PolarHBondContact O-N 3.09Å
442	E	87.4	Confident	72.6	Confident	35 Å²	35	73.9 Å²	73.9	16%	0.164	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.1	170.7	175	164.3	-163.2	0	0	109.6	K399 T400 L403 P423	K399-E442 HydrophobicContact CB-CG 3.95Å; K399-E442 WeakPolarHBondContact CB-OE1 3.29Å; K399-E442 HydrophobicContact CD-CG 4.26Å; K399-E442 WeakPolarHBondContact CE-OE1 3.46Å; T400-E442 WeakPolarHBondContact CA-OE2 3.25Å; T400-E442 VanDerWaalsContact CB-OE2 3.24Å; T400-E442 WeakPolarHBondContact CB-OE2 3.41Å; T400-E442 PolarHBondContact N-OE1 2.86Å; T400-E442 PolarHBondContact N-OE2 3.35Å; T400-E442 VanDerWaalsContact OG1-CD 3.26Å; T400-E442 PolarHBondContact OG1-OE1 2.91Å; T400-E442 PolarHBondContact OG1-OE2 2.7Å; L403-E442 HydrophobicContact CD1-CB 4.07Å; L403-E442 HydrophobicContact CD2-CB 3.71Å; P423-E442 PolarHBondContact O-N 3.35Å
443	V	84.7	Confident	71.7	Confident	21 Å²	21	74.9 Å²	74.9	13%	0.127	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.7	174.5	-169.8	0	0	0	0	108.3	K390 V391 I392 K399 N441 V445 L450	K390-V443 HydrophobicContact CB-CG2 4.11Å; K390-V443 HydrophobicContact CD-CG2 4.44Å; K390-V443 HydrophobicContact CG-CG2 4.18Å; V391-V443 PolarHBondContact O-N 2.85Å; I392-V443 HydrophobicContact CG1-CB 4.14Å; I392-V443 HydrophobicContact CG1-CG2 3.96Å; K399-V443 WeakPolarHBondContact CE-O 3.49Å; N441-V443 PolarHBondContact O-N 3.09Å; V443-V445 HydrophobicContact CG1-CG2 4.07Å; V443-L450 HydrophobicContact CG1-CD2 3.91Å
444	D	69.8	Low	71.3	Confident	92 Å²	92	69.9 Å²	69.9	49%	0.492	36%	0.356	S	S	.	.			trans	-79.4	129.2	165.8	-162.2	5.5	0	0	0	109.2
445	V	63.2	Low	71.2	Confident	39 Å²	39	65.6 Å²	65.6	24%	0.236	34%	0.338	C	S	.	.			trans	-111	62.8	-178.3	-165.5	0	0	0	0	108.5	V443 Y474	V443-V445 HydrophobicContact CG1-CG2 4.07Å; V445-Y474 WeakPolarHBondContact CB-OH 3.43Å; V445-Y474 WeakPolarHBondContact CG1-OH 3.44Å; V445-Y474 VanDerWaalsContact CG2-OH 3.25Å; V445-Y474 WeakPolarHBondContact CG2-OH 3.43Å
446	E	57.9	Low	71.3	Confident	100 Å²	100	62.6 Å²	62.6	47%	0.467	33%	0.334	S	S	.	.			trans	-88.2	104.5	164	-65.1	-141.3	-158.3	0	0	109.1	R395	R395-E446 VanDerWaalsContact CZ-CG 3.48Å; R395-E446 IonicContact CZ-OE1 3.73Å; R395-E446 IonicContact CZ-OE2 3.6Å; R395-E446 IonicContact NE-OE1 2.68Å; R395-E446 IonicContact NH1-OE1 2.68Å; R395-E446 PolarHBondContact NH1-OE1 2.97Å; R395-E446 IonicContact NH1-OE2 3.72Å; R395-E446 PolarHBondContact NH1-OE2 3.25Å; R395-E446 VanDerWaalsContact NH2-CG 3.34Å; R395-E446 IonicContact NH2-OE1 3.94Å; R395-E446 PolarHBondContact NH2-OE1 2.95Å; R395-E446 IonicContact NH2-OE2 2.7Å; R395-E446 PolarHBondContact NH2-OE2 3.45Å
447	M	46.3	Very low	71.5	Confident	174 Å²	174	62 Å²	62	86%	0.857	33%	0.332	S	S	*	.	S	Bend	trans	77.9	116.2	177.7	-51.8	-172.8	179.4	0	0	116.4
448	E	50.3	Low	71.9	Confident	178 Å²	178	60.5 Å²	60.5	83%	0.832	33%	0.327	S	S	*	.	S	Bend	trans	65.5	160.9	166.1	-59	-174.4	149.5	0	0	117.3
449	F	55.5	Low	72.2	Confident	142 Å²	142	60.5 Å²	60.5	62%	0.623	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-63	149.2	-170.6	-62.2	-86	0	0	0	112.4	K451 Q481	F449-K451 PolarHBondContact O-N 2.87Å; F449-Q481 VanDerWaalsContact CD1-OE1 3.31Å
450	L	63.6	Low	72.6	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.068	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-54.5	124.8	175.4	-71.1	165.6	0	0	0	109.9	I392 V443 D454 I478 H482	I392-L450 HydrophobicContact CD1-CD1 4.06Å; I392-L450 HydrophobicContact CG2-CD1 4.44Å; V443-L450 HydrophobicContact CG1-CD2 3.91Å; L450-D454 HydrophobicContact CD2-CB 4.07Å; L450-I478 HydrophobicContact CD1-CD1 4.19Å; L450-I478 HydrophobicContact CD1-CG2 3.83Å; L450-H482 PolarHBondContact O-CE1 3.03Å; L450-H482 PolarHBondContact O-ND1 3.1Å
451	K	63.3	Low	72.9	Confident	144 Å²	144	60.5 Å²	60.5	63%	0.626	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.5	157.7	170	-60.4	170.4	-176.9	167.4	0	108.7	F449 S453 D454 A455	F449-K451 PolarHBondContact O-N 2.87Å; K451-S453 PolarHBondContact O-N 2.9Å; K451-D454 HydrophobicContact CB-CB 4.39Å; K451-D454 WeakPolarHBondContact CB-OD2 3.34Å; K451-D454 CarbonylContact O-C 3.56Å; K451-D454 WeakPolarHBondContact O-CA 3.35Å; K451-D454 WeakPolarHBondContact O-CB 3.39Å; K451-D454 PolarHBondContact O-N 2.89Å; K451-A455 PolarHBondContact O-N 2.81Å
452	A	61.9	Low	73.1	Confident	90 Å²	90	59.8 Å²	59.8	74%	0.744	32%	0.323	S	S	*	.	H	α-helix	trans	-57.9	-32.6	177.7	0	0	0	0	0	112.8	D454 A456	A452-D454 VanDerWaalsContact C-N 3.29Å; A452-D454 PolarHBondContact O-N 2.83Å; A452-A456 PolarHBondContact O-N 2.83Å
453	S	59.4	Low	73.4	Confident	77 Å²	77	58.1 Å²	58.1	54%	0.538	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-37.9	168.7	52.3	0	0	0	0	113	K390 K451 A456	K390-S453 PolarHBondContact NZ-O 3.49Å; K451-S453 PolarHBondContact O-N 2.9Å; S453-A456 WeakPolarHBondContact O-CB 3.34Å; S453-A456 PolarHBondContact O-N 3.23Å
454	D	67.9	Low	73.8	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-85.4	-18.1	-171.8	-50.5	-15.4	0	0	0	110.6	K390 L450 K451 A452	K390-D454 WeakPolarHBondContact CD-O 3.47Å; K390-D454 WeakPolarHBondContact CE-O 3.33Å; K390-D454 VanDerWaalsContact NZ-C 3.26Å; K390-D454 PolarHBondContact NZ-O 3.32Å; L450-D454 HydrophobicContact CD2-CB 4.07Å; K451-D454 HydrophobicContact CB-CB 4.39Å; K451-D454 WeakPolarHBondContact CB-OD2 3.34Å; K451-D454 CarbonylContact O-C 3.56Å; K451-D454 WeakPolarHBondContact O-CA 3.35Å; K451-D454 WeakPolarHBondContact O-CB 3.39Å; K451-D454 PolarHBondContact O-N 2.89Å; A452-D454 VanDerWaalsContact C-N 3.29Å; A452-D454 PolarHBondContact O-N 2.83Å
455	A	74.1	Confident	74.8	Confident	10 Å²	10	53.4 Å²	53.4	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-76.3	-26	166.9	0	0	0	0	0	113.7	K451 C457 H482 Y483	K451-A455 PolarHBondContact O-N 2.81Å; A455-C457 PolarHBondContact O-N 2.89Å; A455-C457 PolarHBondContact O-SG 3.49Å; A455-H482 HydrophobicContact CB-CB 4.08Å; A455-Y483 WeakPolarHBondContact CA-OH 3.49Å; A455-Y483 HydrophobicContact CB-CE1 4.34Å; A455-Y483 WeakPolarHBondContact O-CE1 3.29Å; A455-Y483 PolarHBondContact O-OH 3.31Å
456	A	81.3	Confident	76.1	Confident	56 Å²	56	51.9 Å²	51.9	46%	0.463	28%	0.28	S	S	.	.			trans	-66.6	118.7	-172.1	0	0	0	0	0	113.5	K390 A452 S453	K390-A456 VanDerWaalsContact CE-O 3.24Å; K390-A456 WeakPolarHBondContact CE-O 3.37Å; K390-A456 PolarHBondContact NZ-O 3.34Å; A452-A456 PolarHBondContact O-N 2.83Å; S453-A456 WeakPolarHBondContact O-CB 3.34Å; S453-A456 PolarHBondContact O-N 3.23Å
457	C	87.6	Confident	77.6	Confident	7 Å²	7	49.1 Å²	49.1	5%	0.047	27%	0.272	C	S	.	.	S	Bend	trans	-159	178.9	175.2	53.9	0	0	0	0	110.8	K373 L388 K390 A455 V459	K373-C457 PolarHBondContact NZ-O 3Å; L388-C457 HydrophobicContact CD2-CB 4.28Å; L388-C457 HydrophobicContact CG-CB 4.21Å; L388-C457 WeakPolarHBondContact O-CB 3.24Å; K390-C457 HydrophobicContact CB-CB 4.2Å; K390-C457 HydrophobicContact CD-CB 3.88Å; K390-C457 HydrophobicContact CG-CB 3.84Å; A455-C457 PolarHBondContact O-N 2.89Å; A455-C457 PolarHBondContact O-SG 3.49Å; C457-V459 VanDerWaalsContact SG-C 3.55Å; C457-V459 PolarHBondContact SG-O 3.43Å
458	D	89.4	Confident	79.7	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.059	25%	0.245	C	C	.	.	S	Bend	trans	-89.2	-25.1	174.5	-58.2	-48.7	0	0	0	112.9	K373 R384 F387 L388 P489 A545	K373-D458 IonicContact NZ-OD1 2.78Å; K373-D458 PolarHBondContact NZ-OD1 3.14Å; R384-D458 IonicContact NH1-OD1 3.62Å; F387-D458 HydrophobicContact CB-CB 4.25Å; F387-D458 HydrophobicContact CD1-CB 4.27Å; L388-D458 PolarHBondContact N-OD2 2.94Å; L388-D458 WeakPolarHBondContact O-CA 3.46Å; L388-D458 PolarHBondContact O-N 3.34Å; D458-P489 VanDerWaalsContact O-CD 3.27Å; D458-P489 WeakPolarHBondContact O-CD 3.38Å; D458-P489 VanDerWaalsContact O-CG 3.3Å; D458-P489 WeakPolarHBondContact O-CG 3.48Å; D458-A545 HydrophobicContact CB-CB 3.93Å
459	V	92.1	Very high	81.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.4	169	60.2	0	0	0	0	110	L388 C389 K390 C457 P489 V491 L541 A544 A545	L388-V459 PolarHBondContact O-N 3.37Å; L388-V459 VanDerWaalsContact O-N 3.16Å; C389-V459 VanDerWaalsContact CA-O 3.32Å; C389-V459 WeakPolarHBondContact CA-O 3.41Å; C389-V459 HydrophobicContact CB-CG1 3.57Å; K390-V459 PolarHBondContact N-O 2.85Å; K390-V459 VanDerWaalsContact N-O 3.12Å; C457-V459 VanDerWaalsContact SG-C 3.55Å; C457-V459 PolarHBondContact SG-O 3.43Å; V459-P489 WeakPolarHBondContact CA-O 3.26Å; V459-P489 HydrophobicContact CB-CG 4.22Å; V459-P489 HydrophobicContact CG2-CG 4.29Å; V459-P489 WeakPolarHBondContact CG2-O 3.3Å; V459-V491 HydrophobicContact CG2-CG2 4.25Å; V459-L541 HydrophobicContact CG1-CB 4.37Å; V459-L541 HydrophobicContact CG1-CD2 4.43Å; V459-L541 HydrophobicContact CG2-CD2 3.86Å; V459-A544 HydrophobicContact CG2-CB 4.18Å; V459-A545 HydrophobicContact CB-CB 4.13Å; V459-A545 HydrophobicContact CG1-CB 4.14Å
460	A	92.6	Very high	83.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.6	172.7	0	0	0	0	0	110.4	Y483 V488 P489 C490 V491	A460-Y483 HydrophobicContact CB-CD1 4.28Å; A460-Y483 HydrophobicContact CB-CE1 3.85Å; A460-Y483 HydrophobicContact CB-CE2 4.16Å; A460-V488 HydrophobicContact CB-CG1 4.33Å; A460-P489 PolarHBondContact N-O 3.42Å; A460-C490 WeakPolarHBondContact O-CA 3.42Å; A460-V491 PolarHBondContact O-N 3.42Å
461	C	94.1	Very high	84.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.3	174	-178.3	0	0	0	0	108.7	K390 V391 I392 V493 L541	K390-C461 PolarHBondContact O-N 2.95Å; V391-C461 HydrophobicContact CG2-CB 4.25Å; I392-C461 PolarHBondContact N-O 2.88Å; C461-V493 VanDerWaalsContact SG-CG2 3.59Å; C461-L541 HydrophobicContact CB-CD1 4.43Å; C461-L541 HydrophobicContact CB-CD2 3.91Å
462	L	93.2	Very high	85.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	100.4	-178.8	-60.2	177.5	0	0	0	109.1	I392 C475 I478 Y479 C490 V491 L492 V493	I392-L462 HydrophobicContact CB-CD2 4.25Å; I392-L462 WeakPolarHBondContact O-CA 3.26Å; L462-C475 HydrophobicContact CB-CB 4.27Å; L462-I478 HydrophobicContact CD2-CG2 4.16Å; L462-Y479 HydrophobicContact CD1-CD2 4.29Å; L462-C490 HydrophobicContact CD1-CB 4.37Å; L462-V491 PolarHBondContact N-O 2.78Å; L462-L492 HydrophobicContact CB-CD1 4.33Å; L462-L492 HydrophobicContact CB-CG 4.2Å; L462-L492 HydrophobicContact CD1-CD1 4.02Å; L462-L492 WeakPolarHBondContact O-CA 3.43Å; L462-V493 PolarHBondContact O-N 2.95Å
463	M	92.7	Very high	87.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.2	-175.4	-68.1	-164.7	74.4	0	0	112.1	V391 I392 G393 K399 F402 C475 V493 F525	V391-M463 HydrophobicContact CG1-CG 3.93Å; V391-M463 HydrophobicContact CG1-SD 3.35Å; V391-M463 WeakPolarHBondContact CG1-SD 3.43Å; I392-M463 PolarHBondContact O-N 3.35Å; G393-M463 WeakPolarHBondContact CA-O 3.46Å; K399-M463 HydrophobicContact CG-SD 4.32Å; F402-M463 HydrophobicContact CB-CE 3.78Å; F402-M463 HydrophobicContact CB-SD 3.87Å; F402-M463 HydrophobicContact CD1-SD 3.94Å; F402-M463 HydrophobicContact CD2-CE 4.07Å; F402-M463 HydrophobicContact CD2-SD 4.4Å; F402-M463 HydrophobicContact CG-CE 3.93Å; F402-M463 HydrophobicContact CG-SD 3.83Å; M463-C475 VanDerWaalsContact C-SG 3.59Å; M463-C475 PolarHBondContact O-SG 3.48Å; M463-C475 VanDerWaalsContact O-SG 3.38Å; M463-V493 WeakPolarHBondContact CA-O 3.31Å; M463-V493 HydrophobicContact CE-CG1 4.13Å; M463-V493 HydrophobicContact CG-CB 4.16Å; M463-V493 HydrophobicContact CG-CG1 4.45Å; M463-F525 HydrophobicContact CE-CD1 4.25Å
464	Y	92.9	Very high	88.5	Confident	6 Å²	6	26.6 Å²	26.6	2%	0.024	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	165.5	167.4	77	-82.2	0	0	0	110.4	F472 V493 A494 S495 Q504 P510 P522	Y464-F472 HydrophobicContact CD1-CD2 4.26Å; Y464-F472 HydrophobicContact CD2-CB 4.01Å; Y464-F472 HydrophobicContact CG-CB 4.17Å; Y464-F472 HydrophobicContact CG-CD2 4.35Å; Y464-V493 WeakPolarHBondContact CD1-O 3.21Å; Y464-V493 PolarHBondContact N-O 2.86Å; Y464-A494 HydrophobicContact CE1-CB 3.75Å; Y464-A494 HydrophobicContact CE2-CB 4.14Å; Y464-A494 WeakPolarHBondContact OH-CB 3.49Å; Y464-S495 PolarHBondContact O-N 3.27Å; Y464-S495 PolarHBondContact O-OG 2.99Å; Y464-S495 VanDerWaalsContact O-OG 3.05Å; Y464-Q504 HydrophobicContact CE2-CG 4.36Å; Y464-P510 HydrophobicContact CE1-CB 4.21Å; Y464-P510 HydrophobicContact CE1-CG 4.42Å; Y464-P510 HydrophobicContact CE2-CG 4.06Å; Y464-P510 WeakPolarHBondContact OH-CB 3.42Å; Y464-P510 WeakPolarHBondContact OH-CG 3.33Å; Y464-P522 HydrophobicContact CE1-CB 4.43Å
465	D	91.6	Very high	89.6	Confident	9 Å²	9	23.6 Å²	23.6	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.5	179.8	177.1	-14.3	0	0	0	109.2	T397 S467 D468 S471 K496	T397-D465 HydrophobicContact CG2-CB 4Å; D465-S467 PolarHBondContact O-N 3.48Å; D465-S467 VanDerWaalsContact O-N 3.12Å; D465-S467 WeakPolarHBondContact OD1-CA 3.35Å; D465-S467 WeakPolarHBondContact OD1-CB 3.37Å; D465-S467 PolarHBondContact OD1-N 3.13Å; D465-S467 PolarHBondContact OD1-OG 3.45Å; D465-D468 HydrophobicContact CB-CB 4.02Å; D465-D468 PolarHBondContact O-N 3.4Å; D465-D468 VanDerWaalsContact O-N 3.1Å; D465-S471 PolarHBondContact N-OG 3.42Å; D465-S471 PolarHBondContact O-OG 2.99Å; D465-K496 WeakPolarHBondContact OD2-CD 3.26Å; D465-K496 VanDerWaalsContact OD2-CE 3.23Å; D465-K496 WeakPolarHBondContact OD2-CE 3.46Å; D465-K496 IonicContact OD2-NZ 2.64Å; D465-K496 PolarHBondContact OD2-NZ 3.44Å
466	A	90.3	Very high	90.4	Very high	6 Å²	6	23.1 Å²	23.1	5%	0.05	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	-177.6	0	0	0	0	0	113	S495 A502	A466-S495 WeakPolarHBondContact CB-O 3.08Å; A466-S495 PolarHBondContact N-O 3.37Å; A466-A502 PolarHBondContact O-N 3.38Å
467	S	89.4	Confident	90.8	Very high	42 Å²	42	22.3 Å²	22.3	29%	0.294	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.8	178.9	70.7	0	0	0	0	114.7	D465 A502	D465-S467 PolarHBondContact O-N 3.48Å; D465-S467 VanDerWaalsContact O-N 3.12Å; D465-S467 WeakPolarHBondContact OD1-CA 3.35Å; D465-S467 WeakPolarHBondContact OD1-CB 3.37Å; D465-S467 PolarHBondContact OD1-N 3.13Å; D465-S467 PolarHBondContact OD1-OG 3.45Å; S467-A502 WeakPolarHBondContact O-CB 3.43Å
468	D	89.8	Confident	90.8	Very high	55 Å²	55	22.3 Å²	22.3	29%	0.294	12%	0.12	S	C	.	.			trans	-103.7	113.8	178.2	174.1	11	0	0	0	111	D465 H470 S471 Q504	D465-D468 HydrophobicContact CB-CB 4.02Å; D465-D468 PolarHBondContact O-N 3.4Å; D465-D468 VanDerWaalsContact O-N 3.1Å; D468-H470 PolarHBondContact O-N 3.27Å; D468-H470 VanDerWaalsContact O-N 3.16Å; D468-H470 PolarHBondContact OD1-N 2.88Å; D468-S471 PolarHBondContact O-N 3.32Å; D468-S471 PolarHBondContact O-OG 3.24Å; D468-S471 WeakPolarHBondContact OD2-CB 3.37Å; D468-S471 PolarHBondContact OD2-N 2.94Å; D468-Q504 PolarHBondContact O-NE2 3.4Å; D468-Q504 PolarHBondContact O-OE1 3.41Å; D468-Q504 VanDerWaalsContact O-OE1 3.06Å
469	P	88.9	Confident	90.8	Very high	35 Å²	35	22.6 Å²	22.6	23%	0.227	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25	177.4	-24.5	32.4	0	0	0	116	A502 Q504 F505	P469-A502 HydrophobicContact CG-CB 3.99Å; P469-Q504 WeakPolarHBondContact O-CA 3.47Å; P469-Q504 PolarHBondContact O-OE1 2.72Å; P469-F505 HydrophobicContact CB-CD2 3.54Å; P469-F505 HydrophobicContact CB-CE2 3.65Å; P469-F505 HydrophobicContact CB-CG 4.05Å; P469-F505 HydrophobicContact CB-CZ 4.23Å; P469-F505 HydrophobicContact CG-CE2 4.28Å; P469-F505 PolarHBondContact O-N 3.31Å
470	H	88.5	Confident	90.7	Very high	123 Å²	123	26.8 Å²	26.8	57%	0.569	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.3	-173.6	-66.5	-79.8	0	0	0	113.2	D468 F472 D473 F505	D468-H470 PolarHBondContact O-N 3.27Å; D468-H470 VanDerWaalsContact O-N 3.16Å; D468-H470 PolarHBondContact OD1-N 2.88Å; H470-F472 VanDerWaalsContact C-N 3.27Å; H470-F472 PolarHBondContact O-N 2.93Å; H470-D473 PolarHBondContact O-N 3.39Å; H470-F505 AromaticContact CE1-CD2 3.71Å; H470-F505 AromaticContact NE2-CD2 3.82Å
471	S	90.4	Very high	90.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-31.2	-172.7	67.8	0	0	0	0	114.1	D465 D468	D465-S471 PolarHBondContact N-OG 3.42Å; D465-S471 PolarHBondContact O-OG 2.99Å; D468-S471 PolarHBondContact O-N 3.32Å; D468-S471 PolarHBondContact O-OG 3.24Å; D468-S471 WeakPolarHBondContact OD2-CB 3.37Å; D468-S471 PolarHBondContact OD2-N 2.94Å
472	F	92.7	Very high	90	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.5	-34.2	-179.4	174.2	-116.4	0	0	0	113.9	Y464 H470 Y474 C475 A476 L492 Q504 H506 P510 F513	Y464-F472 HydrophobicContact CD1-CD2 4.26Å; Y464-F472 HydrophobicContact CD2-CB 4.01Å; Y464-F472 HydrophobicContact CG-CB 4.17Å; Y464-F472 HydrophobicContact CG-CD2 4.35Å; H470-F472 VanDerWaalsContact C-N 3.27Å; H470-F472 PolarHBondContact O-N 2.93Å; F472-Y474 PolarHBondContact O-N 2.86Å; F472-C475 PolarHBondContact O-N 3.23Å; F472-C475 VanDerWaalsContact O-N 3.09Å; F472-A476 HydrophobicContact CE2-CB 4.49Å; F472-A476 HydrophobicContact CZ-CB 4.23Å; F472-A476 PolarHBondContact O-N 3.33Å; F472-L492 HydrophobicContact CD2-CD2 4.36Å; F472-L492 HydrophobicContact CE2-CD2 3.66Å; F472-Q504 HydrophobicContact CB-CB 4.08Å; F472-Q504 HydrophobicContact CB-CG 3.99Å; F472-Q504 HydrophobicContact CD1-CB 4.06Å; F472-Q504 HydrophobicContact CG-CB 4.41Å; F472-H506 HydrophobicContact CD1-CB 3.55Å; F472-H506 HydrophobicContact CE1-CB 3.61Å; F472-H506 AromaticContact CE1-CD2 3.77Å; F472-H506 AromaticContact CE1-CG 3.82Å; F472-P510 HydrophobicContact CD1-CG 3.98Å; F472-P510 HydrophobicContact CD2-CB 4.09Å; F472-P510 HydrophobicContact CD2-CG 3.91Å; F472-P510 HydrophobicContact CE1-CG 4.17Å; F472-P510 HydrophobicContact CE2-CB 3.9Å; F472-P510 HydrophobicContact CE2-CG 4.12Å; F472-P510 HydrophobicContact CG-CG 3.87Å; F472-P510 HydrophobicContact CZ-CB 4.15Å; F472-P510 HydrophobicContact CZ-CG 4.26Å; F472-F513 HydrophobicContact CE1-CB 4.43Å; F472-F513 HydrophobicContact CE2-CD1 4.41Å; F472-F513 HydrophobicContact CE2-CG 4.43Å; F472-F513 HydrophobicContact CZ-CB 3.63Å; F472-F513 HydrophobicContact CZ-CD1 4.11Å; F472-F513 HydrophobicContact CZ-CD2 4.11Å; F472-F513 AromaticContact CZ-CG 3.7Å; F472-F513 HydrophobicContact CZ-CG 3.7Å
473	D	90.8	Very high	89.7	Confident	69 Å²	69	34 Å²	34	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-59.5	-36.5	-179.9	-179.1	64.7	0	0	0	111.8	H470 A476 S477 H506	H470-D473 PolarHBondContact O-N 3.39Å; D473-A476 PolarHBondContact O-N 2.89Å; D473-S477 WeakPolarHBondContact O-CB 3.43Å; D473-S477 PolarHBondContact O-N 3.02Å; D473-S477 PolarHBondContact O-OG 2.79Å; D473-H506 IonicContact OD1-CE1 3.42Å; D473-H506 PolarHBondContact OD1-CE1 3.18Å; D473-H506 IonicContact OD1-CG 3.81Å; D473-H506 IonicContact OD1-ND1 2.68Å; D473-H506 PolarHBondContact OD1-ND1 3.01Å
474	Y	89.4	Confident	89.4	Confident	63 Å²	63	38.4 Å²	38.4	25%	0.247	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-52.6	172.1	-175.7	-85.4	0	0	0	112.3	I392 P394 V445 F472 A476 S477 I478	I392-Y474 HydrophobicContact CG2-CE1 4.44Å; P394-Y474 HydrophobicContact CB-CD1 4.43Å; P394-Y474 HydrophobicContact CB-CD2 4.49Å; P394-Y474 HydrophobicContact CB-CG 4.2Å; P394-Y474 HydrophobicContact CG-CD1 4.23Å; P394-Y474 HydrophobicContact CG-CG 4.15Å; V445-Y474 WeakPolarHBondContact CB-OH 3.43Å; V445-Y474 WeakPolarHBondContact CG1-OH 3.44Å; V445-Y474 VanDerWaalsContact CG2-OH 3.25Å; V445-Y474 WeakPolarHBondContact CG2-OH 3.43Å; F472-Y474 PolarHBondContact O-N 2.86Å; Y474-A476 VanDerWaalsContact C-N 3.32Å; Y474-A476 PolarHBondContact O-N 3.03Å; Y474-S477 PolarHBondContact O-N 2.92Å; Y474-I478 HydrophobicContact CD1-CG1 4.15Å; Y474-I478 HydrophobicContact CE1-CD1 4.39Å; Y474-I478 HydrophobicContact CE1-CG1 3.67Å; Y474-I478 WeakPolarHBondContact O-CG1 3.47Å; Y474-I478 PolarHBondContact O-N 2.93Å
475	C	90.1	Very high	88.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-41.2	-180	-69.3	0	0	0	0	112.1	L462 M463 F472 S477 Y479	L462-C475 HydrophobicContact CB-CB 4.27Å; M463-C475 VanDerWaalsContact C-SG 3.59Å; M463-C475 PolarHBondContact O-SG 3.48Å; M463-C475 VanDerWaalsContact O-SG 3.38Å; F472-C475 PolarHBondContact O-N 3.23Å; F472-C475 VanDerWaalsContact O-N 3.09Å; C475-S477 VanDerWaalsContact C-N 3.34Å; C475-Y479 WeakPolarHBondContact O-CB 3.47Å; C475-Y479 PolarHBondContact O-N 3.06Å
476	A	90.9	Very high	88.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-33.1	177.4	0	0	0	0	0	112.9	F472 D473 Y474 K480 H506 F513	F472-A476 HydrophobicContact CE2-CB 4.49Å; F472-A476 HydrophobicContact CZ-CB 4.23Å; F472-A476 PolarHBondContact O-N 3.33Å; D473-A476 PolarHBondContact O-N 2.89Å; Y474-A476 VanDerWaalsContact C-N 3.32Å; Y474-A476 PolarHBondContact O-N 3.03Å; A476-K480 VanDerWaalsContact O-CG 3.31Å; A476-K480 WeakPolarHBondContact O-CG 3.49Å; A476-K480 PolarHBondContact O-N 3.25Å; A476-H506 WeakPolarHBondContact CB-CE1 3.38Å; A476-H506 VanDerWaalsContact CB-NE2 3.35Å; A476-H506 WeakPolarHBondContact CB-NE2 3.33Å; A476-F513 HydrophobicContact CB-CD2 4.2Å; A476-F513 HydrophobicContact CB-CE1 4.5Å; A476-F513 HydrophobicContact CB-CE2 3.6Å; A476-F513 HydrophobicContact CB-CZ 3.77Å
477	S	89.2	Confident	87.9	Confident	39 Å²	39	50.4 Å²	50.4	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-48.8	175	-63.4	0	0	0	0	111.8	D473 Y474 C475 Y479 K480 Q481	D473-S477 WeakPolarHBondContact O-CB 3.43Å; D473-S477 PolarHBondContact O-N 3.02Å; D473-S477 PolarHBondContact O-OG 2.79Å; Y474-S477 PolarHBondContact O-N 2.92Å; C475-S477 VanDerWaalsContact C-N 3.34Å; S477-Y479 VanDerWaalsContact C-N 3.32Å; S477-Y479 PolarHBondContact O-N 3.06Å; S477-K480 PolarHBondContact O-N 2.89Å; S477-Q481 WeakPolarHBondContact O-CB 3.4Å; S477-Q481 WeakPolarHBondContact O-CG 2.97Å; S477-Q481 PolarHBondContact O-N 3.49Å
478	I	88.3	Confident	87.8	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-43.1	175.4	-67.8	-62.1	0	0	0	111.6	I392 L450 L462 Y474 Q481 H482 Y483	I392-I478 HydrophobicContact CG2-CG2 4.21Å; L450-I478 HydrophobicContact CD1-CD1 4.19Å; L450-I478 HydrophobicContact CD1-CG2 3.83Å; L462-I478 HydrophobicContact CD2-CG2 4.16Å; Y474-I478 HydrophobicContact CD1-CG1 4.15Å; Y474-I478 HydrophobicContact CE1-CD1 4.39Å; Y474-I478 HydrophobicContact CE1-CG1 3.67Å; Y474-I478 WeakPolarHBondContact O-CG1 3.47Å; Y474-I478 PolarHBondContact O-N 2.93Å; I478-Q481 PolarHBondContact O-N 2.92Å; I478-H482 PolarHBondContact O-N 3.32Å; I478-Y483 HydrophobicContact CG2-CD2 4.23Å; I478-Y483 HydrophobicContact CG2-CE2 4.03Å
479	Y	90	Very high	87.8	Confident	17 Å²	17	48.2 Å²	48.2	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-51.2	176.6	175.3	-98.5	0	0	0	112	L462 C475 S477 Q481 Y483 M484 C490 F513 H517 L519	L462-Y479 HydrophobicContact CD1-CD2 4.29Å; C475-Y479 WeakPolarHBondContact O-CB 3.47Å; C475-Y479 PolarHBondContact O-N 3.06Å; S477-Y479 VanDerWaalsContact C-N 3.32Å; S477-Y479 PolarHBondContact O-N 3.06Å; Y479-Q481 VanDerWaalsContact C-N 3.27Å; Y479-Q481 PolarHBondContact O-N 2.86Å; Y479-Y483 CarbonylContact O-C 3.6Å; Y479-Y483 WeakPolarHBondContact O-CA 3.2Å; Y479-Y483 PolarHBondContact O-N 3.44Å; Y479-M484 HydrophobicContact CD1-CB 4.39Å; Y479-M484 HydrophobicContact CE1-CB 3.96Å; Y479-M484 HydrophobicContact CE1-CG 4.36Å; Y479-M484 PolarHBondContact O-N 3.11Å; Y479-C490 HydrophobicContact CD2-CB 4.13Å; Y479-C490 HydrophobicContact CE2-CB 4.16Å; Y479-F513 AromaticContact CD1-CE1 3.99Å; Y479-F513 HydrophobicContact CD1-CE1 3.99Å; Y479-F513 AromaticContact CD1-CZ 3.63Å; Y479-F513 HydrophobicContact CD1-CZ 3.63Å; Y479-F513 HydrophobicContact CE1-CZ 4.36Å; Y479-F513 HydrophobicContact CG-CE1 4.31Å; Y479-F513 HydrophobicContact CG-CZ 4.21Å; Y479-H517 HydrophobicContact CE1-CB 3.88Å; Y479-H517 AromaticContact CE1-CG 3.71Å; Y479-H517 AromaticContact CE1-ND1 3.64Å; Y479-L519 HydrophobicContact CD2-CD1 4.16Å; Y479-L519 HydrophobicContact CE2-CD1 3.91Å; Y479-L519 HydrophobicContact CE2-CD2 3.85Å; Y479-L519 HydrophobicContact CE2-CG 4.41Å
480	K	89.6	Confident	88	Confident	88 Å²	88	46.8 Å²	46.8	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-33.7	-179.8	-71.9	167.9	-169	157.8	0	113	A476 S477 M484 H506	A476-K480 VanDerWaalsContact O-CG 3.31Å; A476-K480 WeakPolarHBondContact O-CG 3.49Å; A476-K480 PolarHBondContact O-N 3.25Å; S477-K480 PolarHBondContact O-N 2.89Å; K480-M484 HydrophobicContact CG-SD 4.46Å; K480-H506 PolarHBondContact NZ-CE1 3.12Å; K480-H506 PolarHBondContact NZ-NE2 2.86Å
481	Q	86.6	Confident	88.1	Confident	98 Å²	98	41 Å²	41	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-83.7	-32.3	-175	-72.3	170.2	-17.5	0	0	113.9	F449 S477 I478 Y479	F449-Q481 VanDerWaalsContact CD1-OE1 3.31Å; S477-Q481 WeakPolarHBondContact O-CB 3.4Å; S477-Q481 WeakPolarHBondContact O-CG 2.97Å; S477-Q481 PolarHBondContact O-N 3.49Å; I478-Q481 PolarHBondContact O-N 2.92Å; Y479-Q481 VanDerWaalsContact C-N 3.27Å; Y479-Q481 PolarHBondContact O-N 2.86Å
482	H	84.8	Confident	88.3	Confident	50 Å²	50	41 Å²	41	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-127.3	-17.1	-168.1	-58.6	-65.5	0	0	0	115.4	L450 A455 I478	L450-H482 PolarHBondContact O-CE1 3.03Å; L450-H482 PolarHBondContact O-ND1 3.1Å; A455-H482 HydrophobicContact CB-CB 4.08Å; I478-H482 PolarHBondContact O-N 3.32Å
483	Y	87.1	Confident	88.3	Confident	5 Å²	5	41 Å²	41	2%	0.02	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-18.1	-169.7	-65.2	-68.9	0	0	0	115	I392 A455 A460 I478 Y479 D485 G486 V488 C490	I392-Y483 HydrophobicContact CD1-CE2 3.96Å; I392-Y483 WeakPolarHBondContact CD1-OH 3.29Å; A455-Y483 WeakPolarHBondContact CA-OH 3.49Å; A455-Y483 HydrophobicContact CB-CE1 4.34Å; A455-Y483 WeakPolarHBondContact O-CE1 3.29Å; A455-Y483 PolarHBondContact O-OH 3.31Å; A460-Y483 HydrophobicContact CB-CD1 4.28Å; A460-Y483 HydrophobicContact CB-CE1 3.85Å; A460-Y483 HydrophobicContact CB-CE2 4.16Å; I478-Y483 HydrophobicContact CG2-CD2 4.23Å; I478-Y483 HydrophobicContact CG2-CE2 4.03Å; Y479-Y483 CarbonylContact O-C 3.6Å; Y479-Y483 WeakPolarHBondContact O-CA 3.2Å; Y479-Y483 PolarHBondContact O-N 3.44Å; Y483-D485 PolarHBondContact O-N 3.17Å; Y483-G486 PolarHBondContact O-N 3.14Å; Y483-G486 VanDerWaalsContact O-N 3.12Å; Y483-V488 HydrophobicContact CD1-CB 4.01Å; Y483-V488 HydrophobicContact CD1-CG1 4.17Å; Y483-V488 HydrophobicContact CE1-CB 4.19Å; Y483-V488 HydrophobicContact CE1-CG1 4Å; Y483-C490 VanDerWaalsContact CB-SG 3.51Å
484	M	86.6	Confident	88.4	Confident	91 Å²	91	38.2 Å²	38.2	45%	0.448	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-40.4	-176.8	173.4	163.8	159.7	0	0	113.7	Y479 K480	Y479-M484 HydrophobicContact CD1-CB 4.39Å; Y479-M484 HydrophobicContact CE1-CB 3.96Å; Y479-M484 HydrophobicContact CE1-CG 4.36Å; Y479-M484 PolarHBondContact O-N 3.11Å; K480-M484 HydrophobicContact CG-SD 4.46Å
485	D	82.3	Confident	88.4	Confident	159 Å²	159	35.4 Å²	35.4	85%	0.85	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	10	177	-58.2	-43.8	0	0	0	112.7	Y483	Y483-D485 PolarHBondContact O-N 3.17Å
486	G	80.1	Confident	88.2	Confident	42 Å²	42	38.6 Å²	38.6	43%	0.433	21%	0.214	S	C	.	.	S	Bend	trans	-95.6	159.3	-175	0	0	0	0	0	114.2	Y483 V488	Y483-G486 PolarHBondContact O-N 3.14Å; Y483-G486 VanDerWaalsContact O-N 3.12Å; G486-V488 VanDerWaalsContact C-N 3.28Å
487	S	81.1	Confident	87.9	Confident	73 Å²	73	40.8 Å²	40.8	51%	0.51	23%	0.232	S	C	.	.	S	Bend	trans	-84.6	2.9	172.3	59.4	0	0	0	0	114.1
488	V	87.3	Confident	87.6	Confident	26 Å²	26	42.9 Å²	42.9	16%	0.158	24%	0.24	C	C	.	.	S	Bend	trans	-85.1	120.4	-177.3	179.8	0	0	0	0	110	A460 Y483 G486 C490	A460-V488 HydrophobicContact CB-CG1 4.33Å; Y483-V488 HydrophobicContact CD1-CB 4.01Å; Y483-V488 HydrophobicContact CD1-CG1 4.17Å; Y483-V488 HydrophobicContact CE1-CB 4.19Å; Y483-V488 HydrophobicContact CE1-CG1 4Å; G486-V488 VanDerWaalsContact C-N 3.28Å; V488-C490 PolarHBondContact O-N 2.95Å
489	P	90.3	Very high	87.4	Confident	25 Å²	25	46.1 Å²	46.1	16%	0.162	26%	0.257	C	S	.	.			trans	-66.8	136.1	178	27.6	-32.6	0	0	0	110.5	D458 V459 A460 A544 P548	D458-P489 VanDerWaalsContact O-CD 3.27Å; D458-P489 WeakPolarHBondContact O-CD 3.38Å; D458-P489 VanDerWaalsContact O-CG 3.3Å; D458-P489 WeakPolarHBondContact O-CG 3.48Å; V459-P489 WeakPolarHBondContact CA-O 3.26Å; V459-P489 HydrophobicContact CB-CG 4.22Å; V459-P489 HydrophobicContact CG2-CG 4.29Å; V459-P489 WeakPolarHBondContact CG2-O 3.3Å; A460-P489 PolarHBondContact N-O 3.42Å; P489-A544 HydrophobicContact CB-CB 4.17Å; P489-A544 HydrophobicContact CG-CB 4.34Å; P489-A544 WeakPolarHBondContact CG-O 3.35Å; P489-P548 HydrophobicContact CG-CB 4.38Å
490	C	91.2	Very high	87.1	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.034	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.5	-179.8	-66.3	0	0	0	0	111	A460 L462 Y479 Y483 V488 L519 P520	A460-C490 WeakPolarHBondContact O-CA 3.42Å; L462-C490 HydrophobicContact CD1-CB 4.37Å; Y479-C490 HydrophobicContact CD2-CB 4.13Å; Y479-C490 HydrophobicContact CE2-CB 4.16Å; Y483-C490 VanDerWaalsContact CB-SG 3.51Å; V488-C490 PolarHBondContact O-N 2.95Å; C490-L519 HydrophobicContact CB-CD2 4.06Å; C490-P520 WeakPolarHBondContact O-CD 3.41Å
491	V	92.2	Very high	86.9	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.4	176.7	179.9	0	0	0	0	108.4	V459 A460 L462 V493 L523 L541 A544	V459-V491 HydrophobicContact CG2-CG2 4.25Å; A460-V491 PolarHBondContact O-N 3.42Å; L462-V491 PolarHBondContact N-O 2.78Å; V491-V493 HydrophobicContact CG1-CG2 4.43Å; V491-L523 HydrophobicContact CG1-CD1 3.67Å; V491-L523 HydrophobicContact CG1-CG 4.21Å; V491-L541 HydrophobicContact CB-CD2 3.8Å; V491-L541 HydrophobicContact CG1-CD2 4.23Å; V491-L541 HydrophobicContact CG2-CD2 3.96Å; V491-A544 HydrophobicContact CG2-CB 4.38Å
492	L	92.9	Very high	86.9	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.9	174.3	-84.9	72.8	0	0	0	110.4	L462 F472 F513 L519 P522 L523	L462-L492 HydrophobicContact CB-CD1 4.33Å; L462-L492 HydrophobicContact CB-CG 4.2Å; L462-L492 HydrophobicContact CD1-CD1 4.02Å; L462-L492 WeakPolarHBondContact O-CA 3.43Å; F472-L492 HydrophobicContact CD2-CD2 4.36Å; F472-L492 HydrophobicContact CE2-CD2 3.66Å; L492-F513 HydrophobicContact CD2-CD1 4.32Å; L492-L519 HydrophobicContact CD1-CD1 3.68Å; L492-P522 HydrophobicContact CB-CB 4.45Å; L492-L523 PolarHBondContact O-N 3.49Å
493	V	93.2	Very high	86.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	178.5	176.4	0	0	0	0	109.3	C461 L462 M463 Y464 V491 L523 F525 I537	C461-V493 VanDerWaalsContact SG-CG2 3.59Å; L462-V493 PolarHBondContact O-N 2.95Å; M463-V493 WeakPolarHBondContact CA-O 3.31Å; M463-V493 HydrophobicContact CE-CG1 4.13Å; M463-V493 HydrophobicContact CG-CB 4.16Å; M463-V493 HydrophobicContact CG-CG1 4.45Å; Y464-V493 WeakPolarHBondContact CD1-O 3.21Å; Y464-V493 PolarHBondContact N-O 2.86Å; V491-V493 HydrophobicContact CG1-CG2 4.43Å; V493-L523 CarbonylContact C-O 3.52Å; V493-L523 WeakPolarHBondContact CA-O 3.34Å; V493-L523 HydrophobicContact CG2-CB 4.44Å; V493-F525 HydrophobicContact CG1-CB 3.66Å; V493-I537 HydrophobicContact CG2-CG2 4.3Å
494	A	92.3	Very high	86.9	Confident	10 Å²	10	56.9 Å²	56.9	8%	0.083	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	101.3	175.7	0	0	0	0	0	108.7	Y464 L523 P524 F525	Y464-A494 HydrophobicContact CE1-CB 3.75Å; Y464-A494 HydrophobicContact CE2-CB 4.14Å; Y464-A494 WeakPolarHBondContact OH-CB 3.49Å; A494-L523 PolarHBondContact N-O 2.89Å; A494-P524 CarbonylContact O-C 3.13Å; A494-F525 PolarHBondContact O-N 3.42Å
495	S	90.2	Very high	86.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	162.4	178.2	74.3	0	0	0	0	112	T397 Y464 A466 A497 F525	T397-S495 VanDerWaalsContact O-CB 3.26Å; T397-S495 WeakPolarHBondContact O-CB 3.24Å; T397-S495 PolarHBondContact O-OG 3.22Å; Y464-S495 PolarHBondContact O-N 3.27Å; Y464-S495 PolarHBondContact O-OG 2.99Å; Y464-S495 VanDerWaalsContact O-OG 3.05Å; A466-S495 WeakPolarHBondContact CB-O 3.08Å; A466-S495 PolarHBondContact N-O 3.37Å; S495-A497 VanDerWaalsContact C-N 3.27Å; S495-A497 PolarHBondContact O-N 3.29Å; S495-F525 CarbonylContact C-O 3.6Å; S495-F525 WeakPolarHBondContact CA-O 3.41Å
496	K	86.9	Confident	86.6	Confident	69 Å²	69	52.2 Å²	52.2	30%	0.3	29%	0.291	S	S	.	.			trans	56.8	39	-176.8	-50	-176.5	-164.7	160.4	0	112.9	G396 D465 D498 L499 F525	G396-K496 WeakPolarHBondContact O-CE 3.29Å; G396-K496 PolarHBondContact O-NZ 3Å; D465-K496 WeakPolarHBondContact OD2-CD 3.26Å; D465-K496 VanDerWaalsContact OD2-CE 3.23Å; D465-K496 WeakPolarHBondContact OD2-CE 3.46Å; D465-K496 IonicContact OD2-NZ 2.64Å; D465-K496 PolarHBondContact OD2-NZ 3.44Å; K496-D498 VanDerWaalsContact CA-OD1 3.27Å; K496-D498 WeakPolarHBondContact CA-OD1 3.14Å; K496-D498 PolarHBondContact O-N 3.13Å; K496-L499 HydrophobicContact CB-CD1 3.96Å; K496-L499 HydrophobicContact CB-CG 4.22Å; K496-L499 HydrophobicContact CD-CD1 4Å; K496-L499 WeakPolarHBondContact O-CB 3.32Å; K496-L499 PolarHBondContact O-N 2.74Å; K496-F525 PolarHBondContact N-O 3.09Å
497	A	84.2	Confident	86.6	Confident	46 Å²	46	54.1 Å²	54.1	38%	0.38	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.6	178.8	0	0	0	0	0	114.1	S495 P524 F525	S495-A497 VanDerWaalsContact C-N 3.27Å; S495-A497 PolarHBondContact O-N 3.29Å; A497-P524 HydrophobicContact CB-CB 3.72Å; A497-F525 PolarHBondContact N-O 3.27Å
498	D	82.5	Confident	86.9	Confident	83 Å²	83	53 Å²	53	44%	0.444	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.8	167.3	55	-62.5	0	0	0	113.9	K496	K496-D498 VanDerWaalsContact CA-OD1 3.27Å; K496-D498 WeakPolarHBondContact CA-OD1 3.14Å; K496-D498 PolarHBondContact O-N 3.13Å
499	L	84.8	Confident	87	Confident	76 Å²	76	55 Å²	55	40%	0.398	31%	0.31	S	S	.	.	S	Bend	trans	-94	157.1	176.7	-58.8	-177.8	0	0	0	111.6	K496 E501	K496-L499 HydrophobicContact CB-CD1 3.96Å; K496-L499 HydrophobicContact CB-CG 4.22Å; K496-L499 HydrophobicContact CD-CD1 4Å; K496-L499 WeakPolarHBondContact O-CB 3.32Å; K496-L499 PolarHBondContact O-N 2.74Å; L499-E501 PolarHBondContact O-N 3.14Å
500	P	84.1	Confident	87	Confident	116 Å²	116	54.1 Å²	54.1	75%	0.753	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-58.2	128.4	175.1	-23.7	34.5	0	0	0	112.2	A502	P500-A502 PolarHBondContact O-N 3.02Å
501	E	85.4	Confident	86.9	Confident	147 Å²	147	56.8 Å²	56.8	69%	0.687	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-67	123.5	-179.3	-172.2	177.8	-176	0	0	111.3	L499	L499-E501 PolarHBondContact O-N 3.14Å
502	A	85.2	Confident	86.8	Confident	24 Å²	24	61.8 Å²	61.8	20%	0.198	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-90.8	141.5	177.7	0	0	0	0	0	111.2	A466 S467 P469 P500 Q504	A466-A502 PolarHBondContact O-N 3.38Å; S467-A502 WeakPolarHBondContact O-CB 3.43Å; P469-A502 HydrophobicContact CG-CB 3.99Å; P500-A502 PolarHBondContact O-N 3.02Å; A502-Q504 PolarHBondContact O-N 3.17Å; A502-Q504 PolarHBondContact O-NE2 3.34Å
503	K	86.1	Confident	86.7	Confident	179 Å²	179	61.8 Å²	61.8	78%	0.778	35%	0.35	S	S	*	.			trans	-65.8	109.8	177.7	-175.8	179.4	-179.7	179.6	0	110.5	F505	K503-F505 WeakPolarHBondContact O-CD1 3.33Å; K503-F505 WeakPolarHBondContact O-CE1 3.4Å
504	Q	86.4	Confident	86.6	Confident	17 Å²	17	61.9 Å²	61.9	8%	0.079	35%	0.351	C	S	.	.			trans	-67.2	135.2	-177.3	-59.6	-62.7	-47.3	0	0	112.6	Y464 D468 P469 F472 A502 H506 P510	Y464-Q504 HydrophobicContact CE2-CG 4.36Å; D468-Q504 PolarHBondContact O-NE2 3.4Å; D468-Q504 PolarHBondContact O-OE1 3.41Å; D468-Q504 VanDerWaalsContact O-OE1 3.06Å; P469-Q504 WeakPolarHBondContact O-CA 3.47Å; P469-Q504 PolarHBondContact O-OE1 2.72Å; F472-Q504 HydrophobicContact CB-CB 4.08Å; F472-Q504 HydrophobicContact CB-CG 3.99Å; F472-Q504 HydrophobicContact CD1-CB 4.06Å; F472-Q504 HydrophobicContact CG-CB 4.41Å; A502-Q504 PolarHBondContact O-N 3.17Å; A502-Q504 PolarHBondContact O-NE2 3.34Å; Q504-H506 PolarHBondContact O-N 3.28Å; Q504-P510 HydrophobicContact CB-CG 4.43Å; Q504-P510 HydrophobicContact CG-CG 3.93Å
505	F	81.9	Confident	86.4	Confident	121 Å²	121	71 Å²	71	53%	0.531	39%	0.385	S	S	.	.	S	Bend	trans	-98.4	58.9	-174.5	-64.6	-28.7	0	0	0	112.9	P469 H470 K503	P469-F505 HydrophobicContact CB-CD2 3.54Å; P469-F505 HydrophobicContact CB-CE2 3.65Å; P469-F505 HydrophobicContact CB-CG 4.05Å; P469-F505 HydrophobicContact CB-CZ 4.23Å; P469-F505 HydrophobicContact CG-CE2 4.28Å; P469-F505 PolarHBondContact O-N 3.31Å; H470-F505 AromaticContact CE1-CD2 3.71Å; H470-F505 AromaticContact NE2-CD2 3.82Å; K503-F505 WeakPolarHBondContact O-CD1 3.33Å; K503-F505 WeakPolarHBondContact O-CE1 3.4Å
506	H	79.6	Confident	86.3	Confident	31 Å²	31	77.2 Å²	77.2	14%	0.144	41%	0.411	C	S	.	.	S	Bend	trans	-114	1.1	174.4	-169.4	63.2	0	0	0	114	F472 D473 A476 K480 Q504 M508	F472-H506 HydrophobicContact CD1-CB 3.55Å; F472-H506 HydrophobicContact CE1-CB 3.61Å; F472-H506 AromaticContact CE1-CD2 3.77Å; F472-H506 AromaticContact CE1-CG 3.82Å; D473-H506 IonicContact OD1-CE1 3.42Å; D473-H506 PolarHBondContact OD1-CE1 3.18Å; D473-H506 IonicContact OD1-CG 3.81Å; D473-H506 IonicContact OD1-ND1 2.68Å; D473-H506 PolarHBondContact OD1-ND1 3.01Å; A476-H506 WeakPolarHBondContact CB-CE1 3.38Å; A476-H506 VanDerWaalsContact CB-NE2 3.35Å; A476-H506 WeakPolarHBondContact CB-NE2 3.33Å; K480-H506 PolarHBondContact NZ-CE1 3.12Å; K480-H506 PolarHBondContact NZ-NE2 2.86Å; Q504-H506 PolarHBondContact O-N 3.28Å; H506-M508 PolarHBondContact O-N 3.1Å
507	G	81.6	Confident	86.3	Confident	82 Å²	82	75.7 Å²	75.7	85%	0.845	41%	0.405	S	S	*	.	S	Bend	trans	77.2	-7.4	-174.9	0	0	0	0	0	115.4
508	M	86.4	Confident	86.3	Confident	51 Å²	51	82.2 Å²	82.2	25%	0.251	42%	0.42	S	S	.	.	S	Bend	trans	-139.6	153.7	165.4	-64.1	177.7	-61.4	0	0	108.2	H506 E512 F513 K516	H506-M508 PolarHBondContact O-N 3.1Å; M508-E512 HydrophobicContact CB-CB 4.38Å; M508-F513 HydrophobicContact CE-CD2 4.12Å; M508-K516 HydrophobicContact CE-CD 4.07Å; M508-K516 HydrophobicContact SD-CD 3.82Å
509	T	89.4	Confident	86.5	Confident	67 Å²	67	79.3 Å²	79.3	41%	0.411	40%	0.404	S	S	.	.			trans	-72.1	157.9	172.6	62.9	0	0	0	0	111.7	A511 E512 F513	T509-A511 PolarHBondContact O-N 3.05Å; T509-E512 WeakPolarHBondContact CB-OE2 3.34Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.15Å; T509-E512 PolarHBondContact N-OE2 2.95Å; T509-E512 PolarHBondContact O-N 2.93Å; T509-E512 WeakPolarHBondContact OG1-CB 3.47Å; T509-E512 WeakPolarHBondContact OG1-CG 3.39Å; T509-E512 PolarHBondContact OG1-N 3.41Å; T509-E512 PolarHBondContact OG1-OE2 3.24Å; T509-F513 WeakPolarHBondContact O-CB 3.39Å; T509-F513 PolarHBondContact O-N 3.32Å
510	P	91.1	Very high	86.5	Confident	7 Å²	7	76.3 Å²	76.3	5%	0.045	39%	0.389	C	S	.	.	H	α-helix	trans	-56.4	-35.4	175	-27	35.8	0	0	0	113.9	Y464 F472 Q504 C514 P522	Y464-P510 HydrophobicContact CE1-CB 4.21Å; Y464-P510 HydrophobicContact CE1-CG 4.42Å; Y464-P510 HydrophobicContact CE2-CG 4.06Å; Y464-P510 WeakPolarHBondContact OH-CB 3.42Å; Y464-P510 WeakPolarHBondContact OH-CG 3.33Å; F472-P510 HydrophobicContact CD1-CG 3.98Å; F472-P510 HydrophobicContact CD2-CB 4.09Å; F472-P510 HydrophobicContact CD2-CG 3.91Å; F472-P510 HydrophobicContact CE1-CG 4.17Å; F472-P510 HydrophobicContact CE2-CB 3.9Å; F472-P510 HydrophobicContact CE2-CG 4.12Å; F472-P510 HydrophobicContact CG-CG 3.87Å; F472-P510 HydrophobicContact CZ-CB 4.15Å; F472-P510 HydrophobicContact CZ-CG 4.26Å; Q504-P510 HydrophobicContact CB-CG 4.43Å; Q504-P510 HydrophobicContact CG-CG 3.93Å; P510-C514 PolarHBondContact O-N 3.06Å; P510-C514 PolarHBondContact O-SG 2.79Å; P510-P522 HydrophobicContact CB-CG 3.83Å
511	A	88.9	Confident	86.6	Confident	60 Å²	60	73.9 Å²	73.9	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-44.8	177.1	0	0	0	0	0	112.6	T509 F513 C514 Y515	T509-A511 PolarHBondContact O-N 3.05Å; A511-F513 VanDerWaalsContact C-N 3.3Å; A511-F513 PolarHBondContact O-N 3.26Å; A511-C514 PolarHBondContact O-N 3.42Å; A511-Y515 WeakPolarHBondContact O-CB 3.43Å; A511-Y515 PolarHBondContact O-N 3.5Å
512	E	89.9	Confident	86.8	Confident	107 Å²	107	68.3 Å²	68.3	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-37.7	175	-71.4	163.4	139.9	0	0	111.8	M508 T509 Y515 K516	M508-E512 HydrophobicContact CB-CB 4.38Å; T509-E512 WeakPolarHBondContact CB-OE2 3.34Å; T509-E512 WeakPolarHBondContact CG2-OE2 3.15Å; T509-E512 PolarHBondContact N-OE2 2.95Å; T509-E512 PolarHBondContact O-N 2.93Å; T509-E512 WeakPolarHBondContact OG1-CB 3.47Å; T509-E512 WeakPolarHBondContact OG1-CG 3.39Å; T509-E512 PolarHBondContact OG1-N 3.41Å; T509-E512 PolarHBondContact OG1-OE2 3.24Å; E512-Y515 PolarHBondContact O-N 2.68Å; E512-K516 VanDerWaalsContact O-CB 3.26Å; E512-K516 WeakPolarHBondContact O-CB 3.34Å; E512-K516 PolarHBondContact O-N 3.4Å
513	F	91.2	Very high	87	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-49.9	174.5	-176.8	-89.1	0	0	0	111.7	F472 A476 Y479 L492 M508 T509 A511 Y515 K516 H517 L519	F472-F513 HydrophobicContact CE1-CB 4.43Å; F472-F513 HydrophobicContact CE2-CD1 4.41Å; F472-F513 HydrophobicContact CE2-CG 4.43Å; F472-F513 HydrophobicContact CZ-CB 3.63Å; F472-F513 HydrophobicContact CZ-CD1 4.11Å; F472-F513 HydrophobicContact CZ-CD2 4.11Å; F472-F513 AromaticContact CZ-CG 3.7Å; F472-F513 HydrophobicContact CZ-CG 3.7Å; A476-F513 HydrophobicContact CB-CD2 4.2Å; A476-F513 HydrophobicContact CB-CE1 4.5Å; A476-F513 HydrophobicContact CB-CE2 3.6Å; A476-F513 HydrophobicContact CB-CZ 3.77Å; Y479-F513 AromaticContact CD1-CE1 3.99Å; Y479-F513 HydrophobicContact CD1-CE1 3.99Å; Y479-F513 AromaticContact CD1-CZ 3.63Å; Y479-F513 HydrophobicContact CD1-CZ 3.63Å; Y479-F513 HydrophobicContact CE1-CZ 4.36Å; Y479-F513 HydrophobicContact CG-CE1 4.31Å; Y479-F513 HydrophobicContact CG-CZ 4.21Å; L492-F513 HydrophobicContact CD2-CD1 4.32Å; M508-F513 HydrophobicContact CE-CD2 4.12Å; T509-F513 WeakPolarHBondContact O-CB 3.39Å; T509-F513 PolarHBondContact O-N 3.32Å; A511-F513 VanDerWaalsContact C-N 3.3Å; A511-F513 PolarHBondContact O-N 3.26Å; F513-Y515 VanDerWaalsContact C-N 3.33Å; F513-Y515 PolarHBondContact O-N 2.92Å; F513-K516 PolarHBondContact O-N 3.43Å; F513-H517 AromaticContact CD2-CD2 3.79Å; F513-H517 AromaticContact CE2-CD2 3.64Å; F513-H517 AromaticContact CE2-NE2 3.72Å; F513-H517 AromaticContact CZ-CD2 3.77Å; F513-H517 PolarHBondContact O-CD2 3.12Å; F513-H517 PolarHBondContact O-N 3.35Å; F513-L519 HydrophobicContact CD1-CD1 4.46Å; F513-L519 HydrophobicContact CE1-CD1 4.11Å
514	C	89.6	Confident	87.1	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-58.4	-45.6	175.9	-74.4	0	0	0	0	111.8	P510 A511 K516 H517 R518 L519 P520	P510-C514 PolarHBondContact O-N 3.06Å; P510-C514 PolarHBondContact O-SG 2.79Å; A511-C514 PolarHBondContact O-N 3.42Å; C514-K516 PolarHBondContact O-N 2.98Å; C514-H517 CarbonylContact O-C 3.3Å; C514-H517 PolarHBondContact O-N 3.04Å; C514-R518 CarbonylContact O-C 3.55Å; C514-R518 WeakPolarHBondContact O-CA 3.25Å; C514-R518 PolarHBondContact O-N 2.92Å; C514-L519 HydrophobicContact CB-CB 4.09Å; C514-L519 PolarHBondContact O-N 2.66Å; C514-P520 WeakPolarHBondContact CB-O 3.49Å; C514-P520 PolarHBondContact SG-O 3.25Å
515	Y	88.3	Confident	87.1	Confident	203 Å²	203	63.4 Å²	63.4	80%	0.796	33%	0.334	S	S	*	.	H	α-helix	trans	-58.7	-48.7	177.1	-178.7	-97.4	0	0	0	112.2	A511 E512 F513 H517 R518	A511-Y515 WeakPolarHBondContact O-CB 3.43Å; A511-Y515 PolarHBondContact O-N 3.5Å; E512-Y515 PolarHBondContact O-N 2.68Å; F513-Y515 VanDerWaalsContact C-N 3.33Å; F513-Y515 PolarHBondContact O-N 2.92Å; Y515-H517 VanDerWaalsContact C-N 3.31Å; Y515-H517 PolarHBondContact O-N 3.46Å; Y515-R518 PolarHBondContact O-N 3.41Å
516	K	88.9	Confident	87	Confident	133 Å²	133	59.1 Å²	59.1	58%	0.578	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-38.9	179.3	-175.3	178.7	-176.5	174.6	0	112.8	M508 E512 F513 C514	M508-K516 HydrophobicContact CE-CD 4.07Å; M508-K516 HydrophobicContact SD-CD 3.82Å; E512-K516 VanDerWaalsContact O-CB 3.26Å; E512-K516 WeakPolarHBondContact O-CB 3.34Å; E512-K516 PolarHBondContact O-N 3.4Å; F513-K516 PolarHBondContact O-N 3.43Å; C514-K516 PolarHBondContact O-N 2.98Å
517	H	86.6	Confident	86.3	Confident	36 Å²	36	58.9 Å²	58.9	17%	0.167	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.3	-177.9	-67.9	-75.5	0	0	0	113.8	Y479 F513 C514 Y515 L519	Y479-H517 HydrophobicContact CE1-CB 3.88Å; Y479-H517 AromaticContact CE1-CG 3.71Å; Y479-H517 AromaticContact CE1-ND1 3.64Å; F513-H517 AromaticContact CD2-CD2 3.79Å; F513-H517 AromaticContact CE2-CD2 3.64Å; F513-H517 AromaticContact CE2-NE2 3.72Å; F513-H517 AromaticContact CZ-CD2 3.77Å; F513-H517 PolarHBondContact O-CD2 3.12Å; F513-H517 PolarHBondContact O-N 3.35Å; C514-H517 CarbonylContact O-C 3.3Å; C514-H517 PolarHBondContact O-N 3.04Å; Y515-H517 VanDerWaalsContact C-N 3.31Å; Y515-H517 PolarHBondContact O-N 3.46Å; H517-L519 HydrophobicContact CB-CD1 4.25Å; H517-L519 HydrophobicContact CB-CG 4.03Å; H517-L519 PolarHBondContact O-N 3.45Å
518	R	84.7	Confident	85.3	Confident	183 Å²	183	60.3 Å²	60.3	69%	0.691	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	22.5	-179.2	-55.2	-178.6	178.9	179.1	0.4	115.1	C514 Y515 G552	C514-R518 CarbonylContact O-C 3.55Å; C514-R518 WeakPolarHBondContact O-CA 3.25Å; C514-R518 PolarHBondContact O-N 2.92Å; Y515-R518 PolarHBondContact O-N 3.41Å; R518-G552 PolarHBondContact O-N 3.02Å
519	L	86.6	Confident	83.8	Confident	23 Å²	23	61.3 Å²	61.3	12%	0.12	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.6	157.1	176	-54.1	179.7	0	0	0	110.6	Y479 C490 L492 F513 C514 H517	Y479-L519 HydrophobicContact CD2-CD1 4.16Å; Y479-L519 HydrophobicContact CE2-CD1 3.91Å; Y479-L519 HydrophobicContact CE2-CD2 3.85Å; Y479-L519 HydrophobicContact CE2-CG 4.41Å; C490-L519 HydrophobicContact CB-CD2 4.06Å; L492-L519 HydrophobicContact CD1-CD1 3.68Å; F513-L519 HydrophobicContact CD1-CD1 4.46Å; F513-L519 HydrophobicContact CE1-CD1 4.11Å; C514-L519 HydrophobicContact CB-CB 4.09Å; C514-L519 PolarHBondContact O-N 2.66Å; H517-L519 HydrophobicContact CB-CD1 4.25Å; H517-L519 HydrophobicContact CB-CG 4.03Å; H517-L519 PolarHBondContact O-N 3.45Å
520	P	85.3	Confident	82.2	Confident	13 Å²	13	63 Å²	63	8%	0.084	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-55.5	150.5	168.1	-25.4	36.6	0	0	0	112.4	C490 C514 L555	C490-P520 WeakPolarHBondContact O-CD 3.41Å; C514-P520 WeakPolarHBondContact CB-O 3.49Å; C514-P520 PolarHBondContact SG-O 3.25Å; P520-L555 HydrophobicContact CB-CD2 3.78Å; P520-L555 HydrophobicContact CG-CD2 3.67Å
521	P	86.6	Confident	80.4	Confident	65 Å²	65	67.1 Å²	67.1	42%	0.422	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-59.7	147.3	174.6	26.5	-34.7	0	0	0	111.1	L523	P521-L523 PolarHBondContact O-N 3.2Å
522	P	89.4	Confident	78.4	Confident	30 Å²	30	68.7 Å²	68.7	20%	0.195	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-54.7	132.3	-179.9	-25	33.7	0	0	0	112.3	Y464 L492 P510	Y464-P522 HydrophobicContact CE1-CB 4.43Å; L492-P522 HydrophobicContact CB-CB 4.45Å; P510-P522 HydrophobicContact CB-CG 3.83Å
523	L	89.2	Confident	76.4	Confident	11 Å²	11	66.9 Å²	66.9	6%	0.058	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.9	-179	-56.5	-177.3	0	0	0	110.5	V491 L492 V493 A494 P521 I537 R540	V491-L523 HydrophobicContact CG1-CD1 3.67Å; V491-L523 HydrophobicContact CG1-CG 4.21Å; L492-L523 PolarHBondContact O-N 3.49Å; V493-L523 CarbonylContact C-O 3.52Å; V493-L523 WeakPolarHBondContact CA-O 3.34Å; V493-L523 HydrophobicContact CG2-CB 4.44Å; A494-L523 PolarHBondContact N-O 2.89Å; P521-L523 PolarHBondContact O-N 3.2Å; L523-I537 HydrophobicContact CD1-CG1 4.48Å; L523-I537 HydrophobicContact CD1-CG2 4.15Å; L523-R540 HydrophobicContact CD1-CB 4.44Å; L523-R540 VanDerWaalsContact CD2-NH1 3.28Å
524	P	88.1	Confident	74.7	Confident	93 Å²	93	67.4 Å²	67.4	60%	0.604	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.6	175.6	29.1	-33.8	0	0	0	111	A494 A497 I537	A494-P524 CarbonylContact O-C 3.13Å; A497-P524 HydrophobicContact CB-CB 3.72Å; P524-I537 WeakPolarHBondContact O-CD1 3.5Å
525	F	86.9	Confident	73.4	Confident	13 Å²	13	70.5 Å²	70.5	6%	0.057	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.5	176	175	-105.7	0	0	0	111.2	F402 A405 M463 V493 A494 S495 K496 A497 I537	F402-F525 HydrophobicContact CB-CE1 3.94Å; F402-F525 HydrophobicContact CB-CZ 4.16Å; F402-F525 AromaticContact CD2-CD1 3.91Å; F402-F525 HydrophobicContact CD2-CD1 3.91Å; F402-F525 AromaticContact CD2-CD2 3.83Å; F402-F525 HydrophobicContact CD2-CD2 3.83Å; F402-F525 AromaticContact CD2-CE1 3.83Å; F402-F525 HydrophobicContact CD2-CE1 3.83Å; F402-F525 AromaticContact CD2-CE2 3.75Å; F402-F525 HydrophobicContact CD2-CE2 3.75Å; F402-F525 AromaticContact CD2-CG 3.92Å; F402-F525 HydrophobicContact CD2-CG 3.92Å; F402-F525 AromaticContact CD2-CZ 3.75Å; F402-F525 HydrophobicContact CD2-CZ 3.75Å; F402-F525 HydrophobicContact CE2-CD2 4.14Å; F402-F525 HydrophobicContact CE2-CE2 4.32Å; F402-F525 HydrophobicContact CE2-CG 4.38Å; F402-F525 HydrophobicContact CG-CE1 4.4Å; F402-F525 HydrophobicContact CG-CZ 4.43Å; A405-F525 HydrophobicContact CB-CE2 4.36Å; A405-F525 HydrophobicContact CB-CZ 4.01Å; M463-F525 HydrophobicContact CE-CD1 4.25Å; V493-F525 HydrophobicContact CG1-CB 3.66Å; A494-F525 PolarHBondContact O-N 3.42Å; S495-F525 CarbonylContact C-O 3.6Å; S495-F525 WeakPolarHBondContact CA-O 3.41Å; K496-F525 PolarHBondContact N-O 3.09Å; A497-F525 PolarHBondContact N-O 3.27Å; F525-I537 HydrophobicContact CB-CD1 3.98Å; F525-I537 HydrophobicContact CD2-CD1 3.94Å; F525-I537 HydrophobicContact CG-CD1 4.43Å
526	C	78.8	Confident	72.8	Confident	30 Å²	30	62.7 Å²	62.7	20%	0.203	37%	0.367	C	S	.	.			trans	-122.8	134.4	170.8	176.9	0	0	0	0	109	L528	C526-L528 PolarHBondContact SG-N 3.32Å; C526-L528 VanDerWaalsContact SG-N 3.38Å
527	G	64.7	Low	72.7	Confident	27 Å²	27	56.5 Å²	56.5	28%	0.278	34%	0.341	S	S	.	.	S	Bend	trans	-88	-1.7	178.8	0	0	0	0	0	114.6
528	L	61.3	Low	72.8	Confident	112 Å²	112	55.1 Å²	55.1	59%	0.586	33%	0.334	S	S	*	.	S	Bend	trans	-94.5	-29.6	-175.4	-60.8	174.2	0	0	0	113	C526	C526-L528 PolarHBondContact SG-N 3.32Å; C526-L528 VanDerWaalsContact SG-N 3.38Å
529	T	54.2	Low	72.8	Confident	71 Å²	71	48 Å²	48	44%	0.436	31%	0.313	S	S	.	.			trans	-125.2	117.3	174.6	57.6	0	0	0	0	111	D531	T529-D531 WeakPolarHBondContact CB-OD2 3.24Å; T529-D531 PolarHBondContact O-N 3.24Å; T529-D531 PolarHBondContact OG1-OD2 2.93Å
530	L	56.1	Low	72.9	Confident	103 Å²	103	51.7 Å²	51.7	54%	0.539	33%	0.325	S	S	.	.			trans	-83.4	56.2	172.4	-112.8	154.7	0	0	0	109.7	A405	A405-L530 HydrophobicContact CB-CD1 4.37Å
531	D	52.8	Low	73.1	Confident	94 Å²	94	51.1 Å²	51.1	50%	0.503	32%	0.321	S	S	.	.			trans	-65.9	161.8	176.8	-60.6	-43.1	0	0	0	110.5	T529 A533 G534 S535	T529-D531 WeakPolarHBondContact CB-OD2 3.24Å; T529-D531 PolarHBondContact O-N 3.24Å; T529-D531 PolarHBondContact OG1-OD2 2.93Å; D531-A533 PolarHBondContact O-N 3.34Å; D531-G534 PolarHBondContact O-N 2.98Å; D531-S535 PolarHBondContact O-N 3.44Å
532	A	48.2	Very low	73.1	Confident	92 Å²	92	48 Å²	48	76%	0.76	30%	0.301	S	S	*	.	H	α-helix	trans	-53.8	-26.9	178.6	0	0	0	0	0	113.4	S536	A532-S536 PolarHBondContact O-N 3.26Å
533	A	47.8	Very low	73	Confident	69 Å²	69	49.6 Å²	49.6	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-65.4	-40.2	172.8	0	0	0	0	0	113.4	D531 S536	D531-A533 PolarHBondContact O-N 3.34Å; A533-S536 WeakPolarHBondContact O-CB 3.32Å; A533-S536 PolarHBondContact O-N 3.22Å; A533-S536 PolarHBondContact O-OG 3.05Å
534	G	55.4	Low	72.9	Confident	12 Å²	12	49.5 Å²	49.5	12%	0.124	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-40.9	-179.7	0	0	0	0	0	112.7	D531 S536 I537	D531-G534 PolarHBondContact O-N 2.98Å; G534-S536 PolarHBondContact O-N 2.89Å; G534-I537 PolarHBondContact O-N 3.31Å
535	S	62.5	Low	72.9	Confident	68 Å²	68	45.4 Å²	45.4	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-36.3	172.3	-175.2	0	0	0	0	112	D531 I537 Y538	D531-S535 PolarHBondContact O-N 3.44Å; S535-I537 PolarHBondContact O-N 3.38Å; S535-I537 VanDerWaalsContact O-N 3.12Å; S535-Y538 PolarHBondContact O-N 3.47Å
536	S	74.3	Confident	72.7	Confident	38 Å²	38	45.7 Å²	45.7	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-21.5	-179.5	87.8	0	0	0	0	114.5	A532 A533 G534 R540	A532-S536 PolarHBondContact O-N 3.26Å; A533-S536 WeakPolarHBondContact O-CB 3.32Å; A533-S536 PolarHBondContact O-N 3.22Å; A533-S536 PolarHBondContact O-OG 3.05Å; G534-S536 PolarHBondContact O-N 2.89Å; S536-R540 WeakPolarHBondContact O-CB 3.44Å; S536-R540 VanDerWaalsContact O-CG 3.24Å; S536-R540 WeakPolarHBondContact O-CG 3.06Å; S536-R540 PolarHBondContact O-N 3.3Å
537	I	87.3	Confident	72.9	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-42.7	179.4	-58.5	172.7	0	0	0	110.5	F402 V493 L523 P524 F525 G534 S535 R540 L541	F402-I537 HydrophobicContact CE2-CG2 4Å; F402-I537 HydrophobicContact CZ-CG2 4.05Å; V493-I537 HydrophobicContact CG2-CG2 4.3Å; L523-I537 HydrophobicContact CD1-CG1 4.48Å; L523-I537 HydrophobicContact CD1-CG2 4.15Å; P524-I537 WeakPolarHBondContact O-CD1 3.5Å; F525-I537 HydrophobicContact CB-CD1 3.98Å; F525-I537 HydrophobicContact CD2-CD1 3.94Å; F525-I537 HydrophobicContact CG-CD1 4.43Å; G534-I537 PolarHBondContact O-N 3.31Å; S535-I537 PolarHBondContact O-N 3.38Å; S535-I537 VanDerWaalsContact O-N 3.12Å; I537-R540 PolarHBondContact O-N 3.03Å; I537-L541 HydrophobicContact CG2-CD1 4.26Å; I537-L541 WeakPolarHBondContact O-CG 3.46Å; I537-L541 PolarHBondContact O-N 2.97Å
538	Y	88.2	Confident	73.6	Confident	6 Å²	6	47.4 Å²	47.4	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-67.6	-41.3	179.4	-51.1	-70.3	0	0	0	111.6	F402 F406 L438 L440 S535 R540 L541 A542	F402-Y538 HydrophobicContact CD1-CE1 4.29Å; F402-Y538 HydrophobicContact CD2-CE1 4.23Å; F402-Y538 HydrophobicContact CE1-CD1 4.38Å; F402-Y538 AromaticContact CE1-CE1 3.75Å; F402-Y538 HydrophobicContact CE1-CE1 3.75Å; F402-Y538 AromaticContact CE2-CE1 3.68Å; F402-Y538 HydrophobicContact CE2-CE1 3.68Å; F402-Y538 AromaticContact CE2-CZ 3.98Å; F402-Y538 AromaticContact CZ-CD1 3.97Å; F402-Y538 HydrophobicContact CZ-CD1 3.97Å; F402-Y538 AromaticContact CZ-CE1 3.4Å; F402-Y538 HydrophobicContact CZ-CE1 3.4Å; F402-Y538 VanDerWaalsContact CZ-CE1 3.4Å; F402-Y538 PolarHBondContact O-OH 2.89Å; F402-Y538 VanDerWaalsContact O-OH 3.06Å; F406-Y538 HydrophobicContact CB-CD1 4.19Å; F406-Y538 HydrophobicContact CB-CE1 3.66Å; F406-Y538 HydrophobicContact CB-CE2 4.31Å; F406-Y538 AromaticContact CD2-CD1 3.5Å; F406-Y538 HydrophobicContact CD2-CD1 3.5Å; F406-Y538 AromaticContact CD2-CD2 3.66Å; F406-Y538 HydrophobicContact CD2-CD2 3.66Å; F406-Y538 AromaticContact CD2-CE1 3.85Å; F406-Y538 HydrophobicContact CD2-CE1 3.85Å; F406-Y538 AromaticContact CD2-CE2 3.99Å; F406-Y538 HydrophobicContact CD2-CE2 3.99Å; F406-Y538 AromaticContact CD2-CG 3.41Å; F406-Y538 HydrophobicContact CD2-CG 3.41Å; F406-Y538 VanDerWaalsContact CD2-CG 3.41Å; F406-Y538 HydrophobicContact CE2-CD1 4.06Å; F406-Y538 HydrophobicContact CE2-CD2 4.27Å; F406-Y538 AromaticContact CE2-CG 3.77Å; F406-Y538 HydrophobicContact CE2-CG 3.77Å; F406-Y538 AromaticContact CG-CD1 3.88Å; F406-Y538 HydrophobicContact CG-CD1 3.88Å; F406-Y538 AromaticContact CG-CE1 3.89Å; F406-Y538 HydrophobicContact CG-CE1 3.89Å; F406-Y538 HydrophobicContact CG-CG 4.25Å; F406-Y538 PolarHBondContact N-OH 2.94Å; L438-Y538 HydrophobicContact CD2-CD1 4.39Å; L440-Y538 HydrophobicContact CD1-CD1 4.2Å; L440-Y538 HydrophobicContact CD1-CE1 3.9Å; S535-Y538 PolarHBondContact O-N 3.47Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.1Å; Y538-L541 PolarHBondContact O-N 3.4Å; Y538-A542 WeakPolarHBondContact O-CB 3.43Å; Y538-A542 PolarHBondContact O-N 3.25Å
539	S	86.2	Confident	74	Confident	34 Å²	34	45 Å²	45	24%	0.238	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-36.7	171.4	-67.9	0	0	0	0	112.6	Q430 W543	Q430-S539 PolarHBondContact O-OG 2.73Å; S539-W543 VanDerWaalsContact O-CB 3.26Å; S539-W543 WeakPolarHBondContact O-CB 3.3Å; S539-W543 PolarHBondContact O-N 3.41Å
540	R	87	Confident	74.6	Confident	101 Å²	101	44.2 Å²	44.2	38%	0.381	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-42.9	174.7	-73.7	171	-165.8	-141.4	3.1	112.5	L523 S536 I537 Y538 W543 A544	L523-R540 HydrophobicContact CD1-CB 4.44Å; L523-R540 VanDerWaalsContact CD2-NH1 3.28Å; S536-R540 WeakPolarHBondContact O-CB 3.44Å; S536-R540 VanDerWaalsContact O-CG 3.24Å; S536-R540 WeakPolarHBondContact O-CG 3.06Å; S536-R540 PolarHBondContact O-N 3.3Å; I537-R540 PolarHBondContact O-N 3.03Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.1Å; R540-W543 PolarHBondContact O-N 3.39Å; R540-A544 WeakPolarHBondContact O-CB 3.32Å; R540-A544 PolarHBondContact O-N 3.13Å
541	L	90	Very high	74.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-47.7	175.4	-75.2	167.5	0	0	0	111.2	F402 L438 V459 C461 V491 I537 Y538 A544 A545	F402-L541 HydrophobicContact CE1-CD1 4.27Å; F402-L541 HydrophobicContact CZ-CD1 3.87Å; L438-L541 HydrophobicContact CD2-CB 4.27Å; V459-L541 HydrophobicContact CG1-CB 4.37Å; V459-L541 HydrophobicContact CG1-CD2 4.43Å; V459-L541 HydrophobicContact CG2-CD2 3.86Å; C461-L541 HydrophobicContact CB-CD1 4.43Å; C461-L541 HydrophobicContact CB-CD2 3.91Å; V491-L541 HydrophobicContact CB-CD2 3.8Å; V491-L541 HydrophobicContact CG1-CD2 4.23Å; V491-L541 HydrophobicContact CG2-CD2 3.96Å; I537-L541 HydrophobicContact CG2-CD1 4.26Å; I537-L541 WeakPolarHBondContact O-CG 3.46Å; I537-L541 PolarHBondContact O-N 2.97Å; Y538-L541 PolarHBondContact O-N 3.4Å; L541-A544 PolarHBondContact O-N 3.25Å; L541-A545 PolarHBondContact O-N 3.47Å
542	A	87.4	Confident	74.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-32.3	179.9	0	0	0	0	0	113	V429 I431 L438 Y538 A545 M546	V429-A542 HydrophobicContact CG2-CB 3.59Å; I431-A542 HydrophobicContact CD1-CB 3.58Å; L438-A542 HydrophobicContact CD1-CB 4.11Å; L438-A542 HydrophobicContact CD2-CB 4.47Å; Y538-A542 WeakPolarHBondContact O-CB 3.43Å; Y538-A542 PolarHBondContact O-N 3.25Å; A542-A545 PolarHBondContact O-N 3.01Å; A542-M546 WeakPolarHBondContact O-CG 3.36Å; A542-M546 PolarHBondContact O-N 2.82Å
543	W	86.6	Confident	74.2	Confident	63 Å²	63	39.2 Å²	39.2	24%	0.239	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-42.1	170.2	-174	97.7	0	0	0	111.7	I431 S539 R540 A545 M546 H547 L550 L555	I431-W543 HydrophobicContact CG2-CB 4.4Å; S539-W543 VanDerWaalsContact O-CB 3.26Å; S539-W543 WeakPolarHBondContact O-CB 3.3Å; S539-W543 PolarHBondContact O-N 3.41Å; R540-W543 PolarHBondContact O-N 3.39Å; W543-A545 VanDerWaalsContact C-N 3.33Å; W543-A545 PolarHBondContact O-N 2.95Å; W543-M546 WeakPolarHBondContact O-CB 3.23Å; W543-M546 PolarHBondContact O-N 3.36Å; W543-M546 VanDerWaalsContact O-N 3.15Å; W543-H547 AromaticContact CD1-CD2 4Å; W543-H547 AromaticContact CD2-CD2 3.99Å; W543-H547 AromaticContact CE2-CD2 3.74Å; W543-H547 HydrophobicContact CE3-CB 4.43Å; W543-H547 HydrophobicContact CH2-CB 4.36Å; W543-H547 HydrophobicContact CZ3-CB 4.27Å; W543-H547 AromaticContact NE1-CD2 3.69Å; W543-H547 PolarHBondContact O-N 3.16Å; W543-L550 HydrophobicContact CH2-CB 3.79Å; W543-L550 HydrophobicContact CH2-CD1 3.35Å; W543-L550 HydrophobicContact CH2-CG 4.18Å; W543-L550 HydrophobicContact CZ2-CD1 3.59Å; W543-L550 HydrophobicContact CZ3-CB 4.18Å; W543-L550 HydrophobicContact CZ3-CD1 4.3Å; W543-L555 HydrophobicContact CD2-CD1 3.94Å; W543-L555 HydrophobicContact CE3-CD1 3.25Å; W543-L555 HydrophobicContact CH2-CD1 3.92Å; W543-L555 HydrophobicContact CZ3-CD1 3.27Å
544	A	87.5	Confident	74.2	Confident	9 Å²	9	39 Å²	39	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-42.7	176	0	0	0	0	0	111.2	V459 P489 V491 R540 L541 M546 H547	V459-A544 HydrophobicContact CG2-CB 4.18Å; P489-A544 HydrophobicContact CB-CB 4.17Å; P489-A544 HydrophobicContact CG-CB 4.34Å; P489-A544 WeakPolarHBondContact CG-O 3.35Å; V491-A544 HydrophobicContact CG2-CB 4.38Å; R540-A544 WeakPolarHBondContact O-CB 3.32Å; R540-A544 PolarHBondContact O-N 3.13Å; L541-A544 PolarHBondContact O-N 3.25Å; A544-M546 VanDerWaalsContact C-N 3.33Å; A544-M546 PolarHBondContact O-N 2.92Å; A544-H547 CarbonylContact O-C 3.55Å; A544-H547 VanDerWaalsContact O-C 3.3Å; A544-H547 PolarHBondContact O-N 3.06Å
545	A	87.2	Confident	73.8	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-35.8	173.1	0	0	0	0	0	113.5	F387 D458 V459 L541 A542 W543	F387-A545 HydrophobicContact CB-CB 3.82Å; F387-A545 HydrophobicContact CD1-CB 3.78Å; F387-A545 HydrophobicContact CG-CB 3.84Å; D458-A545 HydrophobicContact CB-CB 3.93Å; V459-A545 HydrophobicContact CB-CB 4.13Å; V459-A545 HydrophobicContact CG1-CB 4.14Å; L541-A545 PolarHBondContact O-N 3.47Å; A542-A545 PolarHBondContact O-N 3.01Å; W543-A545 VanDerWaalsContact C-N 3.33Å; W543-A545 PolarHBondContact O-N 2.95Å
546	M	83.6	Confident	73	Confident	20 Å²	20	41.3 Å²	41.3	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-31	174.7	-79.7	-176.6	60.8	0	0	113.7	T382 F387 I431 K436 A542 W543 A544	T382-M546 HydrophobicContact CG2-CG 4.47Å; F387-M546 HydrophobicContact CD2-CG 4.4Å; F387-M546 HydrophobicContact CE1-CG 4.08Å; F387-M546 HydrophobicContact CE2-CG 3.5Å; F387-M546 HydrophobicContact CE2-SD 4.16Å; F387-M546 HydrophobicContact CZ-CB 4.46Å; F387-M546 HydrophobicContact CZ-CG 3.33Å; F387-M546 HydrophobicContact CZ-SD 4.37Å; I431-M546 HydrophobicContact CB-SD 4.4Å; I431-M546 HydrophobicContact CD1-CG 4.45Å; I431-M546 HydrophobicContact CD1-SD 3.48Å; I431-M546 WeakPolarHBondContact CD1-SD 3.49Å; I431-M546 HydrophobicContact CG2-SD 4.14Å; K436-M546 HydrophobicContact CD-SD 4.4Å; K436-M546 HydrophobicContact CG-SD 3.91Å; A542-M546 WeakPolarHBondContact O-CG 3.36Å; A542-M546 PolarHBondContact O-N 2.82Å; W543-M546 WeakPolarHBondContact O-CB 3.23Å; W543-M546 PolarHBondContact O-N 3.36Å; W543-M546 VanDerWaalsContact O-N 3.15Å; A544-M546 VanDerWaalsContact C-N 3.33Å; A544-M546 PolarHBondContact O-N 2.92Å
547	H	82.4	Confident	71.4	Confident	54 Å²	54	41.8 Å²	41.8	25%	0.25	23%	0.233	C	C	.	.			trans	-129.6	63.1	-175.6	-57.4	-75.6	0	0	0	113.8	W543 A544 H549 L550	W543-H547 AromaticContact CD1-CD2 4Å; W543-H547 AromaticContact CD2-CD2 3.99Å; W543-H547 AromaticContact CE2-CD2 3.74Å; W543-H547 HydrophobicContact CE3-CB 4.43Å; W543-H547 HydrophobicContact CH2-CB 4.36Å; W543-H547 HydrophobicContact CZ3-CB 4.27Å; W543-H547 AromaticContact NE1-CD2 3.69Å; W543-H547 PolarHBondContact O-N 3.16Å; A544-H547 CarbonylContact O-C 3.55Å; A544-H547 VanDerWaalsContact O-C 3.3Å; A544-H547 PolarHBondContact O-N 3.06Å; H547-H549 PolarHBondContact O-N 2.97Å; H547-L550 HydrophobicContact CB-CB 4.48Å; H547-L550 HydrophobicContact CB-CD1 3.73Å; H547-L550 HydrophobicContact CB-CG 4.06Å; H547-L550 PolarHBondContact O-N 3.1Å
548	P	79.1	Confident	69.3	Low	39 Å²	39	45.7 Å²	45.7	25%	0.253	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.5	-177.5	-25.8	36.5	0	0	0	115.2	L377 P489	L377-P548 HydrophobicContact CD2-CB 3.93Å; L377-P548 HydrophobicContact CD2-CG 3.97Å; P489-P548 HydrophobicContact CG-CB 4.38Å
549	H	70.6	Confident	67.2	Low	62 Å²	62	48.1 Å²	48.1	29%	0.287	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.3	-175.4	57.4	-94.4	0	0	0	114.2	R380 H547	R380-H549 PolarHBondContact O-CE1 3Å; H547-H549 PolarHBondContact O-N 2.97Å
550	L	66.3	Low	65.3	Low	53 Å²	53	50 Å²	50	28%	0.277	29%	0.287	S	S	.	.	S	Bend	trans	-97.5	118.5	178.2	-63.2	179.9	0	0	0	110	W543 H547	W543-L550 HydrophobicContact CH2-CB 3.79Å; W543-L550 HydrophobicContact CH2-CD1 3.35Å; W543-L550 HydrophobicContact CH2-CG 4.18Å; W543-L550 HydrophobicContact CZ2-CD1 3.59Å; W543-L550 HydrophobicContact CZ3-CB 4.18Å; W543-L550 HydrophobicContact CZ3-CD1 4.3Å; H547-L550 HydrophobicContact CB-CB 4.48Å; H547-L550 HydrophobicContact CB-CD1 3.73Å; H547-L550 HydrophobicContact CB-CG 4.06Å; H547-L550 PolarHBondContact O-N 3.1Å
551	N	54.5	Low	63.4	Low	88 Å²	88	54.5 Å²	54.5	47%	0.471	30%	0.304	S	S	.	.			trans	-67.8	151.4	-179	-75.5	-33.8	0	0	0	111.8	S553 D554	N551-S553 PolarHBondContact O-N 3.23Å; N551-D554 PolarHBondContact O-N 2.64Å
552	G	50.9	Low	61.3	Low	10 Å²	10	60.1 Å²	60.1	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-17	-174.7	0	0	0	0	0	116.2	R518 D554 L555	R518-G552 PolarHBondContact O-N 3.02Å; G552-D554 VanDerWaalsContact C-N 3.33Å; G552-D554 PolarHBondContact O-N 2.89Å; G552-L555 PolarHBondContact O-N 3.23Å
553	S	44.2	Very low	59.4	Low	87 Å²	87	69.3 Å²	69.3	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-32.3	174	48.9	0	0	0	0	113.9	N551	N551-S553 PolarHBondContact O-N 3.23Å
554	D	47.3	Very low	57.6	Low	63 Å²	63	69.6 Å²	69.6	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-83.6	-22.1	178.9	-69.5	-53	0	0	0	112.4	N551 G552 S556 F560	N551-D554 PolarHBondContact O-N 2.64Å; G552-D554 VanDerWaalsContact C-N 3.33Å; G552-D554 PolarHBondContact O-N 2.89Å; D554-S556 PolarHBondContact O-N 3.06Å; D554-F560 HydrophobicContact CB-CD2 4.23Å
555	L	46	Very low	55.7	Low	43 Å²	43	72 Å²	72	23%	0.225	40%	0.397	C	S	.	.	H	α-helix	trans	-69.3	-19.3	175.9	-157.8	77.9	0	0	0	113	P520 W543 G552	P520-L555 HydrophobicContact CB-CD2 3.78Å; P520-L555 HydrophobicContact CG-CD2 3.67Å; W543-L555 HydrophobicContact CD2-CD1 3.94Å; W543-L555 HydrophobicContact CE3-CD1 3.25Å; W543-L555 HydrophobicContact CH2-CD1 3.92Å; W543-L555 HydrophobicContact CZ3-CD1 3.27Å; G552-L555 PolarHBondContact O-N 3.23Å
556	S	47.5	Very low	53.8	Low	87 Å²	87	77 Å²	77	61%	0.608	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.9	-175.4	-172.8	0	0	0	0	114.5	D554	D554-S556 PolarHBondContact O-N 3.06Å
557	S	39	Very low	52	Low	48 Å²	48	77.9 Å²	77.9	34%	0.336	44%	0.436	S	S	.	.			trans	-131.2	114.1	-161.3	-93.8	0	0	0	0	114.7	S559 F560	S557-S559 WeakPolarHBondContact CB-OG 3.41Å; S557-S559 PolarHBondContact O-N 3.17Å; S557-S559 PolarHBondContact OG-OG 2.91Å; S557-F560 PolarHBondContact O-N 2.91Å; S557-F560 VanDerWaalsContact O-N 3.1Å
558	A	43.5	Very low	50.6	Low	86 Å²	86	78.9 Å²	78.9	71%	0.711	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.3	161.7	0	0	0	0	0	112.7	F560 W561	A558-F560 PolarHBondContact O-N 2.94Å; A558-W561 PolarHBondContact O-N 3.05Å
559	S	44.8	Very low	49.4	Very low	56 Å²	56	79.5 Å²	79.5	39%	0.392	46%	0.458	S	S	.	.	H	α-helix	trans	-53.6	-30	172.6	-30.5	0	0	0	0	114.9	S557 R563	S557-S559 WeakPolarHBondContact CB-OG 3.41Å; S557-S559 PolarHBondContact O-N 3.17Å; S557-S559 PolarHBondContact OG-OG 2.91Å; S559-R563 PolarHBondContact O-N 3.12Å
560	F	46.7	Very low	48.9	Very low	73 Å²	73	80.5 Å²	80.5	32%	0.32	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-44.3	-177.6	-176	-97.9	0	0	0	111.5	D554 S557 A558 L562 R563 V564	D554-F560 HydrophobicContact CB-CD2 4.23Å; S557-F560 PolarHBondContact O-N 2.91Å; S557-F560 VanDerWaalsContact O-N 3.1Å; A558-F560 PolarHBondContact O-N 2.94Å; F560-L562 VanDerWaalsContact C-N 3.34Å; F560-L562 PolarHBondContact O-N 3.39Å; F560-R563 PolarHBondContact O-N 2.85Å; F560-R563 VanDerWaalsContact O-N 3.13Å; F560-V564 HydrophobicContact CD1-CG2 4.02Å; F560-V564 HydrophobicContact CE1-CG2 3.61Å; F560-V564 HydrophobicContact CE2-CG2 4.22Å; F560-V564 HydrophobicContact CG-CG2 4.49Å; F560-V564 HydrophobicContact CZ-CG2 3.72Å; F560-V564 WeakPolarHBondContact O-CG2 3.39Å; F560-V564 PolarHBondContact O-N 2.82Å
561	W	46.7	Very low	48.8	Very low	197 Å²	197	82.9 Å²	82.9	75%	0.746	49%	0.485	S	S	*	.	H	α-helix	trans	-61	-40.2	177.2	-77.8	100.1	0	0	0	112.8	A558 R563 V564 A565	A558-W561 PolarHBondContact O-N 3.05Å; W561-R563 PolarHBondContact O-N 2.95Å; W561-V564 PolarHBondContact O-N 3.26Å; W561-A565 VanDerWaalsContact O-CB 3.23Å; W561-A565 WeakPolarHBondContact O-CB 3.39Å; W561-A565 PolarHBondContact O-N 2.92Å
562	L	45.3	Very low	49.4	Very low	118 Å²	118	81.8 Å²	81.8	62%	0.618	49%	0.488	S	S	*	.	H	α-helix	trans	-59.8	-43.1	173.6	-95.9	159	0	0	0	112.2	F560 L566	F560-L562 VanDerWaalsContact C-N 3.34Å; F560-L562 PolarHBondContact O-N 3.39Å; L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 WeakPolarHBondContact O-CD1 3.4Å; L562-L566 VanDerWaalsContact O-CG 3.3Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 2.65Å
563	R	46.7	Very low	50.3	Low	192 Å²	192	86.1 Å²	86.1	73%	0.725	51%	0.512	S	S	*	.	H	α-helix	trans	-70.8	-40.3	-179.8	-71.4	176.9	176.5	172.3	-1	112.8	S559 F560 W561 G567	S559-R563 PolarHBondContact O-N 3.12Å; F560-R563 PolarHBondContact O-N 2.85Å; F560-R563 VanDerWaalsContact O-N 3.13Å; W561-R563 PolarHBondContact O-N 2.95Å; R563-G567 PolarHBondContact O-N 3.02Å
564	V	50.5	Low	51.4	Low	70 Å²	70	87.1 Å²	87.1	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-70.4	-37.8	177.7	175	0	0	0	0	111.8	F560 W561 S568	F560-V564 HydrophobicContact CD1-CG2 4.02Å; F560-V564 HydrophobicContact CE1-CG2 3.61Å; F560-V564 HydrophobicContact CE2-CG2 4.22Å; F560-V564 HydrophobicContact CG-CG2 4.49Å; F560-V564 HydrophobicContact CZ-CG2 3.72Å; F560-V564 WeakPolarHBondContact O-CG2 3.39Å; F560-V564 PolarHBondContact O-N 2.82Å; W561-V564 PolarHBondContact O-N 3.26Å; V564-S568 PolarHBondContact O-N 2.81Å; V564-S568 VanDerWaalsContact O-N 3.1Å; V564-S568 PolarHBondContact O-OG 2.84Å
565	A	47.8	Very low	52.6	Low	59 Å²	59	86.1 Å²	86.1	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-43.6	174.2	0	0	0	0	0	112.1	W561 S568 A569	W561-A565 VanDerWaalsContact O-CB 3.23Å; W561-A565 WeakPolarHBondContact O-CB 3.39Å; W561-A565 PolarHBondContact O-N 2.92Å; A565-S568 PolarHBondContact O-OG 3.23Å; A565-A569 WeakPolarHBondContact O-CB 3.42Å; A565-A569 PolarHBondContact O-N 3.39Å; A565-A569 VanDerWaalsContact O-N 3.11Å
566	L	45.9	Very low	54	Low	111 Å²	111	90.2 Å²	90.2	58%	0.581	53%	0.531	S	S	*	.	H	α-helix	trans	-65.4	-42.5	175.7	-78	165.1	0	0	0	112.3	L562 A569 V570	L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 WeakPolarHBondContact O-CD1 3.4Å; L562-L566 VanDerWaalsContact O-CG 3.3Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 2.65Å; L566-A569 PolarHBondContact O-N 3.23Å; L566-V570 WeakPolarHBondContact O-CG2 3.49Å; L566-V570 PolarHBondContact O-N 3.36Å
567	G	46.1	Very low	55.1	Low	39 Å²	39	88.6 Å²	88.6	40%	0.402	52%	0.523	S	S	.	.	H	α-helix	trans	-62.3	-46.3	178.9	0	0	0	0	0	113	R563 V570 V571	R563-G567 PolarHBondContact O-N 3.02Å; G567-V570 PolarHBondContact O-N 3.44Å; G567-V571 WeakPolarHBondContact O-CG2 3.2Å; G567-V571 PolarHBondContact O-N 3.05Å; G567-V571 VanDerWaalsContact O-N 3.14Å
568	S	53.8	Low	57	Low	75 Å²	75	90.8 Å²	90.8	52%	0.524	53%	0.534	S	S	.	.	H	α-helix	trans	-67.3	-37.5	178.3	53.9	0	0	0	0	112.6	V564 A565 V571 A572	V564-S568 PolarHBondContact O-N 2.81Å; V564-S568 VanDerWaalsContact O-N 3.1Å; V564-S568 PolarHBondContact O-OG 2.84Å; A565-S568 PolarHBondContact O-OG 3.23Å; S568-V571 PolarHBondContact O-N 3.06Å; S568-A572 WeakPolarHBondContact O-CB 3.44Å; S568-A572 PolarHBondContact O-N 3.27Å
569	A	52.6	Low	58.6	Low	52 Å²	52	94.4 Å²	94.4	43%	0.43	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-44	173.7	0	0	0	0	0	112.9	A565 L566 A572 V573	A565-A569 WeakPolarHBondContact O-CB 3.42Å; A565-A569 PolarHBondContact O-N 3.39Å; A565-A569 VanDerWaalsContact O-N 3.11Å; L566-A569 PolarHBondContact O-N 3.23Å; A569-A572 PolarHBondContact O-N 2.68Å; A569-V573 WeakPolarHBondContact O-CG2 3.26Å; A569-V573 PolarHBondContact O-N 3.49Å
570	V	59.9	Low	60	Low	83 Å²	83	98.5 Å²	98.5	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-42.5	178.4	170	0	0	0	0	111.5	L566 G567 V573 L574	L566-V570 WeakPolarHBondContact O-CG2 3.49Å; L566-V570 PolarHBondContact O-N 3.36Å; G567-V570 PolarHBondContact O-N 3.44Å; V570-V573 PolarHBondContact O-N 3.31Å; V570-L574 HydrophobicContact CG1-CD1 3.85Å; V570-L574 HydrophobicContact CG1-CG 4.47Å; V570-L574 WeakPolarHBondContact O-CB 3.37Å; V570-L574 WeakPolarHBondContact O-CG 3.45Å; V570-L574 PolarHBondContact O-N 2.92Å
571	V	65.6	Low	61.2	Low	103 Å²	103	97.6 Å²	97.6	62%	0.624	54%	0.543	S	S	*	.	H	α-helix	trans	-64.6	-40.9	176.3	173.9	0	0	0	0	111.4	G567 S568 G575	G567-V571 WeakPolarHBondContact O-CG2 3.2Å; G567-V571 PolarHBondContact O-N 3.05Å; G567-V571 VanDerWaalsContact O-N 3.14Å; S568-V571 PolarHBondContact O-N 3.06Å; V571-G575 PolarHBondContact O-N 3.12Å
572	A	65.9	Low	62.5	Low	65 Å²	65	92.3 Å²	92.3	54%	0.537	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-42.6	176.5	0	0	0	0	0	112.5	S568 A569 G575 F576	S568-A572 WeakPolarHBondContact O-CB 3.44Å; S568-A572 PolarHBondContact O-N 3.27Å; A569-A572 PolarHBondContact O-N 2.68Å; A572-G575 PolarHBondContact O-N 3.43Å; A572-F576 VanDerWaalsContact O-CB 3.29Å; A572-F576 WeakPolarHBondContact O-CB 3.49Å; A572-F576 PolarHBondContact O-N 3Å
573	V	70.9	Confident	63.6	Low	102 Å²	102	89.3 Å²	89.3	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-67.3	-43.1	178	171.2	0	0	0	0	111.6	A569 V570 F576 A577	A569-V573 WeakPolarHBondContact O-CG2 3.26Å; A569-V573 PolarHBondContact O-N 3.49Å; V570-V573 PolarHBondContact O-N 3.31Å; V573-F576 PolarHBondContact O-N 2.81Å; V573-A577 VanDerWaalsContact O-CB 3.31Å; V573-A577 WeakPolarHBondContact O-CB 3.43Å; V573-A577 PolarHBondContact O-N 3.25Å
574	L	67.8	Low	64.6	Low	107 Å²	107	89 Å²	89	56%	0.56	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-44.1	175.1	-73.9	170.7	0	0	0	111.7	V570 F576 A577 V578	V570-L574 HydrophobicContact CG1-CD1 3.85Å; V570-L574 HydrophobicContact CG1-CG 4.47Å; V570-L574 WeakPolarHBondContact O-CB 3.37Å; V570-L574 WeakPolarHBondContact O-CG 3.45Å; V570-L574 PolarHBondContact O-N 2.92Å; L574-F576 PolarHBondContact O-N 3.35Å; L574-A577 PolarHBondContact O-N 3.35Å; L574-V578 WeakPolarHBondContact O-CB 3.47Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; L574-V578 PolarHBondContact O-N 3.35Å
575	G	71.8	Confident	65	Low	42 Å²	42	93 Å²	93	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-60.1	-43.3	175.4	0	0	0	0	0	112.5	V571 A572 V578 Y579	V571-G575 PolarHBondContact O-N 3.12Å; A572-G575 PolarHBondContact O-N 3.43Å; G575-V578 PolarHBondContact O-N 2.61Å; G575-Y579 VanDerWaalsContact O-CB 3.26Å; G575-Y579 WeakPolarHBondContact O-CB 3.33Å; G575-Y579 PolarHBondContact O-N 2.87Å
576	F	75.3	Confident	64.9	Low	130 Å²	130	101.7 Å²	101.7	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-67.6	-38.4	175.8	-172.6	-101.7	0	0	0	112.6	A572 V573 L574 R580	A572-F576 VanDerWaalsContact O-CB 3.29Å; A572-F576 WeakPolarHBondContact O-CB 3.49Å; A572-F576 PolarHBondContact O-N 3Å; V573-F576 PolarHBondContact O-N 2.81Å; L574-F576 PolarHBondContact O-N 3.35Å; F576-R580 VanDerWaalsContact O-CB 3.25Å; F576-R580 WeakPolarHBondContact O-CB 3.44Å; F576-R580 PolarHBondContact O-N 3.05Å
577	A	71.1	Confident	65.9	Low	53 Å²	53	101.3 Å²	101.3	44%	0.438	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-44.6	175.4	0	0	0	0	0	112	V573 L574 R580 A581	V573-A577 VanDerWaalsContact O-CB 3.31Å; V573-A577 WeakPolarHBondContact O-CB 3.43Å; V573-A577 PolarHBondContact O-N 3.25Å; L574-A577 PolarHBondContact O-N 3.35Å; A577-R580 PolarHBondContact O-N 3.38Å; A577-A581 WeakPolarHBondContact O-CB 3.47Å; A577-A581 PolarHBondContact O-N 2.93Å
578	V	77.8	Confident	66.9	Low	93 Å²	93	104.5 Å²	104.5	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-64.2	-46.6	175.1	171.2	0	0	0	0	110.8	L574 G575 R580 A581 V582	L574-V578 WeakPolarHBondContact O-CB 3.47Å; L574-V578 WeakPolarHBondContact O-CG2 3.39Å; L574-V578 PolarHBondContact O-N 3.35Å; G575-V578 PolarHBondContact O-N 2.61Å; V578-R580 VanDerWaalsContact C-N 3.31Å; V578-R580 PolarHBondContact O-N 3.05Å; V578-A581 PolarHBondContact O-N 3.37Å; V578-A581 VanDerWaalsContact O-N 3.17Å; V578-V582 HydrophobicContact CG1-CG2 4.41Å; V578-V582 WeakPolarHBondContact O-CG2 3.18Å; V578-V582 PolarHBondContact O-N 3.08Å
579	Y	78.2	Confident	67.6	Low	163 Å²	163	106.2 Å²	106.2	64%	0.639	58%	0.579	S	S	*	*	H	α-helix	trans	-55.4	-46	174.4	175.4	-101	0	0	0	111.6	G575 A581 V582 A583	G575-Y579 VanDerWaalsContact O-CB 3.26Å; G575-Y579 WeakPolarHBondContact O-CB 3.33Å; G575-Y579 PolarHBondContact O-N 2.87Å; Y579-A581 VanDerWaalsContact C-N 3.34Å; Y579-A581 PolarHBondContact O-N 3.38Å; Y579-V582 PolarHBondContact O-N 3.06Å; Y579-A583 VanDerWaalsContact O-CB 3.23Å; Y579-A583 WeakPolarHBondContact O-CB 3.4Å; Y579-A583 PolarHBondContact O-N 3.25Å
580	R	72.6	Confident	68.5	Low	142 Å²	142	109.4 Å²	109.4	54%	0.536	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-24.9	-180	-160.5	176.6	-169.4	-172	4.7	113.5	F576 A577 V578 R584	F576-R580 VanDerWaalsContact O-CB 3.25Å; F576-R580 WeakPolarHBondContact O-CB 3.44Å; F576-R580 PolarHBondContact O-N 3.05Å; A577-R580 PolarHBondContact O-N 3.38Å; V578-R580 VanDerWaalsContact C-N 3.31Å; V578-R580 PolarHBondContact O-N 3.05Å; R580-R584 WeakPolarHBondContact O-CD 3.5Å; R580-R584 WeakPolarHBondContact O-CG 3.27Å
581	A	73	Confident	69.1	Low	53 Å²	53	111 Å²	111	44%	0.438	59%	0.593	S	S	.	*	H	α-helix	trans	-74.1	-46	171.2	0	0	0	0	0	111.3	A577 V578 Y579 A583 R584 L585	A577-A581 WeakPolarHBondContact O-CB 3.47Å; A577-A581 PolarHBondContact O-N 2.93Å; V578-A581 PolarHBondContact O-N 3.37Å; V578-A581 VanDerWaalsContact O-N 3.17Å; Y579-A581 VanDerWaalsContact C-N 3.34Å; Y579-A581 PolarHBondContact O-N 3.38Å; A581-A583 VanDerWaalsContact C-N 3.34Å; A581-A583 PolarHBondContact O-N 3.01Å; A581-R584 PolarHBondContact O-N 3.33Å; A581-R584 VanDerWaalsContact O-N 3.14Å; A581-L585 PolarHBondContact O-N 2.84Å
582	V	74.6	Confident	69.3	Low	87 Å²	87	111.5 Å²	111.5	53%	0.527	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-39.4	176.1	173.6	0	0	0	0	111.3	V578 Y579 R584 L585	V578-V582 HydrophobicContact CG1-CG2 4.41Å; V578-V582 WeakPolarHBondContact O-CG2 3.18Å; V578-V582 PolarHBondContact O-N 3.08Å; Y579-V582 PolarHBondContact O-N 3.06Å; V582-R584 PolarHBondContact O-N 2.68Å; V582-L585 PolarHBondContact O-N 2.97Å; V582-L585 VanDerWaalsContact O-N 3.13Å
583	A	67.3	Low	69.5	Low	54 Å²	54	114.9 Å²	114.9	45%	0.446	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-0.9	175.7	0	0	0	0	0	114.8	Y579 A581	Y579-A583 VanDerWaalsContact O-CB 3.23Å; Y579-A583 WeakPolarHBondContact O-CB 3.4Å; Y579-A583 PolarHBondContact O-N 3.25Å; A581-A583 VanDerWaalsContact C-N 3.34Å; A581-A583 PolarHBondContact O-N 3.01Å
584	R	68.1	Low	69.4	Low	186 Å²	186	115.8 Å²	115.8	70%	0.702	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-3.4	170.4	-76.7	174.1	169.4	-177.9	-4.4	113.2	R580 A581 V582	R580-R584 WeakPolarHBondContact O-CD 3.5Å; R580-R584 WeakPolarHBondContact O-CG 3.27Å; A581-R584 PolarHBondContact O-N 3.33Å; A581-R584 VanDerWaalsContact O-N 3.14Å; V582-R584 PolarHBondContact O-N 2.68Å
585	L	58.1	Low	69.6	Low	155 Å²	155	116.6 Å²	116.6	81%	0.812	60%	0.596	S	S	*	*			trans	-107.6	9.9	177	-73.1	164.7	0	0	0	112	A581 V582	A581-L585 PolarHBondContact O-N 2.84Å; V582-L585 PolarHBondContact O-N 2.97Å; V582-L585 VanDerWaalsContact O-N 3.13Å
586	K	46.9	Very low	69.4	Low	241 Å²	241	123.4 Å²	123.4	100%	1.048	61%	0.611	S	S	*	*			trans	-116.4	0	161.6	-78.7	-176.4	172.2	-176.2	0	108.1

Retrieved 586 of 586 residues in 352.7 ms (Link to these results)

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