A0A077ZCK2_TRITR Loading...

General transcription and DNA repair factor IIH helicase subunit XPD

AlphaFold DB , UniProt , Accession A0A077ZCK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	83	Confident	82.9	Confident	88 Å²	88	34.5 Å²	34.5	43%	0.433	23%	0.234	S	C	.	.				0	139.4	0	-77.1	-175.9	171.8	0	0	108.6	K7 S414 G415 F437	M1-K7 HydrophobicContact CB-CD 3.64Å; M1-K7 HydrophobicContact CB-CG 3.65Å; M1-K7 WeakPolarHBondContact O-CD 3.45Å; M1-K7 HydrophobicContact SD-CB 4.45Å; M1-K7 HydrophobicContact SD-CG 4.23Å; M1-S414 PolarHBondContact N-O 3.17Å; M1-S414 CarbonylContact O-C 3.57Å; M1-S414 VanDerWaalsContact O-O 3.07Å; M1-G415 WeakPolarHBondContact O-CA 3.22Å; M1-F437 HydrophobicContact CB-CD2 4.35Å; M1-F437 HydrophobicContact CE-CD2 4.49Å; M1-F437 HydrophobicContact CE-CE2 4.15Å; M1-F437 HydrophobicContact CE-CZ 4.38Å; M1-F437 HydrophobicContact CG-CD2 3.46Å; M1-F437 VanDerWaalsContact CG-CD2 3.46Å; M1-F437 HydrophobicContact CG-CE2 3.85Å; M1-F437 HydrophobicContact CG-CG 4.16Å
2	P	80.9	Confident	83.8	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.019	22%	0.215	C	C	.	.			trans	-62.3	155.9	180	-23.8	34.2	0	0	0	114.3	T5 K7 F437 M439 W650	P2-T5 HydrophobicContact CB-CG2 4.16Å; P2-T5 PolarHBondContact O-OG1 3.28Å; P2-K7 WeakPolarHBondContact O-CD 3.48Å; P2-F437 WeakPolarHBondContact CD-O 3.26Å; P2-F437 WeakPolarHBondContact CG-O 3.33Å; P2-M439 HydrophobicContact CB-CE 3.47Å; P2-M439 VanDerWaalsContact CB-CE 3.47Å; P2-M439 HydrophobicContact CB-SD 4.35Å; P2-M439 HydrophobicContact CG-CB 4.39Å; P2-M439 HydrophobicContact CG-CE 4.3Å; P2-W650 HydrophobicContact CB-CB 4.34Å; P2-W650 HydrophobicContact CB-CD2 4.31Å; P2-W650 HydrophobicContact CB-CG 3.93Å; P2-W650 HydrophobicContact CG-CB 3.98Å; P2-W650 HydrophobicContact CG-CG 3.98Å
3	S	75.6	Confident	84.5	Confident	20 Å²	20	33 Å²	33	14%	0.14	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	141.7	172	-61.1	0	0	0	0	111.6	M439 G619	S3-M439 WeakPolarHBondContact O-CE 3.24Å; S3-G619 WeakPolarHBondContact CB-O 3.17Å
4	G	69.9	Low	85.1	Confident	23 Å²	23	39.6 Å²	39.6	24%	0.237	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	8.9	177	0	0	0	0	0	117.3	R623	G4-R623 WeakPolarHBondContact CA-O 3.46Å
5	T	71.3	Confident	85.5	Confident	48 Å²	48	37.7 Å²	37.7	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-90.2	3.5	175.1	63.4	0	0	0	0	114.6	P2 K7 M439	P2-T5 HydrophobicContact CB-CG2 4.16Å; P2-T5 PolarHBondContact O-OG1 3.28Å; T5-K7 WeakPolarHBondContact OG1-CG 3.39Å; T5-M439 HydrophobicContact CG2-CE 3.64Å; T5-M439 HydrophobicContact CG2-SD 3.44Å; T5-M439 WeakPolarHBondContact CG2-SD 3.29Å
6	G	80.5	Confident	85.9	Confident	39 Å²	39	36.1 Å²	36.1	40%	0.402	23%	0.232	S	C	.	.			trans	73.7	38.7	-173.1	0	0	0	0	0	113.4	T8 A9 S10	G6-T8 PolarHBondContact O-N 3.31Å; G6-A9 PolarHBondContact O-N 3.3Å; G6-S10 WeakPolarHBondContact O-CB 3.47Å; G6-S10 PolarHBondContact O-N 3.3Å; G6-S10 PolarHBondContact O-OG 3.24Å
7	K	87.2	Confident	86.3	Confident	24 Å²	24	37.5 Å²	37.5	10%	0.104	25%	0.247	C	C	.	.	H	α-helix	trans	-50.8	-53.3	-178.2	-57.1	-179	-61.6	-152.3	0	111.8	M1 P2 T5 S10 L11 E194	M1-K7 HydrophobicContact CB-CD 3.64Å; M1-K7 HydrophobicContact CB-CG 3.65Å; M1-K7 WeakPolarHBondContact O-CD 3.45Å; M1-K7 HydrophobicContact SD-CB 4.45Å; M1-K7 HydrophobicContact SD-CG 4.23Å; P2-K7 WeakPolarHBondContact O-CD 3.48Å; T5-K7 WeakPolarHBondContact OG1-CG 3.39Å; K7-S10 PolarHBondContact O-N 3.19Å; K7-S10 PolarHBondContact O-OG 3.2Å; K7-L11 WeakPolarHBondContact O-CB 3.36Å; K7-L11 PolarHBondContact O-N 3.4Å; K7-E194 IonicContact NZ-OE1 3.74Å; K7-E194 PolarHBondContact NZ-OE1 3.42Å
8	T	89.4	Confident	86.6	Confident	18 Å²	18	40.9 Å²	40.9	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-55.4	-177.5	-53.1	0	0	0	0	111	G6 S10 L11 L12 Y31 V42 E45	G6-T8 PolarHBondContact O-N 3.31Å; T8-S10 VanDerWaalsContact C-N 3.35Å; T8-S10 PolarHBondContact O-N 2.85Å; T8-L11 PolarHBondContact O-N 3.04Å; T8-L12 HydrophobicContact CG2-CD1 4.01Å; T8-L12 HydrophobicContact CG2-CG 4.42Å; T8-L12 WeakPolarHBondContact O-CB 3.09Å; T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 3.49Å; T8-Y31 PolarHBondContact OG1-OH 2.88Å; T8-V42 HydrophobicContact CG2-CB 4.27Å; T8-V42 HydrophobicContact CG2-CG1 4.1Å; T8-V42 HydrophobicContact CG2-CG2 3.81Å; T8-E45 WeakPolarHBondContact CB-OE2 3.34Å; T8-E45 WeakPolarHBondContact CG2-OE2 3.26Å
9	A	90.3	Very high	86.9	Confident	43 Å²	43	39.5 Å²	39.5	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-52.7	-46	173.8	0	0	0	0	0	113.7	G6 L11 S13 E45	G6-A9 PolarHBondContact O-N 3.3Å; A9-L11 PolarHBondContact O-N 3.35Å; A9-S13 VanDerWaalsContact O-CB 3.29Å; A9-S13 WeakPolarHBondContact O-CB 3.22Å; A9-S13 PolarHBondContact O-N 3.28Å; A9-S13 PolarHBondContact O-OG 2.97Å; A9-E45 PolarHBondContact N-OE2 2.73Å
10	S	91.4	Very high	86.9	Confident	52 Å²	52	41.6 Å²	41.6	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-64.8	-40.1	179.3	70.3	0	0	0	0	112.7	G6 K7 T8 L14	G6-S10 WeakPolarHBondContact O-CB 3.47Å; G6-S10 PolarHBondContact O-N 3.3Å; G6-S10 PolarHBondContact O-OG 3.24Å; K7-S10 PolarHBondContact O-N 3.19Å; K7-S10 PolarHBondContact O-OG 3.2Å; T8-S10 VanDerWaalsContact C-N 3.35Å; T8-S10 PolarHBondContact O-N 2.85Å; S10-L14 WeakPolarHBondContact O-CB 3.32Å; S10-L14 PolarHBondContact O-N 3.38Å
11	L	92.4	Very high	87.2	Confident	22 Å²	22	42.6 Å²	42.6	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-70.7	-47.6	-179	-164.5	154.7	0	0	0	110.5	K7 T8 A9 S13 L14 V15 Y31 V191 T413	K7-L11 WeakPolarHBondContact O-CB 3.36Å; K7-L11 PolarHBondContact O-N 3.4Å; T8-L11 PolarHBondContact O-N 3.04Å; A9-L11 PolarHBondContact O-N 3.35Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.95Å; L11-V15 HydrophobicContact CD2-CG2 3.88Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.71Å; L11-Y31 HydrophobicContact CD2-CD2 4.45Å; L11-Y31 HydrophobicContact CD2-CE2 4.11Å; L11-V191 HydrophobicContact CD1-CG1 3.54Å; L11-V191 HydrophobicContact CD1-CG2 4.4Å; L11-V191 HydrophobicContact CD2-CB 4.22Å; L11-V191 HydrophobicContact CD2-CG1 3.81Å; L11-V191 HydrophobicContact CD2-CG2 3.5Å; L11-V191 VanDerWaalsContact CD2-CG2 3.5Å; L11-V191 HydrophobicContact CG-CG1 4.35Å; L11-T413 HydrophobicContact CD1-CG2 4.07Å
12	L	93.3	Very high	87.6	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-46.6	176	-69.1	176.7	0	0	0	111	T8 L14 V15 I16 L29 Y31 V42 E45 L46 L49	T8-L12 HydrophobicContact CG2-CD1 4.01Å; T8-L12 HydrophobicContact CG2-CG 4.42Å; T8-L12 WeakPolarHBondContact O-CB 3.09Å; T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 3.49Å; L12-L14 PolarHBondContact O-N 3.22Å; L12-V15 PolarHBondContact O-N 3.18Å; L12-I16 VanDerWaalsContact O-CB 3.3Å; L12-I16 WeakPolarHBondContact O-CB 3.33Å; L12-I16 WeakPolarHBondContact O-CD1 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 3.11Å; L12-L29 HydrophobicContact CD2-CD2 3.93Å; L12-Y31 HydrophobicContact CD2-CD2 4Å; L12-Y31 HydrophobicContact CD2-CE2 4.24Å; L12-V42 HydrophobicContact CD1-CG1 4.13Å; L12-V42 HydrophobicContact CD2-CG1 4.36Å; L12-E45 HydrophobicContact CD1-CB 4.24Å; L12-L46 HydrophobicContact CD1-CB 4.23Å; L12-L49 HydrophobicContact CB-CD2 4.1Å
13	S	92.7	Very high	87.8	Confident	48 Å²	48	48 Å²	48	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-46.3	179.6	-57.3	0	0	0	0	112	A9 L11 A17 L49	A9-S13 VanDerWaalsContact O-CB 3.29Å; A9-S13 WeakPolarHBondContact O-CB 3.22Å; A9-S13 PolarHBondContact O-N 3.28Å; A9-S13 PolarHBondContact O-OG 2.97Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.49Å; S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.4Å; S13-A17 PolarHBondContact O-N 3.49Å; S13-L49 WeakPolarHBondContact OG-CD1 3.49Å
14	L	92.8	Very high	88.3	Confident	126 Å²	126	51.7 Å²	51.7	66%	0.66	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-47.4	-179.8	179.1	62.2	0	0	0	111.9	S10 L11 L12 A17 Y18	S10-L14 WeakPolarHBondContact O-CB 3.32Å; S10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 2.95Å; L12-L14 PolarHBondContact O-N 3.22Å; L14-A17 PolarHBondContact O-N 2.95Å; L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.4Å
15	V	92.2	Very high	89.2	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-39.6	-176.4	179.9	0	0	0	0	111.2	L11 L12 Y18 Q19 L26 L29	L11-V15 HydrophobicContact CD2-CG2 3.88Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 2.71Å; L12-V15 PolarHBondContact O-N 3.18Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 3.47Å; V15-Q19 WeakPolarHBondContact O-CB 3.29Å; V15-Q19 PolarHBondContact O-N 3Å; V15-L26 HydrophobicContact CG1-CD2 3.64Å; V15-L29 HydrophobicContact CB-CD2 4.15Å; V15-L29 HydrophobicContact CG1-CB 3.93Å; V15-L29 HydrophobicContact CG1-CD1 4Å; V15-L29 HydrophobicContact CG1-CD2 3.91Å; V15-L29 HydrophobicContact CG1-CG 4.14Å
16	I	91	Very high	90	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.062	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-40.9	177.4	-71.9	164.8	0	0	0	111.3	L12 Y18 Q19 K20 L46 L49 I63	L12-I16 VanDerWaalsContact O-CB 3.3Å; L12-I16 WeakPolarHBondContact O-CB 3.33Å; L12-I16 WeakPolarHBondContact O-CD1 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 3.11Å; I16-Y18 VanDerWaalsContact C-N 3.27Å; I16-Y18 PolarHBondContact O-N 3.28Å; I16-Q19 PolarHBondContact O-N 3.33Å; I16-K20 PolarHBondContact O-N 3.11Å; I16-L46 HydrophobicContact CD1-CD1 3.32Å; I16-L49 HydrophobicContact CD1-CD2 3.59Å; I16-I63 HydrophobicContact CD1-CD1 4.32Å; I16-I63 HydrophobicContact CG1-CD1 4.32Å; I16-I63 HydrophobicContact CG2-CD1 3.43Å; I16-I63 VanDerWaalsContact CG2-CD1 3.43Å
17	A	92.1	Very high	90.4	Very high	59 Å²	59	55 Å²	55	49%	0.488	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-41.6	172.9	0	0	0	0	0	111.2	S13 L14 K20 A21	S13-A17 VanDerWaalsContact O-CB 3.24Å; S13-A17 WeakPolarHBondContact O-CB 3.4Å; S13-A17 PolarHBondContact O-N 3.49Å; L14-A17 PolarHBondContact O-N 2.95Å; A17-K20 PolarHBondContact O-N 2.85Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.29Å
18	Y	92.8	Very high	90.6	Very high	100 Å²	100	54.5 Å²	54.5	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-42.1	176.5	-158.9	-90.9	0	0	0	112.5	L14 V15 I16 K20 A21 Y22 Q25 L26	L14-Y18 WeakPolarHBondContact O-CB 3.36Å; L14-Y18 PolarHBondContact O-N 3.4Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 3.47Å; I16-Y18 VanDerWaalsContact C-N 3.27Å; I16-Y18 PolarHBondContact O-N 3.28Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.95Å; Y18-A21 PolarHBondContact O-N 3.33Å; Y18-Y22 HydrophobicContact CD1-CD2 4.28Å; Y18-Y22 AromaticContact CD2-CD2 3.92Å; Y18-Y22 HydrophobicContact CD2-CD2 3.92Å; Y18-Y22 HydrophobicContact CD2-CE2 4.27Å; Y18-Y22 HydrophobicContact CE1-CD2 4.11Å; Y18-Y22 AromaticContact CE2-CD2 3.72Å; Y18-Y22 HydrophobicContact CE2-CD2 3.72Å; Y18-Y22 AromaticContact CE2-CE2 3.98Å; Y18-Y22 HydrophobicContact CE2-CE2 3.98Å; Y18-Y22 HydrophobicContact CG-CD2 4.2Å; Y18-Y22 AromaticContact CZ-CD2 3.83Å; Y18-Y22 PolarHBondContact O-N 3.47Å; Y18-Q25 PolarHBondContact OH-OE1 3.29Å; Y18-L26 HydrophobicContact CD1-CB 4.07Å; Y18-L26 HydrophobicContact CD1-CD2 4.05Å; Y18-L26 HydrophobicContact CE1-CB 4.49Å
19	Q	91.1	Very high	90.9	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.065	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-40.1	176.5	-173.7	175.8	19.8	0	0	111.9	V15 I16 P23 L26 E27 N162	V15-Q19 WeakPolarHBondContact O-CB 3.29Å; V15-Q19 PolarHBondContact O-N 3Å; I16-Q19 PolarHBondContact O-N 3.33Å; Q19-P23 WeakPolarHBondContact O-CA 3.36Å; Q19-L26 HydrophobicContact CB-CD2 4.02Å; Q19-L26 HydrophobicContact CB-CG 4.36Å; Q19-E27 PolarHBondContact NE2-O 2.74Å; Q19-N162 PolarHBondContact NE2-ND2 2.91Å
20	K	88.6	Confident	91.1	Very high	81 Å²	81	51.6 Å²	51.6	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-70.8	-39.6	175.9	-79.7	-178.8	170.8	-89.8	0	112.6	I16 A17 Y18 Y53 A61	I16-K20 PolarHBondContact O-N 3.11Å; A17-K20 PolarHBondContact O-N 2.85Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.95Å; K20-Y53 HydrophobicContact CD-CE2 4.01Å; K20-Y53 VanDerWaalsContact NZ-CZ 3.29Å; K20-Y53 PolarHBondContact NZ-OH 2.72Å; K20-A61 WeakPolarHBondContact CE-O 3.23Å; K20-A61 PolarHBondContact NZ-O 2.85Å
21	A	91.7	Very high	91.3	Very high	63 Å²	63	49.2 Å²	49.2	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-75.2	-35.8	-179.2	0	0	0	0	0	113.2	A17 Y18	A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 3.29Å; Y18-A21 PolarHBondContact O-N 3.33Å
22	Y	91.9	Very high	91.4	Very high	116 Å²	116	48.1 Å²	48.1	46%	0.455	27%	0.265	S	S	.	.			trans	-131.6	64	-174.4	-54.9	-73.2	0	0	0	112.1	Y18 S24 Q25 L26	Y18-Y22 HydrophobicContact CD1-CD2 4.28Å; Y18-Y22 AromaticContact CD2-CD2 3.92Å; Y18-Y22 HydrophobicContact CD2-CD2 3.92Å; Y18-Y22 HydrophobicContact CD2-CE2 4.27Å; Y18-Y22 HydrophobicContact CE1-CD2 4.11Å; Y18-Y22 AromaticContact CE2-CD2 3.72Å; Y18-Y22 HydrophobicContact CE2-CD2 3.72Å; Y18-Y22 AromaticContact CE2-CE2 3.98Å; Y18-Y22 HydrophobicContact CE2-CE2 3.98Å; Y18-Y22 HydrophobicContact CG-CD2 4.2Å; Y18-Y22 AromaticContact CZ-CD2 3.83Å; Y18-Y22 PolarHBondContact O-N 3.47Å; Y22-S24 PolarHBondContact O-N 2.85Å; Y22-S24 VanDerWaalsContact O-N 3.1Å; Y22-Q25 PolarHBondContact O-N 3.46Å; Y22-L26 PolarHBondContact O-N 3.03Å
23	P	86.2	Confident	91.3	Very high	88 Å²	88	48.1 Å²	48.1	57%	0.571	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-177.5	25.9	-35.4	0	0	0	113.6	Q19	Q19-P23 WeakPolarHBondContact O-CA 3.36Å
24	S	86.2	Confident	90.9	Very high	98 Å²	98	48.2 Å²	48.2	69%	0.685	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.4	175.4	56.6	0	0	0	0	114	Y22	Y22-S24 PolarHBondContact O-N 2.85Å; Y22-S24 VanDerWaalsContact O-N 3.1Å
25	Q	87.9	Confident	90.5	Very high	81 Å²	81	43.7 Å²	43.7	38%	0.379	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-34.4	-177.4	-61.7	-175.2	14.3	0	0	112.2	Y18 Y22 Q408	Y18-Q25 PolarHBondContact OH-OE1 3.29Å; Y22-Q25 PolarHBondContact O-N 3.46Å; Q25-Q408 PolarHBondContact O-OE1 3.4Å
26	L	89.2	Confident	90.3	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	25%	0.25	C	C	.	.			trans	-126.2	108.3	-178.6	180	61.3	0	0	0	110.3	V15 Y18 Q19 Y22 K28 V189	V15-L26 HydrophobicContact CG1-CD2 3.64Å; Y18-L26 HydrophobicContact CD1-CB 4.07Å; Y18-L26 HydrophobicContact CD1-CD2 4.05Å; Y18-L26 HydrophobicContact CE1-CB 4.49Å; Q19-L26 HydrophobicContact CB-CD2 4.02Å; Q19-L26 HydrophobicContact CB-CG 4.36Å; Y22-L26 PolarHBondContact O-N 3.03Å; L26-K28 WeakPolarHBondContact CD1-O 3.47Å; L26-V189 HydrophobicContact CD1-CB 3.83Å; L26-V189 HydrophobicContact CD1-CG2 3.34Å; L26-V189 HydrophobicContact CD2-CG2 4.37Å; L26-V189 HydrophobicContact CG-CG2 4.47Å
27	E	88.5	Confident	90.1	Very high	92 Å²	92	49.5 Å²	49.5	43%	0.43	27%	0.269	S	S	.	.			trans	-88.5	-38.1	179	-70.2	172.9	-161.4	0	0	111.7	Q19 S185 H187	Q19-E27 PolarHBondContact NE2-O 2.74Å; E27-S185 WeakPolarHBondContact OE2-CB 3.32Å; E27-S185 PolarHBondContact OE2-OG 3.35Å; E27-H187 HydrophobicContact CB-CB 4.44Å; E27-H187 HydrophobicContact CG-CB 4.1Å; E27-H187 PolarHBondContact N-O 3.46Å; E27-H187 IonicContact OE1-CG 2.83Å; E27-H187 IonicContact OE1-ND1 3.77Å; E27-H187 PolarHBondContact OE1-ND1 3.38Å
28	K	91.6	Very high	89.8	Confident	14 Å²	14	48 Å²	48	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.8	-167.6	-169.3	173.1	-58.7	-167.5	0	113.2	L26 V30 I158 M159 A161 N162 V164 L184 S188 V189	L26-K28 WeakPolarHBondContact CD1-O 3.47Å; K28-V30 HydrophobicContact CG-CG2 4.45Å; K28-I158 PolarHBondContact NZ-O 3.18Å; K28-M159 PolarHBondContact NZ-O 3.46Å; K28-A161 WeakPolarHBondContact CE-O 3.46Å; K28-N162 WeakPolarHBondContact CA-O 3.48Å; K28-V164 HydrophobicContact CD-CG2 4.21Å; K28-L184 HydrophobicContact CD-CD2 3.72Å; K28-S188 CarbonylContact O-C 3.55Å; K28-S188 VanDerWaalsContact O-CA 3.23Å; K28-S188 WeakPolarHBondContact O-CA 3.27Å; K28-V189 PolarHBondContact O-N 2.75Å
29	L	94.4	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.9	168.1	167.1	60.2	0	0	0	109.6	L12 V15 N162 V163 V164 V191	L12-L29 HydrophobicContact CD2-CD2 3.93Å; V15-L29 HydrophobicContact CB-CD2 4.15Å; V15-L29 HydrophobicContact CG1-CB 3.93Å; V15-L29 HydrophobicContact CG1-CD1 4Å; V15-L29 HydrophobicContact CG1-CD2 3.91Å; V15-L29 HydrophobicContact CG1-CG 4.14Å; L29-N162 PolarHBondContact N-O 2.98Å; L29-V163 HydrophobicContact CB-CG1 4.49Å; L29-V163 HydrophobicContact CB-CG2 4.33Å; L29-V163 HydrophobicContact CD2-CG1 3.99Å; L29-V163 HydrophobicContact CD2-CG2 4.32Å; L29-V163 HydrophobicContact CG-CG1 4.19Å; L29-V163 CarbonylContact O-C 3.34Å; L29-V163 WeakPolarHBondContact O-CA 3.43Å; L29-V164 PolarHBondContact O-N 3.34Å; L29-V191 HydrophobicContact CD1-CB 4.44Å; L29-V191 HydrophobicContact CD1-CG2 3.52Å
30	V	94.4	Very high	89.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.6	172.3	179.8	0	0	0	0	108.4	K28 V164 Y166 L184 V189 I190 V191	K28-V30 HydrophobicContact CG-CG2 4.45Å; V30-V164 CarbonylContact C-O 3.55Å; V30-V164 WeakPolarHBondContact CA-O 3.43Å; V30-Y166 HydrophobicContact CG1-CE1 3.89Å; V30-Y166 HydrophobicContact CG1-CE2 3.95Å; V30-Y166 WeakPolarHBondContact CG1-OH 3.46Å; V30-L184 HydrophobicContact CG2-CD1 4.09Å; V30-V189 PolarHBondContact N-O 3.14Å; V30-I190 HydrophobicContact CB-CD1 3.5Å; V30-I190 HydrophobicContact CG1-CD1 3.92Å; V30-I190 HydrophobicContact CG2-CD1 3.76Å; V30-I190 WeakPolarHBondContact O-CA 3.28Å; V30-V191 PolarHBondContact O-N 3.5Å
31	Y	95.5	Very high	89.9	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.7	179.8	-157.1	-77.2	0	0	0	110.3	T8 L11 L12 V42 V164 I165 Y166 V191 D193	T8-Y31 PolarHBondContact OG1-OH 2.88Å; L11-Y31 HydrophobicContact CD2-CD2 4.45Å; L11-Y31 HydrophobicContact CD2-CE2 4.11Å; L12-Y31 HydrophobicContact CD2-CD2 4Å; L12-Y31 HydrophobicContact CD2-CE2 4.24Å; Y31-V42 HydrophobicContact CD1-CB 4.49Å; Y31-V42 HydrophobicContact CD1-CG1 3.83Å; Y31-V42 HydrophobicContact CD1-CG2 4.02Å; Y31-V42 HydrophobicContact CD2-CG1 4.29Å; Y31-V42 HydrophobicContact CE1-CB 4.38Å; Y31-V42 HydrophobicContact CE1-CG1 3.93Å; Y31-V42 HydrophobicContact CE1-CG2 3.52Å; Y31-V42 HydrophobicContact CE2-CG1 4.37Å; Y31-V42 HydrophobicContact CG-CG1 4.01Å; Y31-V164 PolarHBondContact N-O 3.04Å; Y31-I165 HydrophobicContact CD1-CG2 4.38Å; Y31-I165 WeakPolarHBondContact O-CA 3.43Å; Y31-Y166 PolarHBondContact O-N 3.28Å; Y31-V191 HydrophobicContact CD2-CB 4.03Å; Y31-V191 HydrophobicContact CD2-CG1 3.99Å; Y31-V191 HydrophobicContact CE2-CB 4.36Å; Y31-V191 HydrophobicContact CE2-CG1 3.79Å; Y31-D193 HydrophobicContact CE1-CB 3.54Å; Y31-D193 VanDerWaalsContact OH-CB 3.28Å; Y31-D193 WeakPolarHBondContact OH-CB 3.25Å; Y31-D193 PolarHBondContact OH-OD2 3.14Å; Y31-D193 VanDerWaalsContact OH-OD2 3.07Å
32	C	94.5	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.4	179.4	-64.4	0	0	0	0	108.7	Y166 Y168 V191 F192 D193	C32-Y166 WeakPolarHBondContact CA-O 3.34Å; C32-Y166 VanDerWaalsContact SG-CE2 3.57Å; C32-Y168 HydrophobicContact CB-CD1 3.8Å; C32-Y168 HydrophobicContact CB-CE1 4.11Å; C32-Y168 WeakPolarHBondContact O-CE1 3.32Å; C32-V191 WeakPolarHBondContact CA-O 3.29Å; C32-V191 VanDerWaalsContact CB-O 3.28Å; C32-V191 WeakPolarHBondContact CB-O 3.5Å; C32-V191 PolarHBondContact N-O 3.13Å; C32-F192 HydrophobicContact CB-CD1 3.57Å; C32-F192 HydrophobicContact CB-CE1 3.89Å; C32-F192 HydrophobicContact CB-CG 4.34Å; C32-D193 PolarHBondContact O-N 3.29Å
33	S	91.5	Very high	90	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	165.9	173.1	-170.4	0	0	0	0	110.8	E38 Y166 S167 Y168	S33-E38 WeakPolarHBondContact OG-CB 3.29Å; S33-E38 PolarHBondContact OG-OE2 3.19Å; S33-Y166 PolarHBondContact N-O 3.44Å; S33-S167 VanDerWaalsContact O-CA 3.23Å; S33-S167 WeakPolarHBondContact O-CA 3.28Å; S33-Y168 WeakPolarHBondContact O-CD1 3.37Å; S33-Y168 PolarHBondContact O-N 2.88Å
34	R	85.3	Confident	90.3	Very high	50 Å²	50	36.3 Å²	36.3	19%	0.189	19%	0.191	C	C	.	.	S	Bend	trans	-82.7	-46.9	-172.7	-168.7	176.1	-174.8	-161.6	-5.9	111.6	E38 S167 Y168 N197 E562	R34-E38 WeakPolarHBondContact CB-OE2 2.98Å; R34-E38 PolarHBondContact N-OE2 3.44Å; R34-S167 PolarHBondContact O-OG 3.46Å; R34-Y168 HydrophobicContact CB-CE2 4.39Å; R34-N197 PolarHBondContact NH1-ND2 3.08Å; R34-E562 IonicContact CZ-OE1 3.97Å; R34-E562 VanDerWaalsContact CZ-OE1 3.23Å; R34-E562 IonicContact CZ-OE2 3.87Å; R34-E562 VanDerWaalsContact NH1-CD 3.29Å; R34-E562 IonicContact NH1-OE1 3.99Å; R34-E562 PolarHBondContact NH1-OE1 2.89Å; R34-E562 IonicContact NH1-OE2 2.62Å; R34-E562 IonicContact NH2-OE1 2.97Å; R34-E562 PolarHBondContact NH2-OE1 3.34Å; R34-E562 IonicContact NH2-OE2 2.82Å; R34-E562 PolarHBondContact NH2-OE2 3.11Å; R34-E562 VanDerWaalsContact NH2-OE2 3.11Å
35	T	84.9	Confident	90.6	Very high	31 Å²	31	35 Å²	35	19%	0.19	17%	0.174	C	C	.	.	S	Bend	trans	-118.2	159.9	-169.8	69.3	0	0	0	0	113.3	E38 I39	T35-E38 PolarHBondContact N-OE2 3.25Å; T35-E38 PolarHBondContact O-N 2.98Å; T35-E38 VanDerWaalsContact OG1-CG 3.23Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-OE2 3.13Å; T35-I39 WeakPolarHBondContact O-CG1 3.17Å; T35-I39 PolarHBondContact O-N 2.87Å; T35-I39 VanDerWaalsContact O-N 3.08Å
36	I	87.1	Confident	90.9	Very high	72 Å²	72	31.2 Å²	31.2	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-63.1	-43.2	179.2	-60.4	154	0	0	0	112.5	E38 I39 S40 N73 L136	I36-E38 VanDerWaalsContact C-N 3.3Å; I36-E38 PolarHBondContact O-N 3.23Å; I36-I39 WeakPolarHBondContact O-CB 3.26Å; I36-I39 PolarHBondContact O-N 3.37Å; I36-S40 PolarHBondContact O-N 3.47Å; I36-N73 WeakPolarHBondContact CD1-ND2 3.28Å; I36-L136 HydrophobicContact CG2-CD1 3.78Å
37	P	85.8	Confident	91.1	Very high	73 Å²	73	32.3 Å²	32.3	47%	0.474	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-38.6	175.9	-25.7	36.5	0	0	0	113.1	S40 K41	P37-S40 PolarHBondContact O-N 3.32Å; P37-K41 WeakPolarHBondContact O-CG 3.49Å; P37-K41 PolarHBondContact O-N 3.41Å
38	E	87.2	Confident	91.3	Very high	28 Å²	28	33.5 Å²	33.5	13%	0.131	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-43.7	175.6	-66.5	161.3	162.7	0	0	111.2	S33 R34 T35 I36 S40 K41 V42	S33-E38 WeakPolarHBondContact OG-CB 3.29Å; S33-E38 PolarHBondContact OG-OE2 3.19Å; R34-E38 WeakPolarHBondContact CB-OE2 2.98Å; R34-E38 PolarHBondContact N-OE2 3.44Å; T35-E38 PolarHBondContact N-OE2 3.25Å; T35-E38 PolarHBondContact O-N 2.98Å; T35-E38 VanDerWaalsContact OG1-CG 3.23Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-OE2 3.13Å; I36-E38 VanDerWaalsContact C-N 3.3Å; I36-E38 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 2.68Å; E38-K41 WeakPolarHBondContact O-CB 3.47Å; E38-K41 PolarHBondContact O-N 2.82Å; E38-K41 VanDerWaalsContact O-N 3.09Å; E38-V42 VanDerWaalsContact O-CG2 3.28Å; E38-V42 WeakPolarHBondContact O-CG2 3.27Å; E38-V42 PolarHBondContact O-N 3.01Å
39	I	91.6	Very high	91.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-53.8	-49	172.6	-68.6	167.2	0	0	0	110.4	T35 I36 K41 V42 V43 A67 I165	T35-I39 WeakPolarHBondContact O-CG1 3.17Å; T35-I39 PolarHBondContact O-N 2.87Å; T35-I39 VanDerWaalsContact O-N 3.08Å; I36-I39 WeakPolarHBondContact O-CB 3.26Å; I36-I39 PolarHBondContact O-N 3.37Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.1Å; I39-V42 PolarHBondContact O-N 3.36Å; I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.27Å; I39-V43 VanDerWaalsContact O-N 3.1Å; I39-A67 HydrophobicContact CG2-CB 4.13Å; I39-I165 HydrophobicContact CB-CG2 4.28Å; I39-I165 HydrophobicContact CG1-CG2 4.3Å; I39-I165 HydrophobicContact CG2-CB 4.46Å; I39-I165 HydrophobicContact CG2-CG2 3.82Å
40	S	91.8	Very high	91.2	Very high	32 Å²	32	35.3 Å²	35.3	22%	0.224	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-37.1	178.4	-70.9	0	0	0	0	112.7	I36 P37 E38 V43 E44 N135	I36-S40 PolarHBondContact O-N 3.47Å; P37-S40 PolarHBondContact O-N 3.32Å; E38-S40 VanDerWaalsContact C-N 3.3Å; E38-S40 PolarHBondContact O-N 2.68Å; S40-V43 PolarHBondContact O-N 3.2Å; S40-E44 WeakPolarHBondContact O-CG 3.42Å; S40-E44 PolarHBondContact O-N 3.45Å; S40-E44 VanDerWaalsContact O-N 3.1Å; S40-N135 PolarHBondContact OG-OD1 3.44Å
41	K	89.7	Confident	91.1	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-64.5	-45.7	175.7	-73.6	176.8	179.7	-161.7	0	112.4	P37 E38 I39 V43 E44 E45 D565	P37-K41 WeakPolarHBondContact O-CG 3.49Å; P37-K41 PolarHBondContact O-N 3.41Å; E38-K41 WeakPolarHBondContact O-CB 3.47Å; E38-K41 PolarHBondContact O-N 2.82Å; E38-K41 VanDerWaalsContact O-N 3.09Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.1Å; K41-V43 PolarHBondContact O-N 3.07Å; K41-E44 PolarHBondContact O-N 2.98Å; K41-E44 VanDerWaalsContact O-N 3.17Å; K41-E45 PolarHBondContact O-N 3.22Å; K41-D565 IonicContact NZ-OD2 2.54Å; K41-D565 PolarHBondContact NZ-OD2 3.29Å
42	V	93.1	Very high	91	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-39.5	177.8	179.3	0	0	0	0	110.4	T8 L12 Y31 E38 I39 E45 L46 I165	T8-V42 HydrophobicContact CG2-CB 4.27Å; T8-V42 HydrophobicContact CG2-CG1 4.1Å; T8-V42 HydrophobicContact CG2-CG2 3.81Å; L12-V42 HydrophobicContact CD1-CG1 4.13Å; L12-V42 HydrophobicContact CD2-CG1 4.36Å; Y31-V42 HydrophobicContact CD1-CB 4.49Å; Y31-V42 HydrophobicContact CD1-CG1 3.83Å; Y31-V42 HydrophobicContact CD1-CG2 4.02Å; Y31-V42 HydrophobicContact CD2-CG1 4.29Å; Y31-V42 HydrophobicContact CE1-CB 4.38Å; Y31-V42 HydrophobicContact CE1-CG1 3.93Å; Y31-V42 HydrophobicContact CE1-CG2 3.52Å; Y31-V42 HydrophobicContact CE2-CG1 4.37Å; Y31-V42 HydrophobicContact CG-CG1 4.01Å; E38-V42 VanDerWaalsContact O-CG2 3.28Å; E38-V42 WeakPolarHBondContact O-CG2 3.27Å; E38-V42 PolarHBondContact O-N 3.01Å; I39-V42 PolarHBondContact O-N 3.36Å; V42-E45 PolarHBondContact O-N 3.47Å; V42-L46 WeakPolarHBondContact O-CB 3.38Å; V42-L46 PolarHBondContact O-N 3.12Å; V42-I165 HydrophobicContact CB-CD1 4.32Å; V42-I165 HydrophobicContact CB-CG2 4.22Å; V42-I165 HydrophobicContact CG1-CD1 3.72Å; V42-I165 HydrophobicContact CG1-CG1 4.28Å; V42-I165 HydrophobicContact CG1-CG2 4.16Å
43	V	94	Very high	90.8	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-42.8	177.1	179.2	0	0	0	0	111.7	I39 S40 K41 L46 K47 A67 V133 N135 I165	I39-V43 WeakPolarHBondContact O-CG2 3.49Å; I39-V43 PolarHBondContact O-N 3.27Å; I39-V43 VanDerWaalsContact O-N 3.1Å; S40-V43 PolarHBondContact O-N 3.2Å; K41-V43 PolarHBondContact O-N 3.07Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 2.91Å; V43-K47 WeakPolarHBondContact O-CG 3.4Å; V43-K47 PolarHBondContact O-N 2.97Å; V43-A67 HydrophobicContact CG2-CB 3.69Å; V43-V133 HydrophobicContact CG1-CG1 3.67Å; V43-N135 HydrophobicContact CG1-CB 3.73Å; V43-I165 HydrophobicContact CB-CD1 4.34Å; V43-I165 HydrophobicContact CG2-CB 4.48Å; V43-I165 HydrophobicContact CG2-CD1 3.54Å
44	E	93	Very high	90.8	Very high	84 Å²	84	55.5 Å²	55.5	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-68.9	-36.4	177.4	-65.5	-53	131.3	0	0	112.2	S40 K41 L46 K47 L48 N135	S40-E44 WeakPolarHBondContact O-CG 3.42Å; S40-E44 PolarHBondContact O-N 3.45Å; S40-E44 VanDerWaalsContact O-N 3.1Å; K41-E44 PolarHBondContact O-N 2.98Å; K41-E44 VanDerWaalsContact O-N 3.17Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-K47 WeakPolarHBondContact O-CB 3.25Å; E44-K47 PolarHBondContact O-N 2.9Å; E44-K47 IonicContact OE1-NZ 3.74Å; E44-K47 PolarHBondContact OE1-NZ 3.26Å; E44-K47 WeakPolarHBondContact OE2-CD 3.37Å; E44-K47 IonicContact OE2-NZ 3.83Å; E44-L48 PolarHBondContact O-N 3.33Å; E44-N135 PolarHBondContact OE1-ND2 2.7Å
45	E	92.5	Very high	91.1	Very high	72 Å²	72	60.3 Å²	60.3	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-39.3	171.1	-73.2	-171.4	-162.2	0	0	111.9	T8 A9 L12 K41 V42 L48 L49	T8-E45 WeakPolarHBondContact CB-OE2 3.34Å; T8-E45 WeakPolarHBondContact CG2-OE2 3.26Å; A9-E45 PolarHBondContact N-OE2 2.73Å; L12-E45 HydrophobicContact CD1-CB 4.24Å; K41-E45 PolarHBondContact O-N 3.22Å; V42-E45 PolarHBondContact O-N 3.47Å; E45-L48 PolarHBondContact O-N 3.31Å; E45-L49 PolarHBondContact O-N 3.34Å
46	L	94	Very high	91.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-40.8	174.4	-178.4	61.8	0	0	0	111.8	L12 I16 V42 V43 E44 L48 L49 C50 V133 V163 I165	L12-L46 HydrophobicContact CD1-CB 4.23Å; I16-L46 HydrophobicContact CD1-CD1 3.32Å; V42-L46 WeakPolarHBondContact O-CB 3.38Å; V42-L46 PolarHBondContact O-N 3.12Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 2.91Å; E44-L46 VanDerWaalsContact C-N 3.33Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-C50 PolarHBondContact O-N 2.87Å; L46-C50 PolarHBondContact O-SG 3.04Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; L46-V133 HydrophobicContact CB-CG1 4.24Å; L46-V133 HydrophobicContact CD2-CG1 3.86Å; L46-V133 HydrophobicContact CD2-CG2 4.04Å; L46-V133 HydrophobicContact CG-CG1 4.03Å; L46-V133 HydrophobicContact CG-CG2 3.89Å; L46-V163 HydrophobicContact CD2-CB 4.04Å; L46-V163 HydrophobicContact CD2-CG1 3.85Å; L46-V163 HydrophobicContact CD2-CG2 4.38Å; L46-I165 HydrophobicContact CD2-CD1 4.23Å
47	K	93.6	Very high	91.5	Very high	30 Å²	30	64.8 Å²	64.8	13%	0.13	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-44.2	172.9	-76.8	174.1	-178.8	174.1	0	111.6	V43 E44 L49 C50 R51 V133 D138	V43-K47 WeakPolarHBondContact O-CG 3.4Å; V43-K47 PolarHBondContact O-N 2.97Å; E44-K47 WeakPolarHBondContact O-CB 3.25Å; E44-K47 PolarHBondContact O-N 2.9Å; E44-K47 IonicContact OE1-NZ 3.74Å; E44-K47 PolarHBondContact OE1-NZ 3.26Å; E44-K47 WeakPolarHBondContact OE2-CD 3.37Å; E44-K47 IonicContact OE2-NZ 3.83Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-C50 PolarHBondContact O-N 3.32Å; K47-R51 WeakPolarHBondContact O-CG 3.28Å; K47-R51 PolarHBondContact O-N 3.24Å; K47-V133 WeakPolarHBondContact CE-O 3.37Å; K47-V133 HydrophobicContact CG-CB 3.68Å; K47-V133 HydrophobicContact CG-CG1 3.64Å; K47-D138 WeakPolarHBondContact CE-OD2 3.32Å; K47-D138 IonicContact NZ-OD1 2.77Å; K47-D138 IonicContact NZ-OD2 2.83Å; K47-D138 PolarHBondContact NZ-OD2 2.66Å
48	L	92.7	Very high	91.5	Very high	117 Å²	117	64.6 Å²	64.6	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-61.6	-43.6	177.9	-175.6	66.8	0	0	0	111.2	E44 E45 L46 R51 Y52	E44-L48 PolarHBondContact O-N 3.33Å; E45-L48 PolarHBondContact O-N 3.31Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 3.34Å; L48-R51 PolarHBondContact O-N 2.83Å; L48-Y52 WeakPolarHBondContact O-CB 3.07Å; L48-Y52 PolarHBondContact O-N 2.98Å
49	L	92.6	Very high	91.4	Very high	37 Å²	37	69.6 Å²	69.6	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-43.2	176.4	-180	64.5	0	0	0	112.3	L12 S13 I16 E45 L46 K47 Y52 Y53	L12-L49 HydrophobicContact CB-CD2 4.1Å; S13-L49 WeakPolarHBondContact OG-CD1 3.49Å; I16-L49 HydrophobicContact CD1-CD2 3.59Å; E45-L49 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.03Å; K47-L49 VanDerWaalsContact C-N 3.33Å; L49-Y52 PolarHBondContact O-N 3.45Å; L49-Y53 WeakPolarHBondContact O-CB 3.35Å; L49-Y53 PolarHBondContact O-N 2.99Å
50	C	91.2	Very high	91	Very high	14 Å²	14	73.2 Å²	73.2	10%	0.095	37%	0.368	C	S	.	.	H	α-helix	trans	-63.5	-41	176.4	-71.1	0	0	0	0	112.2	L46 K47 Y53 E54 A61	L46-C50 PolarHBondContact O-N 2.87Å; L46-C50 PolarHBondContact O-SG 3.04Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; K47-C50 PolarHBondContact O-N 3.32Å; C50-Y53 PolarHBondContact O-N 3.45Å; C50-E54 WeakPolarHBondContact O-CG 3.33Å; C50-E54 PolarHBondContact O-N 3.39Å; C50-A61 HydrophobicContact CB-CB 4.41Å
51	R	92.3	Very high	90.4	Very high	147 Å²	147	72.1 Å²	72.1	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-63.3	-46.2	174.9	-72.6	178.3	-172	164.1	3.9	111.9	K47 L48 Y53 E54 E55	K47-R51 WeakPolarHBondContact O-CG 3.28Å; K47-R51 PolarHBondContact O-N 3.24Å; L48-R51 PolarHBondContact O-N 2.83Å; R51-Y53 VanDerWaalsContact C-N 3.28Å; R51-Y53 PolarHBondContact O-N 3.26Å; R51-E54 PolarHBondContact O-N 3.19Å; R51-E54 VanDerWaalsContact O-N 3.16Å; R51-E55 WeakPolarHBondContact O-CG 3.44Å; R51-E55 PolarHBondContact O-N 3.06Å
52	Y	91.9	Very high	90.2	Very high	131 Å²	131	69.8 Å²	69.8	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-42.1	176	176.5	-97.6	0	0	0	111.6	L48 L49 E55 E56	L48-Y52 WeakPolarHBondContact O-CB 3.07Å; L48-Y52 PolarHBondContact O-N 2.98Å; L49-Y52 PolarHBondContact O-N 3.45Å; Y52-E55 PolarHBondContact O-N 2.94Å; Y52-E56 HydrophobicContact CD1-CG 4.41Å; Y52-E56 HydrophobicContact CD2-CG 4.31Å; Y52-E56 HydrophobicContact CE1-CG 3.95Å; Y52-E56 HydrophobicContact CE2-CG 3.87Å; Y52-E56 WeakPolarHBondContact O-CB 3.4Å; Y52-E56 WeakPolarHBondContact O-CG 3.44Å; Y52-E56 PolarHBondContact O-N 3.46Å
53	Y	90.8	Very high	90	Very high	68 Å²	68	70.1 Å²	70.1	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-63.1	-43	176	-175.5	-90.7	0	0	0	112.5	K20 L49 C50 R51 E56 T57 A61	K20-Y53 HydrophobicContact CD-CE2 4.01Å; K20-Y53 VanDerWaalsContact NZ-CZ 3.29Å; K20-Y53 PolarHBondContact NZ-OH 2.72Å; L49-Y53 WeakPolarHBondContact O-CB 3.35Å; L49-Y53 PolarHBondContact O-N 2.99Å; C50-Y53 PolarHBondContact O-N 3.45Å; R51-Y53 VanDerWaalsContact C-N 3.28Å; R51-Y53 PolarHBondContact O-N 3.26Å; Y53-E56 PolarHBondContact O-N 3.22Å; Y53-T57 HydrophobicContact CD2-CG2 4.28Å; Y53-T57 HydrophobicContact CE1-CG2 4.29Å; Y53-T57 WeakPolarHBondContact CE1-OG1 3.44Å; Y53-T57 HydrophobicContact CE2-CG2 3.94Å; Y53-T57 WeakPolarHBondContact O-CB 3.29Å; Y53-T57 PolarHBondContact O-N 3.01Å; Y53-T57 PolarHBondContact O-OG1 3.36Å; Y53-A61 HydrophobicContact CD1-CB 3.83Å; Y53-A61 HydrophobicContact CE1-CB 4.35Å; Y53-A61 HydrophobicContact CG-CB 4.48Å
54	E	91.2	Very high	90	Very high	80 Å²	80	70.5 Å²	70.5	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-39.8	176.9	-77.7	175.7	176.4	0	0	112.3	C50 R51 G58 E59 S60	C50-E54 WeakPolarHBondContact O-CG 3.33Å; C50-E54 PolarHBondContact O-N 3.39Å; R51-E54 PolarHBondContact O-N 3.19Å; R51-E54 VanDerWaalsContact O-N 3.16Å; E54-G58 VanDerWaalsContact O-CA 3.23Å; E54-G58 WeakPolarHBondContact O-CA 3.08Å; E54-G58 PolarHBondContact O-N 2.88Å; E54-E59 WeakPolarHBondContact CG-O 3.39Å; E54-S60 PolarHBondContact OE1-OG 3.34Å; E54-S60 VanDerWaalsContact OE1-OG 3.1Å
55	E	92.7	Very high	90	Very high	151 Å²	151	66.5 Å²	66.5	71%	0.706	35%	0.348	S	S	*	.	H	α-helix	trans	-65.9	-42.8	176.8	-73.5	172.6	-176.6	0	0	112.3	R51 Y52	R51-E55 WeakPolarHBondContact O-CG 3.44Å; R51-E55 PolarHBondContact O-N 3.06Å; Y52-E55 PolarHBondContact O-N 2.94Å
56	E	90.2	Very high	90.1	Very high	131 Å²	131	63.1 Å²	63.1	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-79.1	-33.3	-176.6	-70.6	-68	131.1	0	0	113.6	Y52 Y53	Y52-E56 HydrophobicContact CD1-CG 4.41Å; Y52-E56 HydrophobicContact CD2-CG 4.31Å; Y52-E56 HydrophobicContact CE1-CG 3.95Å; Y52-E56 HydrophobicContact CE2-CG 3.87Å; Y52-E56 WeakPolarHBondContact O-CB 3.4Å; Y52-E56 WeakPolarHBondContact O-CG 3.44Å; Y52-E56 PolarHBondContact O-N 3.46Å; Y53-E56 PolarHBondContact O-N 3.22Å
57	T	89	Confident	90.1	Very high	65 Å²	65	63.1 Å²	63.1	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-103.1	-20.7	-175.8	64.1	0	0	0	0	113.9	Y53 E59	Y53-T57 HydrophobicContact CD2-CG2 4.28Å; Y53-T57 HydrophobicContact CE1-CG2 4.29Å; Y53-T57 WeakPolarHBondContact CE1-OG1 3.44Å; Y53-T57 HydrophobicContact CE2-CG2 3.94Å; Y53-T57 WeakPolarHBondContact O-CB 3.29Å; Y53-T57 PolarHBondContact O-N 3.01Å; Y53-T57 PolarHBondContact O-OG1 3.36Å; T57-E59 PolarHBondContact O-N 2.94Å; T57-E59 PolarHBondContact OG1-N 2.65Å; T57-E59 PolarHBondContact OG1-O 2.91Å
58	G	86.7	Confident	90.1	Very high	70 Å²	70	61.8 Å²	61.8	72%	0.722	33%	0.327	S	S	*	.	S	Bend	trans	71.2	1.1	-170.2	0	0	0	0	0	114.3	E54	E54-G58 VanDerWaalsContact O-CA 3.23Å; E54-G58 WeakPolarHBondContact O-CA 3.08Å; E54-G58 PolarHBondContact O-N 2.88Å
59	E	84.8	Confident	90	Very high	132 Å²	132	56.5 Å²	56.5	62%	0.617	30%	0.3	S	S	*	.	S	Bend	trans	-109.8	143.3	-179	-65.6	-175.7	174.1	0	0	110.9	E54 T57 A61	E54-E59 WeakPolarHBondContact CG-O 3.39Å; T57-E59 PolarHBondContact O-N 2.94Å; T57-E59 PolarHBondContact OG1-N 2.65Å; T57-E59 PolarHBondContact OG1-O 2.91Å; E59-A61 PolarHBondContact O-N 3.42Å
60	S	83	Confident	89.9	Confident	79 Å²	79	56.7 Å²	56.7	55%	0.552	31%	0.307	S	S	*	.			trans	-62.6	137.2	172.2	-172.7	0	0	0	0	110.1	E54 G62	E54-S60 PolarHBondContact OE1-OG 3.34Å; E54-S60 VanDerWaalsContact OE1-OG 3.1Å; S60-G62 PolarHBondContact O-N 2.99Å
61	A	79.4	Confident	89.9	Confident	9 Å²	9	57.1 Å²	57.1	7%	0.074	31%	0.306	C	S	.	.			trans	-56.3	-26	179.2	0	0	0	0	0	112.4	K20 C50 Y53 E59 I63	K20-A61 WeakPolarHBondContact CE-O 3.23Å; K20-A61 PolarHBondContact NZ-O 2.85Å; C50-A61 HydrophobicContact CB-CB 4.41Å; Y53-A61 HydrophobicContact CD1-CB 3.83Å; Y53-A61 HydrophobicContact CE1-CB 4.35Å; Y53-A61 HydrophobicContact CG-CB 4.48Å; E59-A61 PolarHBondContact O-N 3.42Å; A61-I63 HydrophobicContact CB-CB 4.46Å; A61-I63 HydrophobicContact CB-CD1 3.95Å; A61-I63 HydrophobicContact CB-CG1 4.06Å; A61-I63 PolarHBondContact O-N 2.9Å
62	G	85.1	Confident	89.8	Confident	43 Å²	43	55 Å²	55	44%	0.443	30%	0.301	S	S	.	.			trans	69.4	21	-179.7	0	0	0	0	0	113	S60	S60-G62 PolarHBondContact O-N 2.99Å
63	I	89.3	Confident	89.7	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.062	29%	0.286	C	S	.	.			trans	-101.9	129.8	-173.3	-62.5	172.5	0	0	0	109.3	I16 A61 G132 N162 V163	I16-I63 HydrophobicContact CD1-CD1 4.32Å; I16-I63 HydrophobicContact CG1-CD1 4.32Å; I16-I63 HydrophobicContact CG2-CD1 3.43Å; I16-I63 VanDerWaalsContact CG2-CD1 3.43Å; A61-I63 HydrophobicContact CB-CB 4.46Å; A61-I63 HydrophobicContact CB-CD1 3.95Å; A61-I63 HydrophobicContact CB-CG1 4.06Å; A61-I63 PolarHBondContact O-N 2.9Å; I63-G132 PolarHBondContact O-N 3.24Å; I63-N162 HydrophobicContact CG2-CB 4.01Å; I63-V163 HydrophobicContact CG2-CG2 3.99Å
64	L	93.5	Very high	89.8	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.2	166.5	-179.4	61	0	0	0	109.8	V66 L129 G132 Y134 A161 N162 V163	L64-V66 HydrophobicContact CD1-CG2 4.16Å; L64-V66 HydrophobicContact CG-CG2 4.1Å; L64-L129 HydrophobicContact CD1-CB 4.4Å; L64-L129 HydrophobicContact CD1-CD2 4.08Å; L64-L129 HydrophobicContact CD1-CG 4.29Å; L64-G132 WeakPolarHBondContact CA-O 3.3Å; L64-Y134 HydrophobicContact CD1-CD2 4.04Å; L64-Y134 HydrophobicContact CD1-CE2 3.72Å; L64-A161 HydrophobicContact CD2-CB 4.25Å; L64-A161 HydrophobicContact CG-CB 4.12Å; L64-N162 PolarHBondContact N-OD1 3.02Å; L64-N162 PolarHBondContact O-N 3.36Å; L64-V163 PolarHBondContact O-N 3.19Å; L64-V163 VanDerWaalsContact O-N 3.12Å
65	G	94	Very high	90	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.2	176.4	0	0	0	0	0	111.3	G132 V133 Y134 V163	G65-G132 PolarHBondContact N-O 2.86Å; G65-V133 WeakPolarHBondContact O-CA 3.48Å; G65-Y134 PolarHBondContact O-N 2.89Å; G65-V163 CarbonylContact C-O 3.58Å; G65-V163 WeakPolarHBondContact CA-O 3.38Å
66	V	94.3	Very high	90	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.4	-175.9	-178.6	0	0	0	0	111.3	L64 L129 L139 A154 A157 A161 V163 I165	L64-V66 HydrophobicContact CD1-CG2 4.16Å; L64-V66 HydrophobicContact CG-CG2 4.1Å; V66-L129 HydrophobicContact CG2-CD2 4.25Å; V66-L139 HydrophobicContact CG1-CD1 4.34Å; V66-A154 HydrophobicContact CG1-CB 4.12Å; V66-A157 HydrophobicContact CG2-CB 4Å; V66-A161 HydrophobicContact CB-CB 4.42Å; V66-A161 HydrophobicContact CG2-CB 4.01Å; V66-V163 PolarHBondContact N-O 3.02Å; V66-I165 PolarHBondContact O-N 2.97Å
67	A	95	Very high	90.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.9	168.4	0	0	0	0	0	111	I39 V43 Y134 L136 L139 I165	I39-A67 HydrophobicContact CG2-CB 4.13Å; V43-A67 HydrophobicContact CG2-CB 3.69Å; A67-Y134 PolarHBondContact N-O 3.07Å; A67-L136 HydrophobicContact CB-CD2 3.87Å; A67-L136 HydrophobicContact CB-CG 4.23Å; A67-L139 WeakPolarHBondContact O-CD1 3.28Å; A67-I165 WeakPolarHBondContact CA-O 3.48Å
68	L	92.1	Very high	90.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	22%	0.216	C	C	.	.			trans	-113.7	136	174.6	-177.5	76.7	0	0	0	111	A154 I158 I165 Y166 Y170 V180	L68-A154 HydrophobicContact CD1-CB 4.1Å; L68-I158 HydrophobicContact CB-CD1 4.49Å; L68-I158 HydrophobicContact CD1-CD1 4.16Å; L68-I158 HydrophobicContact CD2-CD1 3.61Å; L68-I158 HydrophobicContact CG-CD1 4.28Å; L68-I165 PolarHBondContact N-O 2.91Å; L68-Y166 HydrophobicContact CD2-CD1 4.33Å; L68-Y170 HydrophobicContact CD2-CD1 3.69Å; L68-Y170 HydrophobicContact CD2-CE1 3.62Å; L68-Y170 HydrophobicContact CD2-CG 4.39Å; L68-Y170 HydrophobicContact CG-CE1 4.23Å; L68-V180 HydrophobicContact CD2-CG1 3.73Å
69	S	92.1	Very high	90.4	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	21%	0.212	C	C	.	.			trans	-144.5	179.6	174.2	-161.3	0	0	0	0	111.3	N73 Y170	S69-N73 PolarHBondContact OG-ND2 3.07Å; S69-Y170 PolarHBondContact O-OH 2.95Å
70	A	89.3	Confident	90.7	Very high	41 Å²	41	31.1 Å²	31.1	34%	0.339	18%	0.184	S	C	.	.			trans	-63.7	158.4	-179.6	0	0	0	0	0	111.9	K72 N73 L74 Y170	A70-K72 PolarHBondContact O-N 2.87Å; A70-K72 VanDerWaalsContact O-N 3.13Å; A70-N73 PolarHBondContact O-N 3.12Å; A70-L74 PolarHBondContact O-N 3.03Å; A70-Y170 WeakPolarHBondContact CA-OH 3.44Å; A70-Y170 PolarHBondContact N-OH 2.9Å
71	R	90.6	Very high	91	Very high	22 Å²	22	30.3 Å²	30.3	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-53.1	-37.1	178.1	-66.4	-177.1	-178.9	165	-1.1	112.1	N73 L74 C75 V89 D90 Y151	R71-N73 PolarHBondContact O-N 2.69Å; R71-N73 VanDerWaalsContact O-N 3.11Å; R71-L74 PolarHBondContact O-N 3.28Å; R71-L74 VanDerWaalsContact O-N 3.1Å; R71-C75 WeakPolarHBondContact O-CB 3.36Å; R71-C75 PolarHBondContact O-N 3.33Å; R71-V89 HydrophobicContact CB-CG1 3.88Å; R71-D90 WeakPolarHBondContact CD-OD1 3.38Å; R71-D90 PolarHBondContact NH1-O 3.1Å; R71-Y151 HydrophobicContact CG-CD1 4.02Å; R71-Y151 HydrophobicContact CG-CD2 3.8Å; R71-Y151 HydrophobicContact CG-CE1 3.94Å; R71-Y151 HydrophobicContact CG-CE2 3.71Å; R71-Y151 HydrophobicContact CG-CG 3.96Å
72	K	90.5	Very high	91.5	Very high	104 Å²	104	37.8 Å²	37.8	45%	0.452	21%	0.209	S	C	.	.	H	α-helix	trans	-50.1	-36.5	173.5	178.7	177.9	170.9	177.3	0	113.5	A70 R84 V89	A70-K72 PolarHBondContact O-N 2.87Å; A70-K72 VanDerWaalsContact O-N 3.13Å; K72-R84 VanDerWaalsContact CE-O 3.24Å; K72-R84 WeakPolarHBondContact CE-O 3.24Å; K72-R84 PolarHBondContact NZ-O 2.95Å; K72-V89 HydrophobicContact CB-CG2 4.49Å
73	N	91	Very high	91.7	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-94	-10	-175.4	-63.2	-29.2	0	0	0	113.7	I36 S69 A70 R71 K140	I36-N73 WeakPolarHBondContact CD1-ND2 3.28Å; S69-N73 PolarHBondContact OG-ND2 3.07Å; A70-N73 PolarHBondContact O-N 3.12Å; R71-N73 PolarHBondContact O-N 2.69Å; R71-N73 VanDerWaalsContact O-N 3.11Å; N73-K140 WeakPolarHBondContact O-CE 3.48Å; N73-K140 PolarHBondContact O-NZ 2.94Å
74	L	93.1	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-121.9	-10.3	-177.2	-73.4	171.6	0	0	0	113.7	A70 R71 L136 L139 P150 Y151 A154	A70-L74 PolarHBondContact O-N 3.03Å; R71-L74 PolarHBondContact O-N 3.28Å; R71-L74 VanDerWaalsContact O-N 3.1Å; L74-L136 HydrophobicContact CD1-CD2 4.43Å; L74-L136 HydrophobicContact CD2-CB 4.31Å; L74-L136 HydrophobicContact CD2-CD2 3.96Å; L74-L136 HydrophobicContact CG-CD2 4.29Å; L74-L139 HydrophobicContact CD2-CB 4.14Å; L74-L139 HydrophobicContact CD2-CD1 4.2Å; L74-P150 HydrophobicContact CB-CB 4.44Å; L74-P150 HydrophobicContact CD2-CB 4.36Å; L74-P150 WeakPolarHBondContact O-CG 3.36Å; L74-Y151 HydrophobicContact CD1-CD2 4.25Å; L74-A154 HydrophobicContact CD1-CB 4.43Å
75	C	93.9	Very high	90.9	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.149	26%	0.263	C	S	.	.			trans	-68.3	135.5	179.4	-173.3	0	0	0	0	111.7	R71	R71-C75 WeakPolarHBondContact O-CB 3.36Å; R71-C75 PolarHBondContact O-N 3.33Å
76	I	93.3	Very high	90.4	Very high	19 Å²	19	55 Å²	55	10%	0.097	28%	0.277	C	S	.	.			trans	-117.3	-1.6	176.2	58.7	173.8	0	0	0	113.1	Y116 K140 K144 P150	I76-Y116 HydrophobicContact CD1-CD1 3.44Å; I76-Y116 VanDerWaalsContact CD1-CD1 3.44Å; I76-Y116 HydrophobicContact CD1-CE1 3.49Å; I76-Y116 VanDerWaalsContact CD1-CE1 3.49Å; I76-Y116 HydrophobicContact CD1-CG 3.99Å; I76-Y116 HydrophobicContact CG1-CD1 4.06Å; I76-Y116 HydrophobicContact CG1-CD2 4.28Å; I76-Y116 HydrophobicContact CG1-CE1 4.11Å; I76-Y116 HydrophobicContact CG1-CE2 4.34Å; I76-Y116 HydrophobicContact CG1-CG 4.14Å; I76-K140 HydrophobicContact CG2-CB 4.15Å; I76-K140 HydrophobicContact CG2-CG 3.98Å; I76-K144 HydrophobicContact CD1-CG 4.29Å; I76-K144 HydrophobicContact CG2-CG 4.43Å; I76-P150 HydrophobicContact CD1-CG 4Å; I76-P150 HydrophobicContact CG1-CG 4.24Å; I76-P150 HydrophobicContact CG2-CG 3.9Å
77	H	93.2	Very high	89.8	Confident	29 Å²	29	60.2 Å²	60.2	13%	0.134	30%	0.3	C	S	.	.			trans	-65.7	130	177.6	-170.9	-91.8	0	0	0	110.2	E79 V80 S81	H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 IonicContact CE1-OE2 2.74Å; H77-E79 PolarHBondContact ND1-N 3.36Å; H77-E79 PolarHBondContact O-N 3.1Å; H77-V80 HydrophobicContact CB-CB 4.15Å; H77-V80 HydrophobicContact CB-CG2 4.28Å; H77-V80 PolarHBondContact O-N 3.43Å; H77-S81 WeakPolarHBondContact O-CB 3.48Å; H77-S81 PolarHBondContact O-N 3.12Å; H77-S81 PolarHBondContact O-OG 2.77Å
78	P	90.5	Very high	89.4	Confident	75 Å²	75	63.2 Å²	63.2	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.7	-168.5	23.6	-34.5	0	0	0	114.3	K82	P78-K82 WeakPolarHBondContact O-CD 3.45Å; P78-K82 VanDerWaalsContact O-CE 3.26Å; P78-K82 WeakPolarHBondContact O-CE 3.42Å; P78-K82 WeakPolarHBondContact O-CG 3.15Å
79	E	90.7	Very high	89.2	Confident	138 Å²	138	63.2 Å²	63.2	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-44.7	178.3	-60.8	179.5	164.8	0	0	111.8	H77 K82	H77-E79 VanDerWaalsContact C-N 3.27Å; H77-E79 IonicContact CE1-OE2 2.74Å; H77-E79 PolarHBondContact ND1-N 3.36Å; H77-E79 PolarHBondContact O-N 3.1Å; E79-K82 PolarHBondContact O-N 2.94Å
80	V	90.6	Very high	88.9	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.03	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-74.3	-35.5	-174.5	-178.7	0	0	0	0	111	H77 K82 L83 V89 Q92 L96	H77-V80 HydrophobicContact CB-CB 4.15Å; H77-V80 HydrophobicContact CB-CG2 4.28Å; H77-V80 PolarHBondContact O-N 3.43Å; V80-K82 PolarHBondContact O-N 2.89Å; V80-L83 HydrophobicContact CG1-CD1 4.45Å; V80-L83 WeakPolarHBondContact O-CB 3.47Å; V80-L83 PolarHBondContact O-N 3.36Å; V80-L83 VanDerWaalsContact O-N 3.13Å; V80-V89 HydrophobicContact CG1-CB 4.31Å; V80-V89 HydrophobicContact CG1-CG1 3.81Å; V80-V89 HydrophobicContact CG1-CG2 4.47Å; V80-Q92 HydrophobicContact CG1-CB 4.39Å; V80-Q92 HydrophobicContact CG2-CB 4.03Å; V80-L96 HydrophobicContact CG2-CD1 3.96Å
81	S	89.4	Confident	88.7	Confident	62 Å²	62	63.7 Å²	63.7	43%	0.434	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65.2	-21.8	179.5	60.7	0	0	0	0	114.1	H77 L83	H77-S81 WeakPolarHBondContact O-CB 3.48Å; H77-S81 PolarHBondContact O-N 3.12Å; H77-S81 PolarHBondContact O-OG 2.77Å; S81-L83 VanDerWaalsContact C-N 3.29Å
82	K	90.3	Very high	88.6	Confident	166 Å²	166	66.1 Å²	66.1	72%	0.722	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-75.9	-18.3	176.7	-67.8	174.4	-176.1	172.5	0	112.6	P78 E79 V80 R84	P78-K82 WeakPolarHBondContact O-CD 3.45Å; P78-K82 VanDerWaalsContact O-CE 3.26Å; P78-K82 WeakPolarHBondContact O-CE 3.42Å; P78-K82 WeakPolarHBondContact O-CG 3.15Å; E79-K82 PolarHBondContact O-N 2.94Å; V80-K82 PolarHBondContact O-N 2.89Å; K82-R84 PolarHBondContact O-N 3.37Å
83	L	89	Confident	88.5	Confident	56 Å²	56	62.1 Å²	62.1	29%	0.293	31%	0.31	S	S	.	.			trans	-72.6	126.4	-177.9	-59.4	172.1	0	0	0	110.6	V80 S81 L88 V89 Q92	V80-L83 HydrophobicContact CG1-CD1 4.45Å; V80-L83 WeakPolarHBondContact O-CB 3.47Å; V80-L83 PolarHBondContact O-N 3.36Å; V80-L83 VanDerWaalsContact O-N 3.13Å; S81-L83 VanDerWaalsContact C-N 3.29Å; L83-L88 HydrophobicContact CD1-CB 4.38Å; L83-V89 HydrophobicContact CB-CG2 3.7Å; L83-Q92 HydrophobicContact CD1-CB 4Å; L83-Q92 HydrophobicContact CD1-CG 3.76Å
84	R	82.9	Confident	88.2	Confident	213 Å²	213	60.9 Å²	60.9	80%	0.804	30%	0.303	S	S	*	.			trans	-80.5	-28.5	-176.1	-65.9	-175.4	179	-174.8	0.1	113.6	K72 K82	K72-R84 VanDerWaalsContact CE-O 3.24Å; K72-R84 WeakPolarHBondContact CE-O 3.24Å; K72-R84 PolarHBondContact NZ-O 2.95Å; K82-R84 PolarHBondContact O-N 3.37Å
85	Q	83.1	Confident	87.8	Confident	126 Å²	126	61.9 Å²	61.9	59%	0.589	31%	0.31	S	S	*	.	S	Bend	trans	-94	129.8	-174.5	-62.5	-175.6	6.1	0	0	110.8	K87 L88 V89	Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 3.41Å; Q85-L88 HydrophobicContact CB-CB 4.41Å; Q85-L88 HydrophobicContact CB-CD1 4.06Å; Q85-L88 HydrophobicContact CB-CG 4.14Å; Q85-L88 HydrophobicContact CG-CD1 4.4Å; Q85-L88 PolarHBondContact O-N 3.16Å; Q85-V89 WeakPolarHBondContact O-CG2 3.47Å; Q85-V89 PolarHBondContact O-N 2.9Å; Q85-V89 VanDerWaalsContact O-N 3.14Å
86	G	83.1	Confident	87.5	Confident	29 Å²	29	61.6 Å²	61.6	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-58.1	-42.8	-178.3	0	0	0	0	0	113.3	L88 V89 D90	G86-L88 VanDerWaalsContact C-N 3.34Å; G86-L88 PolarHBondContact O-N 2.89Å; G86-V89 WeakPolarHBondContact O-CB 3.49Å; G86-V89 PolarHBondContact O-N 2.67Å; G86-V89 VanDerWaalsContact O-N 3.13Å; G86-D90 VanDerWaalsContact O-CG 3.22Å; G86-D90 PolarHBondContact O-N 2.99Å
87	K	82.3	Confident	87.1	Confident	110 Å²	110	61.2 Å²	61.2	48%	0.478	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-38.9	-179.6	-63.3	-176.4	179.4	-179	0	113.5	Q85 D90 G91 W351	Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 3.41Å; K87-D90 PolarHBondContact O-N 3.32Å; K87-G91 PolarHBondContact O-N 3.38Å; K87-W351 HydrophobicContact CD-CD2 4.37Å; K87-W351 VanDerWaalsContact NZ-CZ2 3.26Å; K87-W351 VanDerWaalsContact NZ-NE1 3.19Å
88	L	86.1	Confident	86.5	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.335	30%	0.3	S	S	.	.	H	α-helix	trans	-70.3	-38.4	176.7	-63.4	177.9	0	0	0	111	L83 Q85 G86 D90 G91 Q92	L83-L88 HydrophobicContact CD1-CB 4.38Å; Q85-L88 HydrophobicContact CB-CB 4.41Å; Q85-L88 HydrophobicContact CB-CD1 4.06Å; Q85-L88 HydrophobicContact CB-CG 4.14Å; Q85-L88 HydrophobicContact CG-CD1 4.4Å; Q85-L88 PolarHBondContact O-N 3.16Å; G86-L88 VanDerWaalsContact C-N 3.34Å; G86-L88 PolarHBondContact O-N 2.89Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 3.48Å; L88-G91 PolarHBondContact O-N 3.04Å; L88-Q92 WeakPolarHBondContact O-CB 3.34Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.41Å
89	V	89.2	Confident	85.9	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-42.5	172.1	170.1	0	0	0	0	110.7	R71 K72 V80 L83 Q85 G86 C93	R71-V89 HydrophobicContact CB-CG1 3.88Å; K72-V89 HydrophobicContact CB-CG2 4.49Å; V80-V89 HydrophobicContact CG1-CB 4.31Å; V80-V89 HydrophobicContact CG1-CG1 3.81Å; V80-V89 HydrophobicContact CG1-CG2 4.47Å; L83-V89 HydrophobicContact CB-CG2 3.7Å; Q85-V89 WeakPolarHBondContact O-CG2 3.47Å; Q85-V89 PolarHBondContact O-N 2.9Å; Q85-V89 VanDerWaalsContact O-N 3.14Å; G86-V89 WeakPolarHBondContact O-CB 3.49Å; G86-V89 PolarHBondContact O-N 2.67Å; G86-V89 VanDerWaalsContact O-N 3.13Å; V89-C93 WeakPolarHBondContact O-CB 3.15Å; V89-C93 PolarHBondContact O-N 3.28Å
90	D	85.9	Confident	85.3	Confident	56 Å²	56	53.1 Å²	53.1	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-43.4	-179.4	-63.1	-31.6	0	0	0	111.8	R71 G86 K87 L88 C93 L94	R71-D90 WeakPolarHBondContact CD-OD1 3.38Å; R71-D90 PolarHBondContact NH1-O 3.1Å; G86-D90 VanDerWaalsContact O-CG 3.22Å; G86-D90 PolarHBondContact O-N 2.99Å; K87-D90 PolarHBondContact O-N 3.32Å; L88-D90 VanDerWaalsContact C-N 3.28Å; L88-D90 PolarHBondContact O-N 3.48Å; D90-C93 PolarHBondContact O-N 3.3Å; D90-L94 WeakPolarHBondContact O-CB 3.17Å; D90-L94 PolarHBondContact O-N 3.05Å
91	G	84.9	Confident	84.8	Confident	2 Å²	2	53.5 Å²	53.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-46.7	176.2	0	0	0	0	0	112.9	K87 L88 C93 L94 S95	K87-G91 PolarHBondContact O-N 3.38Å; L88-G91 PolarHBondContact O-N 3.04Å; G91-C93 PolarHBondContact O-N 3.2Å; G91-L94 WeakPolarHBondContact O-CB 3.48Å; G91-L94 PolarHBondContact O-N 3.3Å; G91-S95 PolarHBondContact O-N 3.19Å
92	Q	87	Confident	84.5	Confident	73 Å²	73	52.7 Å²	52.7	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-72	-27.6	177.9	-69.9	-71.7	-24	0	0	113.4	V80 L83 L88 S95 L96	V80-Q92 HydrophobicContact CG1-CB 4.39Å; V80-Q92 HydrophobicContact CG2-CB 4.03Å; L83-Q92 HydrophobicContact CD1-CB 4Å; L83-Q92 HydrophobicContact CD1-CG 3.76Å; L88-Q92 WeakPolarHBondContact O-CB 3.34Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.41Å; Q92-S95 WeakPolarHBondContact CA-OG 3.47Å; Q92-S95 PolarHBondContact O-OG 2.86Å; Q92-L96 WeakPolarHBondContact O-CG 3.5Å
93	C	89	Confident	84	Confident	19 Å²	19	47.2 Å²	47.2	13%	0.128	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-46	169.1	-172.3	0	0	0	0	109.7	V89 D90 G91 S95 L96 T97	V89-C93 WeakPolarHBondContact O-CB 3.15Å; V89-C93 PolarHBondContact O-N 3.28Å; D90-C93 PolarHBondContact O-N 3.3Å; G91-C93 PolarHBondContact O-N 3.2Å; C93-S95 PolarHBondContact O-N 3.12Å; C93-L96 PolarHBondContact O-N 3.43Å; C93-L96 VanDerWaalsContact O-N 3.13Å; C93-T97 WeakPolarHBondContact O-CG2 3.36Å; C93-T97 PolarHBondContact O-N 3.47Å; C93-T97 PolarHBondContact O-OG1 3.43Å
94	L	84	Confident	83.7	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-40.4	179.6	-174.2	67.1	0	0	0	112.3	D90 G91 L96 T97 S98 I260 T347	D90-L94 WeakPolarHBondContact O-CB 3.17Å; D90-L94 PolarHBondContact O-N 3.05Å; G91-L94 WeakPolarHBondContact O-CB 3.48Å; G91-L94 PolarHBondContact O-N 3.3Å; L94-L96 PolarHBondContact O-N 3.12Å; L94-L96 VanDerWaalsContact O-N 3.16Å; L94-T97 PolarHBondContact O-N 3.25Å; L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.26Å; L94-S98 PolarHBondContact O-N 3.42Å; L94-I260 HydrophobicContact CD2-CG1 4.24Å; L94-T347 HydrophobicContact CD2-CG2 3.62Å
95	S	85.4	Confident	83.7	Confident	20 Å²	20	43 Å²	43	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-23.7	176.6	66.4	0	0	0	0	113.4	G91 Q92 C93 V101 A345	G91-S95 PolarHBondContact O-N 3.19Å; Q92-S95 WeakPolarHBondContact CA-OG 3.47Å; Q92-S95 PolarHBondContact O-OG 2.86Å; C93-S95 PolarHBondContact O-N 3.12Å; S95-V101 WeakPolarHBondContact O-CG2 3.37Å; S95-A345 WeakPolarHBondContact CA-O 3.4Å; S95-A345 WeakPolarHBondContact CB-O 3.15Å; S95-A345 PolarHBondContact N-O 3.02Å
96	L	86.9	Confident	83.7	Confident	16 Å²	16	44 Å²	44	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-100	-18.2	179.3	-64.6	174.8	0	0	0	114.1	V80 Q92 C93 L94 P112 C114	V80-L96 HydrophobicContact CG2-CD1 3.96Å; Q92-L96 WeakPolarHBondContact O-CG 3.5Å; C93-L96 PolarHBondContact O-N 3.43Å; C93-L96 VanDerWaalsContact O-N 3.13Å; L94-L96 PolarHBondContact O-N 3.12Å; L94-L96 VanDerWaalsContact O-N 3.16Å; L96-P112 HydrophobicContact CD2-CB 4.16Å; L96-C114 HydrophobicContact CB-CB 4.02Å; L96-C114 PolarHBondContact O-N 2.88Å
97	T	86	Confident	83.7	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-118.7	-2.6	-173.7	67.4	0	0	0	0	114.3	C93 L94 C114 F117	C93-T97 WeakPolarHBondContact O-CG2 3.36Å; C93-T97 PolarHBondContact O-N 3.47Å; C93-T97 PolarHBondContact O-OG1 3.43Å; L94-T97 PolarHBondContact O-N 3.25Å; T97-C114 HydrophobicContact CG2-CB 4.1Å; T97-F117 HydrophobicContact CG2-CB 3.9Å; T97-F117 HydrophobicContact CG2-CD1 3.85Å; T97-F117 HydrophobicContact CG2-CD2 4.37Å; T97-F117 HydrophobicContact CG2-CG 3.76Å
98	S	80.4	Confident	83.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.252	C	S	.	.			trans	-63.5	145.5	-177	64.7	0	0	0	0	112.1	L94 F100 V101 R102	L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.26Å; L94-S98 PolarHBondContact O-N 3.42Å; S98-F100 PolarHBondContact O-N 3.17Å; S98-F100 VanDerWaalsContact OG-CE1 3.29Å; S98-F100 WeakPolarHBondContact OG-CE1 3.32Å; S98-F100 VanDerWaalsContact OG-CE2 3.28Å; S98-F100 WeakPolarHBondContact OG-CE2 2.98Å; S98-F100 WeakPolarHBondContact OG-CZ 3.17Å; S98-V101 PolarHBondContact O-N 3.29Å; S98-V101 VanDerWaalsContact O-N 3.14Å; S98-V101 WeakPolarHBondContact OG-CB 3.25Å; S98-V101 WeakPolarHBondContact OG-CG2 3.08Å; S98-V101 PolarHBondContact OG-N 3.29Å; S98-R102 VanDerWaalsContact O-CG 3.31Å; S98-R102 WeakPolarHBondContact O-CG 3.41Å; S98-R102 PolarHBondContact O-N 2.98Å
99	S	77.8	Confident	83.8	Confident	45 Å²	45	51 Å²	51	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-55.2	-38.2	-179.3	62.7	0	0	0	0	113.3	R102 A103 D258	S99-R102 PolarHBondContact O-N 2.91Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.83Å; S99-D258 WeakPolarHBondContact CB-OD1 3.18Å; S99-D258 VanDerWaalsContact CB-OD2 3.29Å; S99-D258 WeakPolarHBondContact CB-OD2 3.39Å; S99-D258 PolarHBondContact N-OD1 3.37Å; S99-D258 PolarHBondContact OG-OD1 2.9Å; S99-D258 PolarHBondContact OG-OD2 2.72Å
100	F	77.5	Confident	83.7	Confident	26 Å²	26	55.3 Å²	55.3	11%	0.114	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-36.7	179.9	59	-94.5	0	0	0	112.6	S98 R102 A103 K104 E343 A345	S98-F100 PolarHBondContact O-N 3.17Å; S98-F100 VanDerWaalsContact OG-CE1 3.29Å; S98-F100 WeakPolarHBondContact OG-CE1 3.32Å; S98-F100 VanDerWaalsContact OG-CE2 3.28Å; S98-F100 WeakPolarHBondContact OG-CE2 2.98Å; S98-F100 WeakPolarHBondContact OG-CZ 3.17Å; F100-R102 VanDerWaalsContact C-N 3.33Å; F100-A103 PolarHBondContact O-N 3.07Å; F100-K104 WeakPolarHBondContact O-CB 3.39Å; F100-K104 WeakPolarHBondContact O-CG 3.49Å; F100-K104 PolarHBondContact O-N 2.88Å; F100-E343 HydrophobicContact CB-CB 4.42Å; F100-E343 HydrophobicContact CB-CG 3.89Å; F100-E343 HydrophobicContact CD2-CB 3.7Å; F100-E343 HydrophobicContact CD2-CG 4.13Å; F100-E343 HydrophobicContact CE2-CB 4.04Å; F100-E343 WeakPolarHBondContact CE2-O 3.3Å; F100-E343 HydrophobicContact CG-CB 4.02Å; F100-E343 HydrophobicContact CG-CG 3.99Å; F100-A345 HydrophobicContact CE2-CB 4.46Å
101	V	81	Confident	83.6	Confident	13 Å²	13	54 Å²	54	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-38.8	174.1	169.7	0	0	0	0	110.3	S95 S98 K104 R105 V111 P112	S95-V101 WeakPolarHBondContact O-CG2 3.37Å; S98-V101 PolarHBondContact O-N 3.29Å; S98-V101 VanDerWaalsContact O-N 3.14Å; S98-V101 WeakPolarHBondContact OG-CB 3.25Å; S98-V101 WeakPolarHBondContact OG-CG2 3.08Å; S98-V101 PolarHBondContact OG-N 3.29Å; V101-K104 PolarHBondContact O-N 3.27Å; V101-R105 WeakPolarHBondContact O-CB 3.48Å; V101-R105 PolarHBondContact O-N 3.39Å; V101-V111 HydrophobicContact CG1-CG1 3.87Å; V101-P112 WeakPolarHBondContact CG1-O 3.21Å
102	R	81.9	Confident	83.6	Confident	45 Å²	45	58.3 Å²	58.3	17%	0.17	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-42.5	175.3	-63.2	177.4	73.9	-152.2	-2.7	111.8	S98 S99 F100 R105 I106 E118 F121	S98-R102 VanDerWaalsContact O-CG 3.31Å; S98-R102 WeakPolarHBondContact O-CG 3.41Å; S98-R102 PolarHBondContact O-N 2.98Å; S99-R102 PolarHBondContact O-N 2.91Å; F100-R102 VanDerWaalsContact C-N 3.33Å; R102-R105 PolarHBondContact O-N 3.13Å; R102-I106 WeakPolarHBondContact O-CG1 3.16Å; R102-I106 PolarHBondContact O-N 2.83Å; R102-E118 VanDerWaalsContact CD-OE1 3.29Å; R102-E118 WeakPolarHBondContact CD-OE1 3.48Å; R102-E118 VanDerWaalsContact CG-OE1 3.24Å; R102-E118 WeakPolarHBondContact CG-OE1 3.48Å; R102-E118 IonicContact CZ-OE1 3.56Å; R102-E118 IonicContact CZ-OE2 3.57Å; R102-E118 VanDerWaalsContact NE-CD 3.33Å; R102-E118 IonicContact NE-OE1 3.67Å; R102-E118 PolarHBondContact NE-OE1 2.85Å; R102-E118 IonicContact NE-OE2 2.66Å; R102-E118 PolarHBondContact NE-OE2 2.91Å; R102-E118 VanDerWaalsContact NE-OE2 3.09Å; R102-E118 IonicContact NH2-OE1 3.67Å; R102-E118 IonicContact NH2-OE2 3.39Å; R102-E118 PolarHBondContact NH2-OE2 3.06Å; R102-F121 VanDerWaalsContact NH2-CG 3.29Å
103	A	81.8	Confident	83.5	Confident	50 Å²	50	55.5 Å²	55.5	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-47	174.9	0	0	0	0	0	111.6	S99 F100 R105 I106 E107	S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.83Å; F100-A103 PolarHBondContact O-N 3.07Å; A103-R105 VanDerWaalsContact C-N 3.26Å; A103-R105 PolarHBondContact O-N 2.89Å; A103-I106 WeakPolarHBondContact O-CB 3.05Å; A103-I106 PolarHBondContact O-N 3.39Å; A103-I106 VanDerWaalsContact O-N 3.12Å; A103-E107 PolarHBondContact O-N 3.27Å
104	K	82.1	Confident	83.5	Confident	90 Å²	90	55.1 Å²	55.1	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-35.6	174.7	-75.9	-178.9	-179.4	176	0	112.6	F100 V101 I106 E107 D108 V111 E343	F100-K104 WeakPolarHBondContact O-CB 3.39Å; F100-K104 WeakPolarHBondContact O-CG 3.49Å; F100-K104 PolarHBondContact O-N 2.88Å; V101-K104 PolarHBondContact O-N 3.27Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 3.5Å; K104-E107 PolarHBondContact O-N 2.96Å; K104-E107 VanDerWaalsContact O-N 3.13Å; K104-D108 PolarHBondContact O-N 3.46Å; K104-V111 HydrophobicContact CB-CG2 4.42Å; K104-E343 WeakPolarHBondContact CE-OE2 3.43Å; K104-E343 IonicContact NZ-OE2 3.92Å; K104-E343 PolarHBondContact NZ-OE2 3.25Å
105	R	82.5	Confident	83.7	Confident	90 Å²	90	55.7 Å²	55.7	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-27.9	177.6	-174.5	172	172.6	130.2	-13.3	113.5	V101 R102 A103 E107 D108 V111 C113	V101-R105 WeakPolarHBondContact O-CB 3.48Å; V101-R105 PolarHBondContact O-N 3.39Å; R102-R105 PolarHBondContact O-N 3.13Å; A103-R105 VanDerWaalsContact C-N 3.26Å; A103-R105 PolarHBondContact O-N 2.89Å; R105-E107 VanDerWaalsContact C-N 3.26Å; R105-D108 WeakPolarHBondContact CA-O 3.34Å; R105-D108 CarbonylContact O-C 3.29Å; R105-V111 HydrophobicContact CB-CB 4.22Å; R105-V111 PolarHBondContact NH1-O 2.85Å; R105-C113 WeakPolarHBondContact CD-SG 3.47Å; R105-C113 PolarHBondContact NE-SG 3.45Å; R105-C113 PolarHBondContact NH1-SG 3.36Å
106	I	82.7	Confident	83.9	Confident	149 Å²	149	57.2 Å²	57.2	76%	0.764	32%	0.318	S	S	*	.	H	α-helix	trans	-65.7	-35.6	172.6	-64.4	166.7	0	0	0	109.9	R102 A103 K104	R102-I106 WeakPolarHBondContact O-CG1 3.16Å; R102-I106 PolarHBondContact O-N 2.83Å; A103-I106 WeakPolarHBondContact O-CB 3.05Å; A103-I106 PolarHBondContact O-N 3.39Å; A103-I106 VanDerWaalsContact O-N 3.12Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 3.5Å
107	E	84.5	Confident	84.1	Confident	169 Å²	169	57.1 Å²	57.1	79%	0.79	32%	0.317	S	S	*	.	H	α-helix	trans	-80.2	-43	177.2	-61.4	-179.9	175.6	0	0	112.5	A103 K104 R105	A103-E107 PolarHBondContact O-N 3.27Å; K104-E107 PolarHBondContact O-N 2.96Å; K104-E107 VanDerWaalsContact O-N 3.13Å; R105-E107 VanDerWaalsContact C-N 3.26Å
108	D	84.8	Confident	84.1	Confident	76 Å²	76	58 Å²	58	41%	0.406	32%	0.32	S	S	.	.			trans	-127.9	101.4	-179.8	-176.8	-1.5	0	0	0	110.9	K104 R105 S110 V111	K104-D108 PolarHBondContact O-N 3.46Å; R105-D108 WeakPolarHBondContact CA-O 3.34Å; R105-D108 CarbonylContact O-C 3.29Å; D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 WeakPolarHBondContact OD1-CB 3.46Å; D108-S110 PolarHBondContact OD1-N 2.94Å; D108-S110 PolarHBondContact OD1-OG 3.49Å; D108-S110 PolarHBondContact OD2-OG 3.32Å; D108-V111 HydrophobicContact CB-CG2 4.05Å; D108-V111 WeakPolarHBondContact O-CG2 3.47Å; D108-V111 PolarHBondContact O-N 2.84Å; D108-V111 VanDerWaalsContact O-N 3.15Å
109	P	85.1	Confident	84.4	Confident	104 Å²	104	60.6 Å²	60.6	68%	0.675	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.3	178.1	-26.3	35.2	0	0	0	115.2	V111	P109-V111 VanDerWaalsContact C-N 3.28Å; P109-V111 PolarHBondContact O-N 3.32Å
110	S	86.1	Confident	84.9	Confident	92 Å²	92	59.2 Å²	59.2	64%	0.643	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.3	178.5	78.4	0	0	0	0	113.7	D108	D108-S110 PolarHBondContact O-N 3.49Å; D108-S110 WeakPolarHBondContact OD1-CB 3.46Å; D108-S110 PolarHBondContact OD1-N 2.94Å; D108-S110 PolarHBondContact OD1-OG 3.49Å; D108-S110 PolarHBondContact OD2-OG 3.32Å
111	V	84.2	Confident	85.2	Confident	30 Å²	30	62.1 Å²	62.1	18%	0.182	34%	0.335	C	S	.	.	S	Bend	trans	-67	128.6	-178	178.7	0	0	0	0	110.8	V101 K104 R105 D108 P109 C113	V101-V111 HydrophobicContact CG1-CG1 3.87Å; K104-V111 HydrophobicContact CB-CG2 4.42Å; R105-V111 HydrophobicContact CB-CB 4.22Å; R105-V111 PolarHBondContact NH1-O 2.85Å; D108-V111 HydrophobicContact CB-CG2 4.05Å; D108-V111 WeakPolarHBondContact O-CG2 3.47Å; D108-V111 PolarHBondContact O-N 2.84Å; D108-V111 VanDerWaalsContact O-N 3.15Å; P109-V111 VanDerWaalsContact C-N 3.28Å; P109-V111 PolarHBondContact O-N 3.32Å; V111-C113 PolarHBondContact O-N 3.36Å
112	P	84.7	Confident	85.3	Confident	91 Å²	91	66.2 Å²	66.2	59%	0.591	36%	0.357	S	S	*	.			trans	-65.6	131.9	-179	27.3	-34.6	0	0	0	111.1	L96 V101	L96-P112 HydrophobicContact CD2-CB 4.16Å; V101-P112 WeakPolarHBondContact CG1-O 3.21Å
113	C	84.6	Confident	85.4	Confident	14 Å²	14	69.3 Å²	69.3	10%	0.095	38%	0.376	C	S	.	.			trans	-140.6	166.4	169.5	89.2	0	0	0	0	110.2	R105 V111 G115 E118	R105-C113 WeakPolarHBondContact CD-SG 3.47Å; R105-C113 PolarHBondContact NE-SG 3.45Å; R105-C113 PolarHBondContact NH1-SG 3.36Å; V111-C113 PolarHBondContact O-N 3.36Å; C113-G115 PolarHBondContact O-N 3.41Å; C113-E118 WeakPolarHBondContact SG-CG 3.44Å
114	C	89.3	Confident	85	Confident	11 Å²	11	66.9 Å²	66.9	7%	0.074	36%	0.357	C	S	.	.			trans	-81.5	104.7	175.4	-174.4	0	0	0	0	110.8	L96 T97 Y116 F117 E118	L96-C114 HydrophobicContact CB-CB 4.02Å; L96-C114 PolarHBondContact O-N 2.88Å; T97-C114 HydrophobicContact CG2-CB 4.1Å; C114-Y116 PolarHBondContact O-N 3.1Å; C114-F117 HydrophobicContact CB-CB 4Å; C114-F117 PolarHBondContact O-N 3.5Å; C114-E118 PolarHBondContact O-N 3.01Å; C114-E118 VanDerWaalsContact O-N 3.17Å
115	G	88.1	Confident	84.6	Confident	26 Å²	26	65.3 Å²	65.3	27%	0.268	35%	0.354	S	S	.	.	H	α-helix	trans	-53.4	-40.6	176.8	0	0	0	0	0	113.3	C113 F117 E118 D119	C113-G115 PolarHBondContact O-N 3.41Å; G115-F117 PolarHBondContact O-N 3.01Å; G115-E118 PolarHBondContact O-N 2.95Å; G115-D119 VanDerWaalsContact O-CG 3.23Å; G115-D119 PolarHBondContact O-N 3.25Å
116	Y	91	Very high	84.3	Confident	51 Å²	51	69.2 Å²	69.2	20%	0.2	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-29.6	176.8	-59.5	-78.8	0	0	0	114.3	I76 C114 F120 H147 W148 C149	I76-Y116 HydrophobicContact CD1-CD1 3.44Å; I76-Y116 VanDerWaalsContact CD1-CD1 3.44Å; I76-Y116 HydrophobicContact CD1-CE1 3.49Å; I76-Y116 VanDerWaalsContact CD1-CE1 3.49Å; I76-Y116 HydrophobicContact CD1-CG 3.99Å; I76-Y116 HydrophobicContact CG1-CD1 4.06Å; I76-Y116 HydrophobicContact CG1-CD2 4.28Å; I76-Y116 HydrophobicContact CG1-CE1 4.11Å; I76-Y116 HydrophobicContact CG1-CE2 4.34Å; I76-Y116 HydrophobicContact CG1-CG 4.14Å; C114-Y116 PolarHBondContact O-N 3.1Å; Y116-F120 WeakPolarHBondContact O-CB 3.42Å; Y116-H147 AromaticContact CD1-CD2 4Å; Y116-H147 AromaticContact CD1-NE2 3.99Å; Y116-H147 AromaticContact CE1-CD2 3.59Å; Y116-H147 AromaticContact CE1-NE2 3.63Å; Y116-H147 AromaticContact CZ-NE2 3.94Å; Y116-W148 CarbonylContact O-C 3.57Å; Y116-W148 WeakPolarHBondContact O-CA 3.05Å; Y116-C149 PolarHBondContact O-N 2.7Å
117	F	89.1	Confident	83.9	Confident	15 Å²	15	64 Å²	64	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-81.3	-44.1	178.5	176.3	-108	0	0	0	111.1	T97 C114 G115 F120 F121 F152	T97-F117 HydrophobicContact CG2-CB 3.9Å; T97-F117 HydrophobicContact CG2-CD1 3.85Å; T97-F117 HydrophobicContact CG2-CD2 4.37Å; T97-F117 HydrophobicContact CG2-CG 3.76Å; C114-F117 HydrophobicContact CB-CB 4Å; C114-F117 PolarHBondContact O-N 3.5Å; G115-F117 PolarHBondContact O-N 3.01Å; F117-F120 PolarHBondContact O-N 3.2Å; F117-F121 WeakPolarHBondContact O-CB 3.45Å; F117-F121 PolarHBondContact O-N 3.05Å; F117-F152 HydrophobicContact CD2-CD1 4.1Å; F117-F152 AromaticContact CD2-CD2 3.44Å; F117-F152 HydrophobicContact CD2-CD2 3.44Å; F117-F152 VanDerWaalsContact CD2-CD2 3.44Å; F117-F152 HydrophobicContact CD2-CE1 4.02Å; F117-F152 AromaticContact CD2-CE2 3.43Å; F117-F152 HydrophobicContact CD2-CE2 3.43Å; F117-F152 VanDerWaalsContact CD2-CE2 3.43Å; F117-F152 AromaticContact CD2-CG 3.8Å; F117-F152 HydrophobicContact CD2-CG 3.8Å; F117-F152 AromaticContact CD2-CZ 3.73Å; F117-F152 HydrophobicContact CD2-CZ 3.73Å; F117-F152 AromaticContact CE2-CD1 3.58Å; F117-F152 HydrophobicContact CE2-CD1 3.58Å; F117-F152 AromaticContact CE2-CD2 3.81Å; F117-F152 HydrophobicContact CE2-CD2 3.81Å; F117-F152 AromaticContact CE2-CE1 3.38Å; F117-F152 HydrophobicContact CE2-CE1 3.38Å; F117-F152 AromaticContact CE2-CE2 3.69Å; F117-F152 HydrophobicContact CE2-CE2 3.69Å; F117-F152 AromaticContact CE2-CG 3.77Å; F117-F152 HydrophobicContact CE2-CG 3.77Å; F117-F152 AromaticContact CE2-CZ 3.47Å; F117-F152 HydrophobicContact CE2-CZ 3.47Å; F117-F152 VanDerWaalsContact CE2-CZ 3.47Å; F117-F152 HydrophobicContact CG-CE2 4.34Å; F117-F152 HydrophobicContact CZ-CE1 4.2Å; F117-F152 HydrophobicContact CZ-CZ 4.27Å
118	E	86.7	Confident	83.6	Confident	30 Å²	30	59.8 Å²	59.8	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-45.8	177.6	-63.9	-51.5	142.5	0	0	111.8	R102 C113 C114 G115 F120 F121 N122	R102-E118 VanDerWaalsContact CD-OE1 3.29Å; R102-E118 WeakPolarHBondContact CD-OE1 3.48Å; R102-E118 VanDerWaalsContact CG-OE1 3.24Å; R102-E118 WeakPolarHBondContact CG-OE1 3.48Å; R102-E118 IonicContact CZ-OE1 3.56Å; R102-E118 IonicContact CZ-OE2 3.57Å; R102-E118 VanDerWaalsContact NE-CD 3.33Å; R102-E118 IonicContact NE-OE1 3.67Å; R102-E118 PolarHBondContact NE-OE1 2.85Å; R102-E118 IonicContact NE-OE2 2.66Å; R102-E118 PolarHBondContact NE-OE2 2.91Å; R102-E118 VanDerWaalsContact NE-OE2 3.09Å; R102-E118 IonicContact NH2-OE1 3.67Å; R102-E118 IonicContact NH2-OE2 3.39Å; R102-E118 PolarHBondContact NH2-OE2 3.06Å; C113-E118 WeakPolarHBondContact SG-CG 3.44Å; C114-E118 PolarHBondContact O-N 3.01Å; C114-E118 VanDerWaalsContact O-N 3.17Å; G115-E118 PolarHBondContact O-N 2.95Å; E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 2.93Å; E118-F121 PolarHBondContact O-N 3.43Å; E118-F121 VanDerWaalsContact O-N 3.09Å; E118-N122 WeakPolarHBondContact O-CB 3.44Å; E118-N122 VanDerWaalsContact O-CG 3.24Å; E118-N122 PolarHBondContact O-N 3.12Å; E118-N122 PolarHBondContact O-ND2 3.49Å
119	D	87.8	Confident	83.7	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-34.9	179.8	-63.6	-16	0	0	0	111.5	G115 D123 H147 W148	G115-D119 VanDerWaalsContact O-CG 3.23Å; G115-D119 PolarHBondContact O-N 3.25Å; D119-D123 PolarHBondContact O-N 2.9Å; D119-H147 IonicContact OD2-CE1 2.7Å; D119-H147 PolarHBondContact OD2-CE1 3.5Å; D119-H147 IonicContact OD2-CG 2.7Å; D119-H147 IonicContact OD2-ND1 3.38Å; D119-H147 PolarHBondContact OD2-ND1 3.07Å; D119-W148 PolarHBondContact O-NE1 3.27Å
120	F	88	Confident	83.8	Confident	15 Å²	15	55 Å²	55	7%	0.066	31%	0.311	C	S	.	.	I	π-helix	trans	-69.4	-37.7	173.1	176.6	-104	0	0	0	112.2	Y116 F117 E118 G124 T125 W148 F152 V153 H156	Y116-F120 WeakPolarHBondContact O-CB 3.42Å; F117-F120 PolarHBondContact O-N 3.2Å; E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 2.93Å; F120-G124 CarbonylContact O-C 3.5Å; F120-G124 WeakPolarHBondContact O-CA 3.35Å; F120-G124 PolarHBondContact O-N 2.89Å; F120-T125 PolarHBondContact O-N 2.54Å; F120-T125 VanDerWaalsContact O-N 3.17Å; F120-W148 HydrophobicContact CB-CB 4.01Å; F120-W148 HydrophobicContact CB-CG 4.04Å; F120-W148 HydrophobicContact CD2-CB 4.1Å; F120-W148 HydrophobicContact CD2-CD2 4.19Å; F120-W148 HydrophobicContact CD2-CE3 4.41Å; F120-W148 HydrophobicContact CD2-CG 4.06Å; F120-W148 HydrophobicContact CG-CB 4.48Å; F120-F152 HydrophobicContact CD1-CB 3.65Å; F120-F152 HydrophobicContact CE1-CB 3.64Å; F120-V153 HydrophobicContact CD2-CG2 3.42Å; F120-V153 VanDerWaalsContact CD2-CG2 3.42Å; F120-V153 HydrophobicContact CE2-CB 4.14Å; F120-V153 HydrophobicContact CE2-CG2 3.45Å; F120-V153 VanDerWaalsContact CE2-CG2 3.45Å; F120-V153 HydrophobicContact CG-CG2 4.24Å; F120-V153 HydrophobicContact CZ-CG2 4.28Å; F120-H156 HydrophobicContact CE1-CB 4.5Å; F120-H156 HydrophobicContact CZ-CB 3.83Å
121	F	84.2	Confident	83.8	Confident	87 Å²	87	54.8 Å²	54.8	38%	0.382	31%	0.309	S	S	.	.	I	π-helix	trans	-67.6	-42.4	178.7	-172.4	-92.6	0	0	0	111.5	R102 F117 E118 T125	R102-F121 VanDerWaalsContact NH2-CG 3.29Å; F117-F121 WeakPolarHBondContact O-CB 3.45Å; F117-F121 PolarHBondContact O-N 3.05Å; E118-F121 PolarHBondContact O-N 3.43Å; E118-F121 VanDerWaalsContact O-N 3.09Å; F121-T125 WeakPolarHBondContact O-CG2 3.5Å; F121-T125 PolarHBondContact O-OG1 3.04Å
122	N	82.7	Confident	84.1	Confident	100 Å²	100	54.5 Å²	54.5	54%	0.535	31%	0.312	S	S	.	.	I	π-helix	trans	-72.8	-51.1	-178.4	-65.6	-23.8	0	0	0	112.5	E118	E118-N122 WeakPolarHBondContact O-CB 3.44Å; E118-N122 VanDerWaalsContact O-CG 3.24Å; E118-N122 PolarHBondContact O-N 3.12Å; E118-N122 PolarHBondContact O-ND2 3.49Å
123	D	82.4	Confident	84.5	Confident	109 Å²	109	51.1 Å²	51.1	58%	0.583	29%	0.289	S	S	*	.	I	π-helix	trans	-107.5	-29.7	-171.9	-59.8	-23.3	0	0	0	112.8	D119 W148	D119-D123 PolarHBondContact O-N 2.9Å; D123-W148 HydrophobicContact CB-CZ2 4.2Å
124	G	73.7	Confident	85	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-80.7	-23.6	-167.7	0	0	0	0	0	114.6	F120 E126 S127	F120-G124 CarbonylContact O-C 3.5Å; F120-G124 WeakPolarHBondContact O-CA 3.35Å; F120-G124 PolarHBondContact O-N 2.89Å; G124-E126 PolarHBondContact O-N 3.4Å; G124-S127 WeakPolarHBondContact CA-OG 3.45Å; G124-S127 PolarHBondContact O-N 3.36Å; G124-S127 PolarHBondContact O-OG 3.24Å
125	T	75.4	Confident	85.2	Confident	56 Å²	56	52.1 Å²	52.1	34%	0.344	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.4	-176.2	50.9	0	0	0	0	113.3	F120 F121 H156	F120-T125 PolarHBondContact O-N 2.54Å; F120-T125 VanDerWaalsContact O-N 3.17Å; F121-T125 WeakPolarHBondContact O-CG2 3.5Å; F121-T125 PolarHBondContact O-OG1 3.04Å; T125-H156 PolarHBondContact O-NE2 3.5Å
126	E	75.3	Confident	85.4	Confident	173 Å²	173	51.5 Å²	51.5	81%	0.808	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-30	173.5	-62.2	-170.5	168	0	0	111.9	G124	G124-E126 PolarHBondContact O-N 3.4Å
127	S	74.5	Confident	85.5	Confident	38 Å²	38	53.5 Å²	53.5	27%	0.266	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-72.1	134	-177.8	81.8	0	0	0	0	112	G124 W148	G124-S127 WeakPolarHBondContact CA-OG 3.45Å; G124-S127 PolarHBondContact O-N 3.36Å; G124-S127 PolarHBondContact O-OG 3.24Å; S127-W148 WeakPolarHBondContact OG-CH2 3.36Å; S127-W148 WeakPolarHBondContact OG-CZ3 3.46Å
128	V	78	Confident	85.7	Confident	82 Å²	82	55 Å²	55	50%	0.497	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-95.3	135.4	176.7	-158.3	0	0	0	0	109	P130	V128-P130 WeakPolarHBondContact O-CD 3.39Å
129	L	86.1	Confident	86	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-61.5	122.6	167.2	-166.1	67.9	0	0	0	107.8	L64 V66 Y134 L139 Y142 V153 A157	L64-L129 HydrophobicContact CD1-CB 4.4Å; L64-L129 HydrophobicContact CD1-CD2 4.08Å; L64-L129 HydrophobicContact CD1-CG 4.29Å; V66-L129 HydrophobicContact CG2-CD2 4.25Å; L129-Y134 HydrophobicContact CD1-CE1 4.1Å; L129-Y134 HydrophobicContact CD1-CE2 4.27Å; L129-Y134 HydrophobicContact CD2-CD1 4.45Å; L129-Y134 HydrophobicContact CD2-CD2 3.51Å; L129-Y134 HydrophobicContact CD2-CE1 4.48Å; L129-Y134 HydrophobicContact CD2-CE2 3.56Å; L129-Y134 HydrophobicContact CD2-CG 3.99Å; L129-Y134 HydrophobicContact CG-CD2 4.07Å; L129-Y134 HydrophobicContact CG-CE1 4.3Å; L129-Y134 HydrophobicContact CG-CE2 3.57Å; L129-L139 HydrophobicContact CD2-CD2 4.12Å; L129-Y142 HydrophobicContact CD1-CD1 3.84Å; L129-Y142 HydrophobicContact CD1-CD2 4.44Å; L129-Y142 HydrophobicContact CD1-CE1 3.58Å; L129-Y142 HydrophobicContact CD1-CE2 4.22Å; L129-Y142 HydrophobicContact CD1-CG 4.27Å; L129-V153 HydrophobicContact CD1-CG1 4.17Å; L129-A157 HydrophobicContact CB-CB 4.47Å; L129-A157 HydrophobicContact CD2-CB 4.16Å
130	P	87	Confident	86.3	Confident	67 Å²	67	53.2 Å²	53.2	44%	0.435	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-63.7	151.6	-175.1	17.6	-21.2	0	0	0	110.6	V128 G132 Y134	V128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-G132 PolarHBondContact O-N 3.34Å; P130-Y134 WeakPolarHBondContact CD-OH 3.42Å; P130-Y134 VanDerWaalsContact CG-OH 3.29Å; P130-Y134 WeakPolarHBondContact CG-OH 3.26Å; P130-Y134 VanDerWaalsContact O-CE2 3.25Å; P130-Y134 WeakPolarHBondContact O-CE2 3.34Å; P130-Y134 PolarHBondContact O-OH 2.83Å
131	C	87.4	Confident	86.6	Confident	86 Å²	86	57.4 Å²	57.4	58%	0.581	31%	0.31	S	S	*	.	S	Bend	trans	-52.6	134.8	177.9	-63.1	0	0	0	0	110.5
132	G	90.4	Very high	87	Confident	24 Å²	24	55.4 Å²	55.4	25%	0.247	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.3	167.4	-168.4	0	0	0	0	0	111.4	I63 L64 G65 P130	I63-G132 PolarHBondContact O-N 3.24Å; L64-G132 WeakPolarHBondContact CA-O 3.3Å; G65-G132 PolarHBondContact N-O 2.86Å; P130-G132 PolarHBondContact O-N 3.34Å
133	V	93.1	Very high	87.4	Confident	20 Å²	20	50.7 Å²	50.7	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.1	-179.1	180	0	0	0	0	108.7	V43 L46 K47 G65	V43-V133 HydrophobicContact CG1-CG1 3.67Å; L46-V133 HydrophobicContact CB-CG1 4.24Å; L46-V133 HydrophobicContact CD2-CG1 3.86Å; L46-V133 HydrophobicContact CD2-CG2 4.04Å; L46-V133 HydrophobicContact CG-CG1 4.03Å; L46-V133 HydrophobicContact CG-CG2 3.89Å; K47-V133 WeakPolarHBondContact CE-O 3.37Å; K47-V133 HydrophobicContact CG-CB 3.68Å; K47-V133 HydrophobicContact CG-CG1 3.64Å; G65-V133 WeakPolarHBondContact O-CA 3.48Å
134	Y	94.1	Very high	87.9	Confident	31 Å²	31	51.8 Å²	51.8	12%	0.122	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.7	-173	-59.7	-91.9	0	0	0	111.4	L64 G65 A67 L129 P130 D138 L139	L64-Y134 HydrophobicContact CD1-CD2 4.04Å; L64-Y134 HydrophobicContact CD1-CE2 3.72Å; G65-Y134 PolarHBondContact O-N 2.89Å; A67-Y134 PolarHBondContact N-O 3.07Å; L129-Y134 HydrophobicContact CD1-CE1 4.1Å; L129-Y134 HydrophobicContact CD1-CE2 4.27Å; L129-Y134 HydrophobicContact CD2-CD1 4.45Å; L129-Y134 HydrophobicContact CD2-CD2 3.51Å; L129-Y134 HydrophobicContact CD2-CE1 4.48Å; L129-Y134 HydrophobicContact CD2-CE2 3.56Å; L129-Y134 HydrophobicContact CD2-CG 3.99Å; L129-Y134 HydrophobicContact CG-CD2 4.07Å; L129-Y134 HydrophobicContact CG-CE1 4.3Å; L129-Y134 HydrophobicContact CG-CE2 3.57Å; P130-Y134 WeakPolarHBondContact CD-OH 3.42Å; P130-Y134 VanDerWaalsContact CG-OH 3.29Å; P130-Y134 WeakPolarHBondContact CG-OH 3.26Å; P130-Y134 VanDerWaalsContact O-CE2 3.25Å; P130-Y134 WeakPolarHBondContact O-CE2 3.34Å; P130-Y134 PolarHBondContact O-OH 2.83Å; Y134-D138 HydrophobicContact CD1-CB 4.36Å; Y134-L139 HydrophobicContact CD1-CD2 4.37Å; Y134-L139 HydrophobicContact CG-CD2 4.12Å
135	N	93.9	Very high	88.8	Confident	15 Å²	15	60.4 Å²	60.4	8%	0.08	31%	0.312	C	S	.	.			trans	-79.6	170.2	168.5	-152	-25.2	0	0	0	110.5	S40 V43 E44 Q137 D138 L139	S40-N135 PolarHBondContact OG-OD1 3.44Å; V43-N135 HydrophobicContact CG1-CB 3.73Å; E44-N135 PolarHBondContact OE1-ND2 2.7Å; N135-Q137 PolarHBondContact O-N 2.91Å; N135-D138 WeakPolarHBondContact CB-OD2 3.3Å; N135-D138 PolarHBondContact N-OD2 3.32Å; N135-D138 PolarHBondContact O-N 3.31Å; N135-L139 WeakPolarHBondContact O-CG 3.42Å; N135-L139 PolarHBondContact O-N 2.97Å
136	L	92.5	Very high	89.5	Confident	14 Å²	14	63 Å²	63	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-35.1	-178.6	-59.4	177.8	0	0	0	112.4	I36 A67 L74 K140	I36-L136 HydrophobicContact CG2-CD1 3.78Å; A67-L136 HydrophobicContact CB-CD2 3.87Å; A67-L136 HydrophobicContact CB-CG 4.23Å; L74-L136 HydrophobicContact CD1-CD2 4.43Å; L74-L136 HydrophobicContact CD2-CB 4.31Å; L74-L136 HydrophobicContact CD2-CD2 3.96Å; L74-L136 HydrophobicContact CG-CD2 4.29Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.29Å
137	Q	92.8	Very high	90.3	Very high	93 Å²	93	58.6 Å²	58.6	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-74.3	-42.5	177.2	-176.5	59.5	22.2	0	0	111.7	N135 L139 K140 E141	N135-Q137 PolarHBondContact O-N 2.91Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.49Å; Q137-K140 WeakPolarHBondContact O-CB 3.4Å; Q137-K140 PolarHBondContact O-N 2.99Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.42Å; Q137-E141 PolarHBondContact NE2-OE1 2.99Å; Q137-E141 PolarHBondContact O-N 3.38Å
138	D	93.9	Very high	91.2	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-40.7	177.2	-49.6	-31.3	0	0	0	111	K47 Y134 N135 K140 E141 Y142	K47-D138 WeakPolarHBondContact CE-OD2 3.32Å; K47-D138 IonicContact NZ-OD1 2.77Å; K47-D138 IonicContact NZ-OD2 2.83Å; K47-D138 PolarHBondContact NZ-OD2 2.66Å; Y134-D138 HydrophobicContact CD1-CB 4.36Å; N135-D138 WeakPolarHBondContact CB-OD2 3.3Å; N135-D138 PolarHBondContact N-OD2 3.32Å; N135-D138 PolarHBondContact O-N 3.31Å; D138-K140 VanDerWaalsContact C-N 3.34Å; D138-K140 PolarHBondContact O-N 3.35Å; D138-E141 PolarHBondContact O-N 3.1Å; D138-Y142 VanDerWaalsContact O-CB 3.32Å; D138-Y142 WeakPolarHBondContact O-CB 3.49Å; D138-Y142 PolarHBondContact O-N 3Å
139	L	93.3	Very high	91.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-38	175.1	-71.6	171.3	0	0	0	112.3	V66 A67 L74 L129 Y134 N135 Q137 G143 P150 A154	V66-L139 HydrophobicContact CG1-CD1 4.34Å; A67-L139 WeakPolarHBondContact O-CD1 3.28Å; L74-L139 HydrophobicContact CD2-CB 4.14Å; L74-L139 HydrophobicContact CD2-CD1 4.2Å; L129-L139 HydrophobicContact CD2-CD2 4.12Å; Y134-L139 HydrophobicContact CD1-CD2 4.37Å; Y134-L139 HydrophobicContact CG-CD2 4.12Å; N135-L139 WeakPolarHBondContact O-CG 3.42Å; N135-L139 PolarHBondContact O-N 2.97Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.49Å; L139-G143 PolarHBondContact O-N 2.68Å; L139-P150 HydrophobicContact CB-CB 4.31Å; L139-P150 WeakPolarHBondContact O-CB 3.45Å; L139-A154 HydrophobicContact CD1-CB 3.97Å
140	K	94.3	Very high	92.3	Very high	46 Å²	46	53.9 Å²	53.9	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-43.3	174.7	-75.6	178.8	179.1	166.3	0	112	N73 I76 L136 Q137 D138 G143 K144 P150	N73-K140 WeakPolarHBondContact O-CE 3.48Å; N73-K140 PolarHBondContact O-NZ 2.94Å; I76-K140 HydrophobicContact CG2-CB 4.15Å; I76-K140 HydrophobicContact CG2-CG 3.98Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.29Å; Q137-K140 WeakPolarHBondContact O-CB 3.4Å; Q137-K140 PolarHBondContact O-N 2.99Å; D138-K140 VanDerWaalsContact C-N 3.34Å; D138-K140 PolarHBondContact O-N 3.35Å; K140-G143 PolarHBondContact O-N 3.42Å; K140-K144 WeakPolarHBondContact O-CB 3.43Å; K140-K144 VanDerWaalsContact O-CG 3.31Å; K140-K144 WeakPolarHBondContact O-CG 3.25Å; K140-K144 PolarHBondContact O-N 2.99Å; K140-P150 HydrophobicContact CG-CG 4.42Å
141	E	94.1	Very high	92.5	Very high	104 Å²	104	51.9 Å²	51.9	49%	0.486	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-41.6	178.9	-71.4	173.9	-165.5	0	0	111	Q137 D138 K144 K145	Q137-E141 WeakPolarHBondContact CG-OE1 3.42Å; Q137-E141 PolarHBondContact NE2-OE1 2.99Å; Q137-E141 PolarHBondContact O-N 3.38Å; D138-E141 PolarHBondContact O-N 3.1Å; E141-K144 PolarHBondContact O-N 3.43Å; E141-K145 WeakPolarHBondContact O-CB 3.27Å; E141-K145 PolarHBondContact O-N 3.33Å
142	Y	92	Very high	92.6	Very high	45 Å²	45	48.5 Å²	48.5	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-48.7	172.5	-172	-95	0	0	0	111.7	L129 D138 K144 K145 K146 W148	L129-Y142 HydrophobicContact CD1-CD1 3.84Å; L129-Y142 HydrophobicContact CD1-CD2 4.44Å; L129-Y142 HydrophobicContact CD1-CE1 3.58Å; L129-Y142 HydrophobicContact CD1-CE2 4.22Å; L129-Y142 HydrophobicContact CD1-CG 4.27Å; D138-Y142 VanDerWaalsContact O-CB 3.32Å; D138-Y142 WeakPolarHBondContact O-CB 3.49Å; D138-Y142 PolarHBondContact O-N 3Å; Y142-K144 VanDerWaalsContact C-N 3.34Å; Y142-K144 PolarHBondContact O-N 2.89Å; Y142-K145 PolarHBondContact O-N 3.46Å; Y142-K146 HydrophobicContact CE1-CG 4.14Å; Y142-K146 HydrophobicContact CE2-CG 4.39Å; Y142-K146 PolarHBondContact O-N 3.2Å; Y142-W148 AromaticContact CE1-CE3 3.97Å; Y142-W148 HydrophobicContact CE1-CE3 3.97Å; Y142-W148 HydrophobicContact CE1-CZ3 4.04Å
143	G	92.2	Very high	92.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-37.1	177	0	0	0	0	0	113.2	L139 K140 H147 W148	L139-G143 PolarHBondContact O-N 2.68Å; K140-G143 PolarHBondContact O-N 3.42Å; G143-H147 CarbonylContact O-C 3.59Å; G143-H147 WeakPolarHBondContact O-CA 3.17Å; G143-H147 PolarHBondContact O-N 3.47Å; G143-W148 CarbonylContact C-O 3.4Å; G143-W148 WeakPolarHBondContact CA-O 3.18Å; G143-W148 PolarHBondContact O-N 2.94Å
144	K	92.6	Very high	92.6	Very high	132 Å²	132	46.9 Å²	46.9	57%	0.574	21%	0.211	S	C	*	.	H	α-helix	trans	-65.2	-42.3	172.7	-75.7	176.3	-179.6	-176.9	0	112.4	I76 K140 E141 Y142	I76-K144 HydrophobicContact CD1-CG 4.29Å; I76-K144 HydrophobicContact CG2-CG 4.43Å; K140-K144 WeakPolarHBondContact O-CB 3.43Å; K140-K144 VanDerWaalsContact O-CG 3.31Å; K140-K144 WeakPolarHBondContact O-CG 3.25Å; K140-K144 PolarHBondContact O-N 2.99Å; E141-K144 PolarHBondContact O-N 3.43Å; Y142-K144 VanDerWaalsContact C-N 3.34Å; Y142-K144 PolarHBondContact O-N 2.89Å
145	K	92.4	Very high	92.3	Very high	182 Å²	182	47.9 Å²	47.9	79%	0.791	22%	0.215	S	C	*	.	H	α-helix	trans	-67.5	-39.1	-178.8	-175.8	178.4	179.5	179.5	0	112.5	E141 Y142	E141-K145 WeakPolarHBondContact O-CB 3.27Å; E141-K145 PolarHBondContact O-N 3.33Å; Y142-K145 PolarHBondContact O-N 3.46Å
146	K	89.8	Confident	92	Very high	109 Å²	109	49.6 Å²	49.6	47%	0.474	22%	0.222	S	C	.	.	H	α-helix	trans	-93.1	-5.8	179.9	-72.3	-69.3	-171	172.2	0	114.2	Y142 W148	Y142-K146 HydrophobicContact CE1-CG 4.14Å; Y142-K146 HydrophobicContact CE2-CG 4.39Å; Y142-K146 PolarHBondContact O-N 3.2Å; K146-W148 VanDerWaalsContact C-N 3.31Å; K146-W148 HydrophobicContact CB-CD2 3.76Å; K146-W148 HydrophobicContact CB-CE3 3.77Å; K146-W148 HydrophobicContact CB-CG 4.12Å; K146-W148 HydrophobicContact CB-CZ3 4.23Å; K146-W148 HydrophobicContact CD-CH2 4.41Å; K146-W148 HydrophobicContact CD-CZ3 4.49Å; K146-W148 HydrophobicContact CG-CE3 4.19Å; K146-W148 HydrophobicContact CG-CZ3 4.19Å
147	H	92.3	Very high	91.8	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.375	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	39.1	-170.9	-156.4	-92.5	0	0	0	113.5	Y116 D119 G143	Y116-H147 AromaticContact CD1-CD2 4Å; Y116-H147 AromaticContact CD1-NE2 3.99Å; Y116-H147 AromaticContact CE1-CD2 3.59Å; Y116-H147 AromaticContact CE1-NE2 3.63Å; Y116-H147 AromaticContact CZ-NE2 3.94Å; D119-H147 IonicContact OD2-CE1 2.7Å; D119-H147 PolarHBondContact OD2-CE1 3.5Å; D119-H147 IonicContact OD2-CG 2.7Å; D119-H147 IonicContact OD2-ND1 3.38Å; D119-H147 PolarHBondContact OD2-ND1 3.07Å; G143-H147 CarbonylContact O-C 3.59Å; G143-H147 WeakPolarHBondContact O-CA 3.17Å; G143-H147 PolarHBondContact O-N 3.47Å
148	W	93.3	Very high	91.7	Very high	22 Å²	22	45.2 Å²	45.2	8%	0.083	20%	0.203	C	C	.	.			trans	-114.6	151.3	178.5	-67	-20.3	0	0	0	112.3	Y116 D119 F120 D123 S127 Y142 G143 K146 P150 V153	Y116-W148 CarbonylContact O-C 3.57Å; Y116-W148 WeakPolarHBondContact O-CA 3.05Å; D119-W148 PolarHBondContact O-NE1 3.27Å; F120-W148 HydrophobicContact CB-CB 4.01Å; F120-W148 HydrophobicContact CB-CG 4.04Å; F120-W148 HydrophobicContact CD2-CB 4.1Å; F120-W148 HydrophobicContact CD2-CD2 4.19Å; F120-W148 HydrophobicContact CD2-CE3 4.41Å; F120-W148 HydrophobicContact CD2-CG 4.06Å; F120-W148 HydrophobicContact CG-CB 4.48Å; D123-W148 HydrophobicContact CB-CZ2 4.2Å; S127-W148 WeakPolarHBondContact OG-CH2 3.36Å; S127-W148 WeakPolarHBondContact OG-CZ3 3.46Å; Y142-W148 AromaticContact CE1-CE3 3.97Å; Y142-W148 HydrophobicContact CE1-CE3 3.97Å; Y142-W148 HydrophobicContact CE1-CZ3 4.04Å; G143-W148 CarbonylContact C-O 3.4Å; G143-W148 WeakPolarHBondContact CA-O 3.18Å; G143-W148 PolarHBondContact O-N 2.94Å; K146-W148 VanDerWaalsContact C-N 3.31Å; K146-W148 HydrophobicContact CB-CD2 3.76Å; K146-W148 HydrophobicContact CB-CE3 3.77Å; K146-W148 HydrophobicContact CB-CG 4.12Å; K146-W148 HydrophobicContact CB-CZ3 4.23Å; K146-W148 HydrophobicContact CD-CH2 4.41Å; K146-W148 HydrophobicContact CD-CZ3 4.49Å; K146-W148 HydrophobicContact CG-CE3 4.19Å; K146-W148 HydrophobicContact CG-CZ3 4.19Å; W148-P150 WeakPolarHBondContact O-CD 3.33Å; W148-V153 HydrophobicContact CB-CG2 3.86Å; W148-V153 HydrophobicContact CE3-CG2 4.36Å
149	C	92.9	Very high	91.2	Very high	13 Å²	13	47.5 Å²	47.5	9%	0.088	21%	0.213	C	C	.	.			trans	-72.1	113.2	177.4	-173.3	0	0	0	0	111.4	Y116 Y151 F152 V153	Y116-C149 PolarHBondContact O-N 2.7Å; C149-Y151 PolarHBondContact O-N 3.05Å; C149-Y151 VanDerWaalsContact O-N 3.14Å; C149-F152 HydrophobicContact CB-CD2 4.06Å; C149-F152 PolarHBondContact O-N 3.24Å; C149-V153 VanDerWaalsContact O-CG2 3.31Å; C149-V153 WeakPolarHBondContact O-CG2 3.42Å; C149-V153 PolarHBondContact O-N 3.31Å
150	P	93.5	Very high	90.9	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-32.7	-175.5	-24.1	33.6	0	0	0	113.8	L74 I76 L139 K140 W148 A154	L74-P150 HydrophobicContact CB-CB 4.44Å; L74-P150 HydrophobicContact CD2-CB 4.36Å; L74-P150 WeakPolarHBondContact O-CG 3.36Å; I76-P150 HydrophobicContact CD1-CG 4Å; I76-P150 HydrophobicContact CG1-CG 4.24Å; I76-P150 HydrophobicContact CG2-CG 3.9Å; L139-P150 HydrophobicContact CB-CB 4.31Å; L139-P150 WeakPolarHBondContact O-CB 3.45Å; K140-P150 HydrophobicContact CG-CG 4.42Å; W148-P150 WeakPolarHBondContact O-CD 3.33Å; P150-A154 VanDerWaalsContact O-CB 3.3Å; P150-A154 WeakPolarHBondContact O-CB 3.22Å; P150-A154 PolarHBondContact O-N 3.18Å
151	Y	92.2	Very high	90.8	Very high	25 Å²	25	51.9 Å²	51.9	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-46.6	179.4	175.9	-99.6	0	0	0	112.2	R71 L74 C149 R155	R71-Y151 HydrophobicContact CG-CD1 4.02Å; R71-Y151 HydrophobicContact CG-CD2 3.8Å; R71-Y151 HydrophobicContact CG-CE1 3.94Å; R71-Y151 HydrophobicContact CG-CE2 3.71Å; R71-Y151 HydrophobicContact CG-CG 3.96Å; L74-Y151 HydrophobicContact CD1-CD2 4.25Å; C149-Y151 PolarHBondContact O-N 3.05Å; C149-Y151 VanDerWaalsContact O-N 3.14Å; Y151-R155 WeakPolarHBondContact O-CB 3.31Å; Y151-R155 PolarHBondContact O-N 3.46Å
152	F	89.4	Confident	90.7	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-75.9	-33.2	179.5	-72	-88.9	0	0	0	111.9	F117 F120 C149 R155 H156	F117-F152 HydrophobicContact CD2-CD1 4.1Å; F117-F152 AromaticContact CD2-CD2 3.44Å; F117-F152 HydrophobicContact CD2-CD2 3.44Å; F117-F152 VanDerWaalsContact CD2-CD2 3.44Å; F117-F152 HydrophobicContact CD2-CE1 4.02Å; F117-F152 AromaticContact CD2-CE2 3.43Å; F117-F152 HydrophobicContact CD2-CE2 3.43Å; F117-F152 VanDerWaalsContact CD2-CE2 3.43Å; F117-F152 AromaticContact CD2-CG 3.8Å; F117-F152 HydrophobicContact CD2-CG 3.8Å; F117-F152 AromaticContact CD2-CZ 3.73Å; F117-F152 HydrophobicContact CD2-CZ 3.73Å; F117-F152 AromaticContact CE2-CD1 3.58Å; F117-F152 HydrophobicContact CE2-CD1 3.58Å; F117-F152 AromaticContact CE2-CD2 3.81Å; F117-F152 HydrophobicContact CE2-CD2 3.81Å; F117-F152 AromaticContact CE2-CE1 3.38Å; F117-F152 HydrophobicContact CE2-CE1 3.38Å; F117-F152 AromaticContact CE2-CE2 3.69Å; F117-F152 HydrophobicContact CE2-CE2 3.69Å; F117-F152 AromaticContact CE2-CG 3.77Å; F117-F152 HydrophobicContact CE2-CG 3.77Å; F117-F152 AromaticContact CE2-CZ 3.47Å; F117-F152 HydrophobicContact CE2-CZ 3.47Å; F117-F152 VanDerWaalsContact CE2-CZ 3.47Å; F117-F152 HydrophobicContact CG-CE2 4.34Å; F117-F152 HydrophobicContact CZ-CE1 4.2Å; F117-F152 HydrophobicContact CZ-CZ 4.27Å; F120-F152 HydrophobicContact CD1-CB 3.65Å; F120-F152 HydrophobicContact CE1-CB 3.64Å; C149-F152 HydrophobicContact CB-CD2 4.06Å; C149-F152 PolarHBondContact O-N 3.24Å; F152-R155 PolarHBondContact O-N 3.41Å; F152-H156 WeakPolarHBondContact O-CB 3.29Å; F152-H156 PolarHBondContact O-N 2.9Å
153	V	91.5	Very high	90.8	Very high	10 Å²	10	47 Å²	47	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-51.7	169.2	172.8	0	0	0	0	110.3	F120 L129 W148 C149 R155 H156 A157	F120-V153 HydrophobicContact CD2-CG2 3.42Å; F120-V153 VanDerWaalsContact CD2-CG2 3.42Å; F120-V153 HydrophobicContact CE2-CB 4.14Å; F120-V153 HydrophobicContact CE2-CG2 3.45Å; F120-V153 VanDerWaalsContact CE2-CG2 3.45Å; F120-V153 HydrophobicContact CG-CG2 4.24Å; F120-V153 HydrophobicContact CZ-CG2 4.28Å; L129-V153 HydrophobicContact CD1-CG1 4.17Å; W148-V153 HydrophobicContact CB-CG2 3.86Å; W148-V153 HydrophobicContact CE3-CG2 4.36Å; C149-V153 VanDerWaalsContact O-CG2 3.31Å; C149-V153 WeakPolarHBondContact O-CG2 3.42Å; C149-V153 PolarHBondContact O-N 3.31Å; V153-R155 VanDerWaalsContact C-N 3.34Å; V153-R155 PolarHBondContact O-N 3.39Å; V153-H156 PolarHBondContact O-N 3.2Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.31Å; V153-A157 PolarHBondContact O-N 2.88Å
154	A	91.4	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-44.8	178.1	0	0	0	0	0	111.6	V66 L68 L74 L139 P150 H156 A157 I158	V66-A154 HydrophobicContact CG1-CB 4.12Å; L68-A154 HydrophobicContact CD1-CB 4.1Å; L74-A154 HydrophobicContact CD1-CB 4.43Å; L139-A154 HydrophobicContact CD1-CB 3.97Å; P150-A154 VanDerWaalsContact O-CB 3.3Å; P150-A154 WeakPolarHBondContact O-CB 3.22Å; P150-A154 PolarHBondContact O-N 3.18Å; A154-H156 PolarHBondContact O-N 2.96Å; A154-A157 PolarHBondContact O-N 3.36Å; A154-I158 WeakPolarHBondContact O-CG1 3.47Å; A154-I158 PolarHBondContact O-N 3.3Å; A154-I158 VanDerWaalsContact O-N 3.08Å
155	R	88	Confident	91.1	Very high	52 Å²	52	40.7 Å²	40.7	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-43.7	178.9	-174.5	177.2	175.2	163.8	-2.5	112.5	Y151 F152 V153 A157 I158 L179	Y151-R155 WeakPolarHBondContact O-CB 3.31Å; Y151-R155 PolarHBondContact O-N 3.46Å; F152-R155 PolarHBondContact O-N 3.41Å; V153-R155 VanDerWaalsContact C-N 3.34Å; V153-R155 PolarHBondContact O-N 3.39Å; R155-A157 VanDerWaalsContact C-N 3.35Å; R155-I158 WeakPolarHBondContact O-CB 3.4Å; R155-I158 PolarHBondContact O-N 2.97Å; R155-L179 PolarHBondContact NH2-O 2.92Å
156	H	87.4	Confident	91.1	Very high	51 Å²	51	32 Å²	32	24%	0.236	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-39.2	176.3	-170.8	80.3	0	0	0	111.2	F120 T125 F152 V153 A154 I158 M159	F120-H156 HydrophobicContact CE1-CB 4.5Å; F120-H156 HydrophobicContact CZ-CB 3.83Å; T125-H156 PolarHBondContact O-NE2 3.5Å; F152-H156 WeakPolarHBondContact O-CB 3.29Å; F152-H156 PolarHBondContact O-N 2.9Å; V153-H156 PolarHBondContact O-N 3.2Å; A154-H156 PolarHBondContact O-N 2.96Å; H156-I158 VanDerWaalsContact C-N 3.26Å; H156-I158 PolarHBondContact O-N 2.87Å; H156-M159 WeakPolarHBondContact ND1-CE 3.27Å; H156-M159 PolarHBondContact O-N 2.85Å
157	A	89.6	Confident	91.3	Very high	8 Å²	8	27.7 Å²	27.7	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-26.9	178.5	0	0	0	0	0	113.3	V66 L129 V153 A154 R155 M159 R160 A161	V66-A157 HydrophobicContact CG2-CB 4Å; L129-A157 HydrophobicContact CB-CB 4.47Å; L129-A157 HydrophobicContact CD2-CB 4.16Å; V153-A157 VanDerWaalsContact O-CB 3.27Å; V153-A157 WeakPolarHBondContact O-CB 3.31Å; V153-A157 PolarHBondContact O-N 2.88Å; A154-A157 PolarHBondContact O-N 3.36Å; R155-A157 VanDerWaalsContact C-N 3.35Å; A157-M159 PolarHBondContact O-N 3.01Å; A157-M159 VanDerWaalsContact O-N 3.17Å; A157-R160 PolarHBondContact O-N 3.14Å; A157-A161 VanDerWaalsContact O-CB 3.29Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.39Å
158	I	88.9	Confident	91.2	Very high	7 Å²	7	24 Å²	24	4%	0.036	11%	0.11	C	C	.	.	H	α-helix	trans	-54.4	-35.8	176.4	-71.2	164.4	0	0	0	112	K28 L68 A154 R155 H156 R160 V164 V180 L184	K28-I158 PolarHBondContact NZ-O 3.18Å; L68-I158 HydrophobicContact CB-CD1 4.49Å; L68-I158 HydrophobicContact CD1-CD1 4.16Å; L68-I158 HydrophobicContact CD2-CD1 3.61Å; L68-I158 HydrophobicContact CG-CD1 4.28Å; A154-I158 WeakPolarHBondContact O-CG1 3.47Å; A154-I158 PolarHBondContact O-N 3.3Å; A154-I158 VanDerWaalsContact O-N 3.08Å; R155-I158 WeakPolarHBondContact O-CB 3.4Å; R155-I158 PolarHBondContact O-N 2.97Å; H156-I158 VanDerWaalsContact C-N 3.26Å; H156-I158 PolarHBondContact O-N 2.87Å; I158-R160 VanDerWaalsContact C-N 3.29Å; I158-R160 PolarHBondContact O-N 2.91Å; I158-V164 HydrophobicContact CG1-CG1 4.16Å; I158-V164 HydrophobicContact CG2-CG2 4.31Å; I158-V180 HydrophobicContact CD1-CG1 3.76Å; I158-L184 HydrophobicContact CG2-CD2 3.97Å
159	M	84.7	Confident	91	Very high	94 Å²	94	26.5 Å²	26.5	46%	0.463	12%	0.123	S	C	.	.	H	α-helix	trans	-61.8	-40.1	-179.7	-67.9	-171.6	-73.6	0	0	111.5	K28 H156 A157	K28-M159 PolarHBondContact NZ-O 3.46Å; H156-M159 WeakPolarHBondContact ND1-CE 3.27Å; H156-M159 PolarHBondContact O-N 2.85Å; A157-M159 PolarHBondContact O-N 3.01Å; A157-M159 VanDerWaalsContact O-N 3.17Å
160	R	87.2	Confident	90.8	Very high	138 Å²	138	27.1 Å²	27.1	52%	0.521	12%	0.124	S	C	.	.	H	α-helix	trans	-99	-15.6	-176.1	-64.1	-175.7	177.6	163.3	2.7	114.7	A157 I158	A157-R160 PolarHBondContact O-N 3.14Å; I158-R160 VanDerWaalsContact C-N 3.29Å; I158-R160 PolarHBondContact O-N 2.91Å
161	A	91.3	Very high	90.6	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.017	13%	0.126	C	C	.	.			trans	-64.7	137.8	-177.1	0	0	0	0	0	112.1	K28 L64 V66 A157 V164	K28-A161 WeakPolarHBondContact CE-O 3.46Å; L64-A161 HydrophobicContact CD2-CB 4.25Å; L64-A161 HydrophobicContact CG-CB 4.12Å; V66-A161 HydrophobicContact CB-CB 4.42Å; V66-A161 HydrophobicContact CG2-CB 4.01Å; A157-A161 VanDerWaalsContact O-CB 3.29Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.39Å; A161-V164 HydrophobicContact CB-CG2 3.87Å
162	N	92.5	Very high	90.4	Very high	45 Å²	45	26.5 Å²	26.5	24%	0.241	12%	0.122	C	C	.	.	S	Bend	trans	-76.4	-36.5	173.2	-62.5	98.7	0	0	0	111.4	Q19 K28 L29 I63 L64	Q19-N162 PolarHBondContact NE2-ND2 2.91Å; K28-N162 WeakPolarHBondContact CA-O 3.48Å; L29-N162 PolarHBondContact N-O 2.98Å; I63-N162 HydrophobicContact CG2-CB 4.01Å; L64-N162 PolarHBondContact N-OD1 3.02Å; L64-N162 PolarHBondContact O-N 3.36Å
163	V	94.5	Very high	90.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.6	-179.7	-174.1	0	0	0	0	109.5	L29 L46 I63 L64 G65 V66 I165	L29-V163 HydrophobicContact CB-CG1 4.49Å; L29-V163 HydrophobicContact CB-CG2 4.33Å; L29-V163 HydrophobicContact CD2-CG1 3.99Å; L29-V163 HydrophobicContact CD2-CG2 4.32Å; L29-V163 HydrophobicContact CG-CG1 4.19Å; L29-V163 CarbonylContact O-C 3.34Å; L29-V163 WeakPolarHBondContact O-CA 3.43Å; L46-V163 HydrophobicContact CD2-CB 4.04Å; L46-V163 HydrophobicContact CD2-CG1 3.85Å; L46-V163 HydrophobicContact CD2-CG2 4.38Å; I63-V163 HydrophobicContact CG2-CG2 3.99Å; L64-V163 PolarHBondContact O-N 3.19Å; L64-V163 VanDerWaalsContact O-N 3.12Å; G65-V163 CarbonylContact C-O 3.58Å; G65-V163 WeakPolarHBondContact CA-O 3.38Å; V66-V163 PolarHBondContact N-O 3.02Å; V163-I165 HydrophobicContact CG1-CD1 4.43Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å
164	V	94.4	Very high	89.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.9	178	-177.5	0	0	0	0	109	K28 L29 V30 Y31 I158 A161 Y166	K28-V164 HydrophobicContact CD-CG2 4.21Å; L29-V164 PolarHBondContact O-N 3.34Å; V30-V164 CarbonylContact C-O 3.55Å; V30-V164 WeakPolarHBondContact CA-O 3.43Å; Y31-V164 PolarHBondContact N-O 3.04Å; I158-V164 HydrophobicContact CG1-CG1 4.16Å; I158-V164 HydrophobicContact CG2-CG2 4.31Å; A161-V164 HydrophobicContact CB-CG2 3.87Å; V164-Y166 HydrophobicContact CG1-CD1 3.43Å; V164-Y166 VanDerWaalsContact CG1-CD1 3.43Å; V164-Y166 HydrophobicContact CG1-CE1 3.61Å
165	I	95.2	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.2	-176.8	-50.3	167.8	0	0	0	109.3	Y31 I39 V42 V43 L46 V66 A67 L68 V163	Y31-I165 HydrophobicContact CD1-CG2 4.38Å; Y31-I165 WeakPolarHBondContact O-CA 3.43Å; I39-I165 HydrophobicContact CB-CG2 4.28Å; I39-I165 HydrophobicContact CG1-CG2 4.3Å; I39-I165 HydrophobicContact CG2-CB 4.46Å; I39-I165 HydrophobicContact CG2-CG2 3.82Å; V42-I165 HydrophobicContact CB-CD1 4.32Å; V42-I165 HydrophobicContact CB-CG2 4.22Å; V42-I165 HydrophobicContact CG1-CD1 3.72Å; V42-I165 HydrophobicContact CG1-CG1 4.28Å; V42-I165 HydrophobicContact CG1-CG2 4.16Å; V43-I165 HydrophobicContact CB-CD1 4.34Å; V43-I165 HydrophobicContact CG2-CB 4.48Å; V43-I165 HydrophobicContact CG2-CD1 3.54Å; L46-I165 HydrophobicContact CD2-CD1 4.23Å; V66-I165 PolarHBondContact O-N 2.97Å; A67-I165 WeakPolarHBondContact CA-O 3.48Å; L68-I165 PolarHBondContact N-O 2.91Å; V163-I165 HydrophobicContact CG1-CD1 4.43Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å
166	Y	93.9	Very high	88.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-179.9	180	56.8	-125.8	0	0	0	113.8	V30 Y31 C32 S33 L68 V164 Y170 L171 S181	V30-Y166 HydrophobicContact CG1-CE1 3.89Å; V30-Y166 HydrophobicContact CG1-CE2 3.95Å; V30-Y166 WeakPolarHBondContact CG1-OH 3.46Å; Y31-Y166 PolarHBondContact O-N 3.28Å; C32-Y166 WeakPolarHBondContact CA-O 3.34Å; C32-Y166 VanDerWaalsContact SG-CE2 3.57Å; S33-Y166 PolarHBondContact N-O 3.44Å; L68-Y166 HydrophobicContact CD2-CD1 4.33Å; V164-Y166 HydrophobicContact CG1-CD1 3.43Å; V164-Y166 VanDerWaalsContact CG1-CD1 3.43Å; V164-Y166 HydrophobicContact CG1-CE1 3.61Å; Y166-Y170 HydrophobicContact CD2-CG 4.4Å; Y166-Y170 HydrophobicContact CG-CG 4.34Å; Y166-L171 HydrophobicContact CE2-CB 4.04Å; Y166-S181 PolarHBondContact OH-OG 3.46Å
167	S	92.7	Very high	88.2	Confident	19 Å²	19	26.7 Å²	26.7	13%	0.133	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	152.2	179.1	-177.8	0	0	0	0	113.1	S33 R34 H169 Y170	S33-S167 VanDerWaalsContact O-CA 3.23Å; S33-S167 WeakPolarHBondContact O-CA 3.28Å; R34-S167 PolarHBondContact O-OG 3.46Å; S167-H169 PolarHBondContact O-N 3.21Å; S167-Y170 PolarHBondContact O-N 2.83Å
168	Y	91.3	Very high	87.4	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-37.9	177.3	-65.4	-2	0	0	0	114.1	C32 S33 R34 Y170 L171 L172 F192 D193 E194 A195 V201	C32-Y168 HydrophobicContact CB-CD1 3.8Å; C32-Y168 HydrophobicContact CB-CE1 4.11Å; C32-Y168 WeakPolarHBondContact O-CE1 3.32Å; S33-Y168 WeakPolarHBondContact O-CD1 3.37Å; S33-Y168 PolarHBondContact O-N 2.88Å; R34-Y168 HydrophobicContact CB-CE2 4.39Å; Y168-Y170 PolarHBondContact O-N 2.79Å; Y168-Y170 VanDerWaalsContact O-N 3.17Å; Y168-L171 PolarHBondContact O-N 3.44Å; Y168-L172 PolarHBondContact O-N 3.01Å; Y168-F192 AromaticContact CD1-CD1 3.88Å; Y168-F192 HydrophobicContact CD1-CD1 3.88Å; Y168-F192 HydrophobicContact CD1-CE1 4.36Å; Y168-F192 AromaticContact CE1-CD1 3.91Å; Y168-F192 HydrophobicContact CE1-CD1 3.91Å; Y168-F192 HydrophobicContact CG-CD1 4.41Å; Y168-D193 PolarHBondContact OH-O 3.18Å; Y168-E194 PolarHBondContact OH-O 2.93Å; Y168-A195 VanDerWaalsContact OH-CA 3.22Å; Y168-A195 WeakPolarHBondContact OH-CA 3.2Å; Y168-A195 PolarHBondContact OH-N 2.89Å; Y168-A195 VanDerWaalsContact OH-N 3.14Å; Y168-V201 HydrophobicContact CD2-CB 4.46Å; Y168-V201 HydrophobicContact CD2-CG1 4.39Å; Y168-V201 HydrophobicContact CD2-CG2 4.05Å
169	H	89.1	Confident	86.7	Confident	75 Å²	75	30.7 Å²	30.7	35%	0.347	15%	0.149	S	C	.	.	H	α-helix	trans	-59.8	-27.4	-177.9	-58.8	-69.2	0	0	0	113.2	S167 L171 D173 I176	S167-H169 PolarHBondContact O-N 3.21Å; H169-L171 PolarHBondContact O-N 3.15Å; H169-D173 WeakPolarHBondContact O-CB 3.49Å; H169-D173 PolarHBondContact O-N 2.82Å; H169-I176 HydrophobicContact CB-CD1 4.45Å
170	Y	88.6	Confident	86.4	Confident	27 Å²	27	26.8 Å²	26.8	11%	0.106	13%	0.131	C	C	.	.	H	α-helix	trans	-71.2	-16.4	178	-75.7	-91.7	0	0	0	113.8	L68 S69 A70 Y166 S167 Y168 I176 A177 V180 S181	L68-Y170 HydrophobicContact CD2-CD1 3.69Å; L68-Y170 HydrophobicContact CD2-CE1 3.62Å; L68-Y170 HydrophobicContact CD2-CG 4.39Å; L68-Y170 HydrophobicContact CG-CE1 4.23Å; S69-Y170 PolarHBondContact O-OH 2.95Å; A70-Y170 WeakPolarHBondContact CA-OH 3.44Å; A70-Y170 PolarHBondContact N-OH 2.9Å; Y166-Y170 HydrophobicContact CD2-CG 4.4Å; Y166-Y170 HydrophobicContact CG-CG 4.34Å; S167-Y170 PolarHBondContact O-N 2.83Å; Y168-Y170 PolarHBondContact O-N 2.79Å; Y168-Y170 VanDerWaalsContact O-N 3.17Å; Y170-I176 HydrophobicContact CD1-CG2 3.53Å; Y170-I176 HydrophobicContact CE1-CG2 3.97Å; Y170-I176 HydrophobicContact CG-CG2 4.09Å; Y170-A177 VanDerWaalsContact O-CA 3.32Å; Y170-A177 WeakPolarHBondContact O-CA 3.1Å; Y170-V180 HydrophobicContact CD1-CB 4.35Å; Y170-V180 HydrophobicContact CD1-CG1 4.3Å; Y170-V180 HydrophobicContact CD1-CG2 3.97Å; Y170-V180 HydrophobicContact CE1-CG2 4.33Å; Y170-S181 PolarHBondContact O-OG 2.9Å
171	L	88.4	Confident	85.8	Confident	9 Å²	9	20.3 Å²	20.3	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-112.3	-37.1	179.7	-168.3	60	0	0	0	112.7	Y166 Y168 H169 A177 I190 F192 V403 F407	Y166-L171 HydrophobicContact CE2-CB 4.04Å; Y168-L171 PolarHBondContact O-N 3.44Å; H169-L171 PolarHBondContact O-N 3.15Å; L171-A177 WeakPolarHBondContact O-CB 3.35Å; L171-I190 HydrophobicContact CD2-CD1 4.27Å; L171-I190 HydrophobicContact CD2-CG1 4.35Å; L171-I190 HydrophobicContact CD2-CG2 3.52Å; L171-F192 HydrophobicContact CD2-CE1 4.23Å; L171-F192 HydrophobicContact CD2-CE2 4.46Å; L171-F192 HydrophobicContact CD2-CZ 3.71Å; L171-V403 HydrophobicContact CD1-CG2 4.44Å; L171-V403 HydrophobicContact CD2-CG1 3.97Å; L171-V403 HydrophobicContact CD2-CG2 4.47Å; L171-V403 HydrophobicContact CG-CG1 4.31Å; L171-V403 HydrophobicContact CG-CG2 3.96Å; L171-F407 HydrophobicContact CD1-CE2 3.85Å; L171-F407 HydrophobicContact CD1-CZ 4.16Å
172	L	88.8	Confident	85	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-94.2	-27.9	-176	-61.4	178.3	0	0	0	113.8	Y168 P174 F192 I198 V201 I400 V403	Y168-L172 PolarHBondContact O-N 3.01Å; L172-P174 WeakPolarHBondContact O-CD 3.16Å; L172-F192 HydrophobicContact CD1-CE1 4.19Å; L172-F192 HydrophobicContact CD2-CE1 4.42Å; L172-F192 HydrophobicContact CD2-CZ 4.02Å; L172-F192 HydrophobicContact CG-CE1 4.23Å; L172-F192 HydrophobicContact CG-CZ 4.31Å; L172-I198 HydrophobicContact CD1-CG1 4.09Å; L172-V201 HydrophobicContact CD1-CB 4.46Å; L172-V201 HydrophobicContact CD1-CG1 3.97Å; L172-I400 HydrophobicContact CD2-CB 4.3Å; L172-I400 HydrophobicContact CD2-CD1 4.49Å; L172-I400 HydrophobicContact CD2-CG1 4.08Å; L172-V403 HydrophobicContact CD2-CG2 4.09Å
173	D	84.1	Confident	84.2	Confident	22 Å²	22	27.5 Å²	27.5	12%	0.118	14%	0.14	C	C	.	.	S	Bend	trans	-78.1	112.7	172.5	-170	-29.8	0	0	0	108.1	H169 K175 I176 A177 A205	H169-D173 WeakPolarHBondContact O-CB 3.49Å; H169-D173 PolarHBondContact O-N 2.82Å; D173-K175 PolarHBondContact O-N 2.82Å; D173-K175 VanDerWaalsContact O-N 3.17Å; D173-K175 WeakPolarHBondContact OD1-CB 3.37Å; D173-K175 WeakPolarHBondContact OD1-CG 3.13Å; D173-K175 PolarHBondContact OD1-N 3.01Å; D173-K175 IonicContact OD1-NZ 3.42Å; D173-K175 IonicContact OD2-NZ 2.63Å; D173-I176 HydrophobicContact CB-CB 4.37Å; D173-I176 HydrophobicContact CB-CD1 4.08Å; D173-I176 HydrophobicContact CB-CG1 4.14Å; D173-I176 PolarHBondContact O-N 2.82Å; D173-A177 VanDerWaalsContact O-CB 3.32Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 2.88Å; D173-A205 HydrophobicContact CB-CB 4.34Å
174	P	78.4	Confident	83.7	Confident	24 Å²	24	27.8 Å²	27.8	16%	0.156	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-29.5	-176.3	25.6	-36.9	0	0	0	114	L172 I176 E178 L206 V265	L172-P174 WeakPolarHBondContact O-CD 3.16Å; P174-I176 PolarHBondContact O-N 2.79Å; P174-E178 PolarHBondContact O-N 2.81Å; P174-L206 HydrophobicContact CG-CD2 3.92Å; P174-V265 HydrophobicContact CB-CB 4.3Å; P174-V265 HydrophobicContact CB-CG2 2.96Å; P174-V265 HydrophobicContact CG-CG2 3.23Å
175	K	76.3	Confident	83.1	Confident	27 Å²	27	29.1 Å²	29.1	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-32.1	178.8	-55.9	166.7	-159.2	130	0	111.2	D173 A205 P264	D173-K175 PolarHBondContact O-N 2.82Å; D173-K175 VanDerWaalsContact O-N 3.17Å; D173-K175 WeakPolarHBondContact OD1-CB 3.37Å; D173-K175 WeakPolarHBondContact OD1-CG 3.13Å; D173-K175 PolarHBondContact OD1-N 3.01Å; D173-K175 IonicContact OD1-NZ 3.42Å; D173-K175 IonicContact OD2-NZ 2.63Å; K175-A205 PolarHBondContact NZ-O 2.85Å; K175-P264 HydrophobicContact CG-CB 4.03Å
176	I	80.8	Confident	82.6	Confident	42 Å²	42	38.5 Å²	38.5	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-95.4	-39.4	-177	-52.4	177.8	0	0	0	110.4	H169 Y170 D173 P174 E178 L179 V180	H169-I176 HydrophobicContact CB-CD1 4.45Å; Y170-I176 HydrophobicContact CD1-CG2 3.53Å; Y170-I176 HydrophobicContact CE1-CG2 3.97Å; Y170-I176 HydrophobicContact CG-CG2 4.09Å; D173-I176 HydrophobicContact CB-CB 4.37Å; D173-I176 HydrophobicContact CB-CD1 4.08Å; D173-I176 HydrophobicContact CB-CG1 4.14Å; D173-I176 PolarHBondContact O-N 2.82Å; P174-I176 PolarHBondContact O-N 2.79Å; I176-E178 VanDerWaalsContact C-N 3.3Å; I176-E178 PolarHBondContact O-N 3.5Å; I176-L179 WeakPolarHBondContact O-CB 3.22Å; I176-L179 PolarHBondContact O-N 2.89Å; I176-V180 HydrophobicContact CG2-CG2 4.41Å; I176-V180 PolarHBondContact O-N 3.3Å; I176-V180 VanDerWaalsContact O-N 3.11Å
177	A	81.1	Confident	82.4	Confident	18 Å²	18	42.6 Å²	42.6	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-36	-178.7	0	0	0	0	0	112.6	Y170 L171 D173 L179 S181 K182	Y170-A177 VanDerWaalsContact O-CA 3.32Å; Y170-A177 WeakPolarHBondContact O-CA 3.1Å; L171-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 VanDerWaalsContact O-CB 3.32Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 2.88Å; A177-L179 PolarHBondContact O-N 3.42Å; A177-S181 CarbonylContact O-C 3.58Å; A177-S181 WeakPolarHBondContact O-CA 3.17Å; A177-S181 WeakPolarHBondContact O-CB 3.48Å; A177-S181 PolarHBondContact O-N 3.13Å; A177-K182 PolarHBondContact O-N 3.23Å
178	E	74.3	Confident	82.4	Confident	54 Å²	54	41.7 Å²	41.7	25%	0.252	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-29.4	174.2	-164.6	-173.8	169.2	0	0	112.3	P174 I176 K182 R255	P174-E178 PolarHBondContact O-N 2.81Å; I176-E178 VanDerWaalsContact C-N 3.3Å; I176-E178 PolarHBondContact O-N 3.5Å; E178-K182 HydrophobicContact CG-CD 4.33Å; E178-K182 WeakPolarHBondContact O-CB 3.37Å; E178-R255 IonicContact OE1-NH1 2.81Å
179	L	73.5	Confident	82.5	Confident	44 Å²	44	42.5 Å²	42.5	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-85.7	-34.6	-176.7	-65.7	173.3	0	0	0	113.5	R155 I176 A177	R155-L179 PolarHBondContact NH2-O 2.92Å; I176-L179 WeakPolarHBondContact O-CB 3.22Å; I176-L179 PolarHBondContact O-N 2.89Å; A177-L179 PolarHBondContact O-N 3.42Å
180	V	78	Confident	82.7	Confident	13 Å²	13	39 Å²	39	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-110.7	-44.2	-171	179	0	0	0	0	111.6	L68 I158 Y170 I176	L68-V180 HydrophobicContact CD2-CG1 3.73Å; I158-V180 HydrophobicContact CD1-CG1 3.76Å; Y170-V180 HydrophobicContact CD1-CB 4.35Å; Y170-V180 HydrophobicContact CD1-CG1 4.3Å; Y170-V180 HydrophobicContact CD1-CG2 3.97Å; Y170-V180 HydrophobicContact CE1-CG2 4.33Å; I176-V180 HydrophobicContact CG2-CG2 4.41Å; I176-V180 PolarHBondContact O-N 3.3Å; I176-V180 VanDerWaalsContact O-N 3.11Å
181	S	74	Confident	83	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.014	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-8.2	-169.6	-60.4	0	0	0	0	112.3	Y166 Y170 A177 D183 L184 R406	Y166-S181 PolarHBondContact OH-OG 3.46Å; Y170-S181 PolarHBondContact O-OG 2.9Å; A177-S181 CarbonylContact O-C 3.58Å; A177-S181 WeakPolarHBondContact O-CA 3.17Å; A177-S181 WeakPolarHBondContact O-CB 3.48Å; A177-S181 PolarHBondContact O-N 3.13Å; S181-D183 VanDerWaalsContact C-N 3.28Å; S181-D183 PolarHBondContact O-N 2.85Å; S181-L184 PolarHBondContact O-N 3.31Å; S181-R406 PolarHBondContact O-NH1 2.87Å; S181-R406 PolarHBondContact O-NH2 3.13Å
182	K	74.6	Confident	83.3	Confident	88 Å²	88	37.2 Å²	37.2	38%	0.383	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28	-178.1	-174.2	177.7	175.4	-171.7	0	114.2	A177 E178 R406	A177-K182 PolarHBondContact O-N 3.23Å; E178-K182 HydrophobicContact CG-CD 4.33Å; E178-K182 WeakPolarHBondContact O-CB 3.37Å; K182-R406 PolarHBondContact O-NH2 2.61Å
183	D	75.6	Confident	83.4	Confident	109 Å²	109	37.7 Å²	37.7	58%	0.583	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3	-178.1	-54.5	-37.3	0	0	0	113.5	S181	S181-D183 VanDerWaalsContact C-N 3.28Å; S181-D183 PolarHBondContact O-N 2.85Å
184	L	83.9	Confident	83.6	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.185	C	C	.	.			trans	-71.2	135.6	176.3	-59.5	174.7	0	0	0	110.9	K28 V30 I158 S181 R406 F407	K28-L184 HydrophobicContact CD-CD2 3.72Å; V30-L184 HydrophobicContact CG2-CD1 4.09Å; I158-L184 HydrophobicContact CG2-CD2 3.97Å; S181-L184 PolarHBondContact O-N 3.31Å; L184-R406 PolarHBondContact O-NH2 3.04Å; L184-F407 HydrophobicContact CB-CE1 3.96Å; L184-F407 HydrophobicContact CB-CZ 4.31Å; L184-F407 HydrophobicContact CD1-CE1 4.42Å; L184-F407 HydrophobicContact CD1-CZ 4.19Å
185	S	82.5	Confident	84.2	Confident	28 Å²	28	37 Å²	37	20%	0.196	18%	0.177	C	C	.	.			trans	-70.5	155.4	179.8	63.8	0	0	0	0	111.9	E27 H187 S188	E27-S185 WeakPolarHBondContact OE2-CB 3.32Å; E27-S185 PolarHBondContact OE2-OG 3.35Å; S185-H187 PolarHBondContact O-N 2.81Å; S185-S188 WeakPolarHBondContact O-CB 3.39Å; S185-S188 PolarHBondContact O-N 2.82Å; S185-S188 PolarHBondContact O-OG 2.92Å; S185-S188 PolarHBondContact OG-OG 3.33Å
186	R	85.8	Confident	84.7	Confident	197 Å²	197	35.9 Å²	35.9	74%	0.743	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.2	176.4	-64.8	-175.9	179.6	178.3	-1.8	112.2	S188 Q408	R186-S188 PolarHBondContact O-N 3.01Å; R186-Q408 PolarHBondContact O-N 3.13Å; R186-Q408 VanDerWaalsContact O-N 3.17Å
187	H	89.5	Confident	85	Confident	85 Å²	85	34.1 Å²	34.1	39%	0.394	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	33	174.3	-50.5	119.2	0	0	0	113	E27 S185	E27-H187 HydrophobicContact CB-CB 4.44Å; E27-H187 HydrophobicContact CG-CB 4.1Å; E27-H187 PolarHBondContact N-O 3.46Å; E27-H187 IonicContact OE1-CG 2.83Å; E27-H187 IonicContact OE1-ND1 3.77Å; E27-H187 PolarHBondContact OE1-ND1 3.38Å; S185-H187 PolarHBondContact O-N 2.81Å
188	S	91.1	Very high	85.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.2	174.2	-55.6	0	0	0	0	110.1	K28 S185 R186	K28-S188 CarbonylContact O-C 3.55Å; K28-S188 VanDerWaalsContact O-CA 3.23Å; K28-S188 WeakPolarHBondContact O-CA 3.27Å; S185-S188 WeakPolarHBondContact O-CB 3.39Å; S185-S188 PolarHBondContact O-N 2.82Å; S185-S188 PolarHBondContact O-OG 2.92Å; S185-S188 PolarHBondContact OG-OG 3.33Å; R186-S188 PolarHBondContact O-N 3.01Å
189	V	93.3	Very high	86.4	Confident	20 Å²	20	30.7 Å²	30.7	12%	0.121	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.2	170.1	168.8	0	0	0	0	108.8	L26 K28 V30 V191 L411	L26-V189 HydrophobicContact CD1-CB 3.83Å; L26-V189 HydrophobicContact CD1-CG2 3.34Å; L26-V189 HydrophobicContact CD2-CG2 4.37Å; L26-V189 HydrophobicContact CG-CG2 4.47Å; K28-V189 PolarHBondContact O-N 2.75Å; V30-V189 PolarHBondContact N-O 3.14Å; V189-V191 HydrophobicContact CG1-CG2 4.24Å; V189-L411 HydrophobicContact CG1-CD1 4.26Å
190	I	94.6	Very high	87.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.7	175.6	-51.5	-54.8	0	0	0	109.1	V30 L171 F192 V403 F407 S409 V410 L411	V30-I190 HydrophobicContact CB-CD1 3.5Å; V30-I190 HydrophobicContact CG1-CD1 3.92Å; V30-I190 HydrophobicContact CG2-CD1 3.76Å; V30-I190 WeakPolarHBondContact O-CA 3.28Å; L171-I190 HydrophobicContact CD2-CD1 4.27Å; L171-I190 HydrophobicContact CD2-CG1 4.35Å; L171-I190 HydrophobicContact CD2-CG2 3.52Å; I190-F192 HydrophobicContact CG2-CD2 4.09Å; I190-F192 HydrophobicContact CG2-CE2 3.74Å; I190-F192 HydrophobicContact CG2-CZ 4.09Å; I190-V403 HydrophobicContact CG1-CG1 4.46Å; I190-F407 HydrophobicContact CD1-CD1 3.82Å; I190-F407 HydrophobicContact CD1-CD2 3.88Å; I190-F407 HydrophobicContact CD1-CE1 3.88Å; I190-F407 HydrophobicContact CD1-CE2 3.96Å; I190-F407 HydrophobicContact CD1-CG 3.81Å; I190-F407 HydrophobicContact CD1-CZ 3.95Å; I190-F407 HydrophobicContact CG1-CB 3.85Å; I190-F407 HydrophobicContact CG1-CD1 4.04Å; I190-F407 HydrophobicContact CG1-CD2 3.54Å; I190-F407 HydrophobicContact CG1-CE2 4.08Å; I190-F407 HydrophobicContact CG1-CG 3.52Å; I190-S409 PolarHBondContact N-O 3.49Å; I190-V410 HydrophobicContact CB-CG1 4.24Å; I190-V410 HydrophobicContact CB-CG2 4.17Å; I190-V410 HydrophobicContact CG1-CG2 4.33Å; I190-V410 HydrophobicContact CG2-CG1 4.36Å; I190-V410 CarbonylContact O-C 3.54Å; I190-V410 WeakPolarHBondContact O-CA 3.46Å; I190-L411 PolarHBondContact O-N 3.3Å
191	V	94.8	Very high	87.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.4	175.1	-179.6	0	0	0	0	108.7	L11 L29 V30 Y31 C32 V189 L411	L11-V191 HydrophobicContact CD1-CG1 3.54Å; L11-V191 HydrophobicContact CD1-CG2 4.4Å; L11-V191 HydrophobicContact CD2-CB 4.22Å; L11-V191 HydrophobicContact CD2-CG1 3.81Å; L11-V191 HydrophobicContact CD2-CG2 3.5Å; L11-V191 VanDerWaalsContact CD2-CG2 3.5Å; L11-V191 HydrophobicContact CG-CG1 4.35Å; L29-V191 HydrophobicContact CD1-CB 4.44Å; L29-V191 HydrophobicContact CD1-CG2 3.52Å; V30-V191 PolarHBondContact O-N 3.5Å; Y31-V191 HydrophobicContact CD2-CB 4.03Å; Y31-V191 HydrophobicContact CD2-CG1 3.99Å; Y31-V191 HydrophobicContact CE2-CB 4.36Å; Y31-V191 HydrophobicContact CE2-CG1 3.79Å; C32-V191 WeakPolarHBondContact CA-O 3.29Å; C32-V191 VanDerWaalsContact CB-O 3.28Å; C32-V191 WeakPolarHBondContact CB-O 3.5Å; C32-V191 PolarHBondContact N-O 3.13Å; V189-V191 HydrophobicContact CG1-CG2 4.24Å; V191-L411 HydrophobicContact CG2-CB 4.41Å; V191-L411 HydrophobicContact CG2-CD1 4.24Å
192	F	94.5	Very high	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.9	165.9	-67.6	-77.5	0	0	0	109.1	C32 Y168 L171 L172 I190 A195 I198 V403 V410 L411 I412 T413	C32-F192 HydrophobicContact CB-CD1 3.57Å; C32-F192 HydrophobicContact CB-CE1 3.89Å; C32-F192 HydrophobicContact CB-CG 4.34Å; Y168-F192 AromaticContact CD1-CD1 3.88Å; Y168-F192 HydrophobicContact CD1-CD1 3.88Å; Y168-F192 HydrophobicContact CD1-CE1 4.36Å; Y168-F192 AromaticContact CE1-CD1 3.91Å; Y168-F192 HydrophobicContact CE1-CD1 3.91Å; Y168-F192 HydrophobicContact CG-CD1 4.41Å; L171-F192 HydrophobicContact CD2-CE1 4.23Å; L171-F192 HydrophobicContact CD2-CE2 4.46Å; L171-F192 HydrophobicContact CD2-CZ 3.71Å; L172-F192 HydrophobicContact CD1-CE1 4.19Å; L172-F192 HydrophobicContact CD2-CE1 4.42Å; L172-F192 HydrophobicContact CD2-CZ 4.02Å; L172-F192 HydrophobicContact CG-CE1 4.23Å; L172-F192 HydrophobicContact CG-CZ 4.31Å; I190-F192 HydrophobicContact CG2-CD2 4.09Å; I190-F192 HydrophobicContact CG2-CE2 3.74Å; I190-F192 HydrophobicContact CG2-CZ 4.09Å; F192-A195 HydrophobicContact CB-CB 3.82Å; F192-I198 HydrophobicContact CD1-CD1 4.32Å; F192-I198 HydrophobicContact CD2-CD1 4.19Å; F192-I198 HydrophobicContact CE2-CD1 4.4Å; F192-I198 HydrophobicContact CG-CD1 4.14Å; F192-V403 HydrophobicContact CE2-CG1 4.37Å; F192-V403 HydrophobicContact CZ-CG1 4.47Å; F192-V410 HydrophobicContact CD2-CG1 3.77Å; F192-V410 HydrophobicContact CE2-CG1 3.71Å; F192-L411 PolarHBondContact N-O 3.08Å; F192-I412 HydrophobicContact CD2-CG1 4.43Å; F192-T413 PolarHBondContact O-N 2.76Å; F192-T413 PolarHBondContact O-OG1 2.74Å
193	D	91.6	Very high	89.5	Confident	11 Å²	11	26.7 Å²	26.7	6%	0.059	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.4	174.8	-175.3	31.8	0	0	0	111.4	Y31 C32 Y168 A195	Y31-D193 HydrophobicContact CE1-CB 3.54Å; Y31-D193 VanDerWaalsContact OH-CB 3.28Å; Y31-D193 WeakPolarHBondContact OH-CB 3.25Å; Y31-D193 PolarHBondContact OH-OD2 3.14Å; Y31-D193 VanDerWaalsContact OH-OD2 3.07Å; C32-D193 PolarHBondContact O-N 3.29Å; Y168-D193 PolarHBondContact OH-O 3.18Å; D193-A195 VanDerWaalsContact C-N 3.33Å
194	E	87.9	Confident	90.2	Very high	32 Å²	32	27.7 Å²	27.7	15%	0.15	13%	0.128	C	C	.	.	S	Bend	trans	56	39.4	-169	-66.9	-56.9	151.3	0	0	114.9	K7 Y168 H196 T413 S414 G415	K7-E194 IonicContact NZ-OE1 3.74Å; K7-E194 PolarHBondContact NZ-OE1 3.42Å; Y168-E194 PolarHBondContact OH-O 2.93Å; E194-H196 PolarHBondContact O-CE1 2.97Å; E194-H196 PolarHBondContact O-N 3.2Å; E194-H196 PolarHBondContact O-ND1 3.32Å; E194-H196 IonicContact OE2-ND1 3.95Å; E194-T413 PolarHBondContact N-O 2.67Å; E194-S414 PolarHBondContact OE2-OG 3.4Å; E194-G415 PolarHBondContact OE1-N 2.87Å
195	A	90.2	Very high	90.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-72.5	23.5	-173.4	0	0	0	0	0	116.6	Y168 F192 D193 N197 I198 I412 T413	Y168-A195 VanDerWaalsContact OH-CA 3.22Å; Y168-A195 WeakPolarHBondContact OH-CA 3.2Å; Y168-A195 PolarHBondContact OH-N 2.89Å; Y168-A195 VanDerWaalsContact OH-N 3.14Å; F192-A195 HydrophobicContact CB-CB 3.82Å; D193-A195 VanDerWaalsContact C-N 3.33Å; A195-N197 VanDerWaalsContact C-N 3.31Å; A195-N197 PolarHBondContact O-N 3.46Å; A195-I198 WeakPolarHBondContact O-CG2 3.5Å; A195-I198 PolarHBondContact O-N 3.18Å; A195-I412 HydrophobicContact CB-CG2 3.54Å; A195-T413 PolarHBondContact N-O 2.84Å
196	H	87.8	Confident	90.6	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.2	-33.3	-179.5	56.8	-86.4	0	0	0	112.1	E194 L417 Y423 R612 Q616	E194-H196 PolarHBondContact O-CE1 2.97Å; E194-H196 PolarHBondContact O-N 3.2Å; E194-H196 PolarHBondContact O-ND1 3.32Å; E194-H196 IonicContact OE2-ND1 3.95Å; H196-L417 HydrophobicContact CB-CD2 4.18Å; H196-Y423 PolarHBondContact O-OH 3.3Å; H196-R612 HydrophobicContact CB-CG 4.18Å; H196-R612 WeakPolarHBondContact O-CD 3.31Å; H196-R612 PolarHBondContact O-NH1 3.45Å; H196-Q616 PolarHBondContact CE1-NE2 3.37Å; H196-Q616 VanDerWaalsContact CE1-NE2 3.3Å; H196-Q616 PolarHBondContact NE2-NE2 2.93Å; H196-Q616 PolarHBondContact NE2-OE1 3.14Å
197	N	87	Confident	90.9	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-101.9	22.6	-178.9	-75.7	-19.1	0	0	0	114.1	R34 A195 D199 N200 V201 R612	R34-N197 PolarHBondContact NH1-ND2 3.08Å; A195-N197 VanDerWaalsContact C-N 3.31Å; A195-N197 PolarHBondContact O-N 3.46Å; N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 3.05Å; N197-N200 PolarHBondContact O-N 3.35Å; N197-N200 VanDerWaalsContact O-N 3.16Å; N197-V201 PolarHBondContact O-N 3.36Å; N197-V201 VanDerWaalsContact O-N 3.16Å; N197-R612 PolarHBondContact OD1-NE 2.99Å
198	I	91.6	Very high	91	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-36.4	-176.3	-165.8	167.3	0	0	0	112.8	L172 F192 A195 N200 V201 C202 I400 Y423 L427	L172-I198 HydrophobicContact CD1-CG1 4.09Å; F192-I198 HydrophobicContact CD1-CD1 4.32Å; F192-I198 HydrophobicContact CD2-CD1 4.19Å; F192-I198 HydrophobicContact CE2-CD1 4.4Å; F192-I198 HydrophobicContact CG-CD1 4.14Å; A195-I198 WeakPolarHBondContact O-CG2 3.5Å; A195-I198 PolarHBondContact O-N 3.18Å; I198-N200 PolarHBondContact O-N 2.84Å; I198-V201 PolarHBondContact O-N 3.09Å; I198-C202 PolarHBondContact O-N 3.1Å; I198-C202 PolarHBondContact O-SG 3.41Å; I198-I400 HydrophobicContact CD1-CD1 3.56Å; I198-I400 HydrophobicContact CG1-CD1 4.24Å; I198-Y423 HydrophobicContact CG2-CD1 4.46Å; I198-L427 HydrophobicContact CG2-CD1 3.79Å; I198-L427 HydrophobicContact CG2-CD2 4.45Å
199	D	92.3	Very high	91.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-44	175.8	63.3	-39	0	0	0	112.1	N197 C202 I203 P396 R590 R612	N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 3.05Å; D199-C202 PolarHBondContact O-N 3.24Å; D199-I203 VanDerWaalsContact O-CG1 3.31Å; D199-I203 WeakPolarHBondContact O-CG1 3.44Å; D199-I203 PolarHBondContact O-N 3.28Å; D199-P396 HydrophobicContact CB-CB 4.14Å; D199-P396 HydrophobicContact CB-CG 4.19Å; D199-R590 IonicContact OD2-CZ 2.61Å; D199-R590 IonicContact OD2-NH1 3.65Å; D199-R590 IonicContact OD2-NH2 3.04Å; D199-R590 PolarHBondContact OD2-NH2 3.38Å; D199-R612 IonicContact OD1-CZ 2.68Å; D199-R612 IonicContact OD1-NH1 3.11Å; D199-R612 PolarHBondContact OD1-NH1 3.12Å; D199-R612 IonicContact OD1-NH2 3.27Å; D199-R612 IonicContact OD2-CZ 3.23Å; D199-R612 IonicContact OD2-NH1 3.59Å; D199-R612 PolarHBondContact OD2-NH1 3.43Å; D199-R612 IonicContact OD2-NH2 3.84Å
200	N	90.9	Very high	91.1	Very high	39 Å²	39	16.7 Å²	16.7	21%	0.209	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-39.4	178.7	-65.3	-30	0	0	0	111.1	N197 I198 I203 E204 R590 R612	N197-N200 PolarHBondContact O-N 3.35Å; N197-N200 VanDerWaalsContact O-N 3.16Å; I198-N200 PolarHBondContact O-N 2.84Å; N200-I203 PolarHBondContact O-N 3.4Å; N200-E204 WeakPolarHBondContact O-CB 3.48Å; N200-E204 VanDerWaalsContact O-CG 3.31Å; N200-E204 WeakPolarHBondContact O-CG 3.33Å; N200-E204 PolarHBondContact O-N 2.98Å; N200-R590 PolarHBondContact OD1-NH1 2.9Å; N200-R612 PolarHBondContact ND2-NH2 3.34Å
201	V	91.3	Very high	91	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-40.4	176.9	177.1	0	0	0	0	111.7	Y168 L172 N197 I198 E204 A205	Y168-V201 HydrophobicContact CD2-CB 4.46Å; Y168-V201 HydrophobicContact CD2-CG1 4.39Å; Y168-V201 HydrophobicContact CD2-CG2 4.05Å; L172-V201 HydrophobicContact CD1-CB 4.46Å; L172-V201 HydrophobicContact CD1-CG1 3.97Å; N197-V201 PolarHBondContact O-N 3.36Å; N197-V201 VanDerWaalsContact O-N 3.16Å; I198-V201 PolarHBondContact O-N 3.09Å; V201-E204 PolarHBondContact O-N 2.97Å; V201-A205 WeakPolarHBondContact O-CB 3.33Å; V201-A205 PolarHBondContact O-N 3.35Å
202	C	92	Very high	90.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-44.5	173.2	-71.8	0	0	0	0	112.1	I198 D199 A205 P396 A399	I198-C202 PolarHBondContact O-N 3.1Å; I198-C202 PolarHBondContact O-SG 3.41Å; D199-C202 PolarHBondContact O-N 3.24Å; C202-A205 PolarHBondContact O-N 3.34Å; C202-P396 HydrophobicContact CB-CB 3.71Å; C202-A399 HydrophobicContact CB-CB 3.75Å
203	I	92.2	Very high	90.5	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-45.7	179.1	-72.4	165.2	0	0	0	110.9	D199 N200 A205 L206 T207 C393 P396 R590	D199-I203 VanDerWaalsContact O-CG1 3.31Å; D199-I203 WeakPolarHBondContact O-CG1 3.44Å; D199-I203 PolarHBondContact O-N 3.28Å; N200-I203 PolarHBondContact O-N 3.4Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å; I203-L206 PolarHBondContact O-N 2.92Å; I203-T207 WeakPolarHBondContact O-CB 3.44Å; I203-T207 PolarHBondContact O-N 3.18Å; I203-T207 PolarHBondContact O-OG1 3.18Å; I203-C393 VanDerWaalsContact CG2-O 3.28Å; I203-C393 WeakPolarHBondContact CG2-O 3.42Å; I203-P396 HydrophobicContact CG1-CB 4.38Å; I203-R590 VanDerWaalsContact CD1-NH1 3.3Å
204	E	89.6	Confident	90.5	Very high	129 Å²	129	32.2 Å²	32.2	60%	0.603	16%	0.163	S	C	*	.	H	α-helix	trans	-63.1	-37.3	179.3	-76.1	178.1	-178.1	0	0	112.5	N200 V201 L206 T207	N200-E204 WeakPolarHBondContact O-CB 3.48Å; N200-E204 VanDerWaalsContact O-CG 3.31Å; N200-E204 WeakPolarHBondContact O-CG 3.33Å; N200-E204 PolarHBondContact O-N 2.98Å; V201-E204 PolarHBondContact O-N 2.97Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.19Å; E204-T207 PolarHBondContact O-N 2.97Å
205	A	87.2	Confident	90.6	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-35.8	179.5	0	0	0	0	0	113.2	D173 K175 V201 C202 I203	D173-A205 HydrophobicContact CB-CB 4.34Å; K175-A205 PolarHBondContact NZ-O 2.85Å; V201-A205 WeakPolarHBondContact O-CB 3.33Å; V201-A205 PolarHBondContact O-N 3.35Å; C202-A205 PolarHBondContact O-N 3.34Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å
206	L	88.6	Confident	90.7	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-101.8	-10.5	-176.6	-62.7	176.8	0	0	0	113.8	P174 I203 E204 V265 F370 C393 I398 A399	P174-L206 HydrophobicContact CG-CD2 3.92Å; I203-L206 PolarHBondContact O-N 2.92Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.19Å; L206-V265 HydrophobicContact CD2-CG2 4.5Å; L206-F370 HydrophobicContact CB-CE1 3.98Å; L206-F370 HydrophobicContact CB-CZ 4.23Å; L206-F370 HydrophobicContact CD1-CZ 4.04Å; L206-C393 HydrophobicContact CB-CB 3.88Å; L206-I398 HydrophobicContact CD1-CB 4.23Å; L206-I398 HydrophobicContact CD1-CG2 3.97Å; L206-A399 HydrophobicContact CD1-CB 3.9Å; L206-A399 HydrophobicContact CG-CB 4.38Å
207	T	91.7	Very high	90.9	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.209	20%	0.198	C	C	.	.			trans	-82.8	135.8	179.8	-65.5	0	0	0	0	111.3	I203 E204 T390 F391 C393	I203-T207 WeakPolarHBondContact O-CB 3.44Å; I203-T207 PolarHBondContact O-N 3.18Å; I203-T207 PolarHBondContact O-OG1 3.18Å; E204-T207 PolarHBondContact O-N 2.97Å; T207-T390 HydrophobicContact CG2-CG2 3.86Å; T207-F391 CarbonylContact C-O 3.52Å; T207-F391 VanDerWaalsContact CA-O 3.25Å; T207-F391 WeakPolarHBondContact CA-O 3.44Å; T207-F391 WeakPolarHBondContact CG2-O 3.44Å; T207-C393 PolarHBondContact OG1-N 3.06Å; T207-C393 VanDerWaalsContact OG1-N 3.12Å
208	V	91.8	Very high	91.2	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.7	177.8	177.1	0	0	0	0	110.5	L355 F359 L362 F391	V208-L355 HydrophobicContact CG1-CD1 3.69Å; V208-L355 HydrophobicContact CG1-CG 4.09Å; V208-F359 HydrophobicContact CG1-CB 4.02Å; V208-F359 HydrophobicContact CG1-CD2 4.43Å; V208-L362 HydrophobicContact CG2-CD1 3.53Å; V208-F391 PolarHBondContact N-O 3.1Å; V208-F391 PolarHBondContact O-N 3.05Å
209	T	92.4	Very high	91.2	Very high	58 Å²	58	44.7 Å²	44.7	36%	0.356	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.3	179	-56.4	0	0	0	0	111.1	V388 L389 T390	T209-V388 HydrophobicContact CG2-CG1 3.37Å; T209-L389 CarbonylContact C-O 3.6Å; T209-L389 WeakPolarHBondContact CA-O 3.33Å; T209-T390 PolarHBondContact OG1-OG1 3.13Å
210	L	93.1	Very high	91.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.9	175.6	-61.2	177	0	0	0	109.8	T214 V296 L355 L356 F359 L389	L210-T214 HydrophobicContact CD2-CG2 4.44Å; L210-V296 HydrophobicContact CD1-CG1 4.13Å; L210-L355 HydrophobicContact CD2-CD2 3.97Å; L210-L355 HydrophobicContact CD2-CG 3.87Å; L210-L356 HydrophobicContact CD1-CD1 3.95Å; L210-F359 HydrophobicContact CD1-CB 4.12Å; L210-F359 HydrophobicContact CD1-CD1 3.85Å; L210-F359 HydrophobicContact CD1-CD2 3.96Å; L210-F359 HydrophobicContact CD1-CE1 4.25Å; L210-F359 HydrophobicContact CD1-CE2 4.31Å; L210-F359 HydrophobicContact CD1-CG 3.71Å; L210-F359 HydrophobicContact CD1-CZ 4.48Å; L210-L389 HydrophobicContact CB-CB 4.37Å; L210-L389 HydrophobicContact CD1-CD2 4.43Å; L210-L389 PolarHBondContact N-O 3.43Å; L210-L389 PolarHBondContact O-N 3.34Å
211	K	91.7	Very high	91.2	Very high	110 Å²	110	49.7 Å²	49.7	48%	0.478	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	159.2	175.4	-60.9	-173.7	178.1	-173.7	0	110	N213 T214 L215 V388	K211-N213 VanDerWaalsContact C-N 3.31Å; K211-N213 PolarHBondContact O-N 3.19Å; K211-T214 WeakPolarHBondContact O-CA 3.29Å; K211-T214 VanDerWaalsContact O-CB 3.25Å; K211-T214 WeakPolarHBondContact O-CB 3.3Å; K211-T214 PolarHBondContact O-N 3.17Å; K211-L215 PolarHBondContact O-N 3.32Å; K211-V388 HydrophobicContact CG-CG2 4.39Å
212	K	89.5	Confident	91.2	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-50.1	-49.7	174.9	-169.3	-176.7	172.8	-167.8	0	112.8	T214 L215 E216 P387	K212-T214 PolarHBondContact O-N 2.98Å; K212-L215 PolarHBondContact O-N 2.84Å; K212-E216 VanDerWaalsContact CE-OE1 3.24Å; K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 PolarHBondContact O-N 2.93Å; K212-E216 VanDerWaalsContact O-N 3.09Å; K212-P387 HydrophobicContact CB-CG 4.08Å; K212-P387 HydrophobicContact CD-CG 4.24Å; K212-P387 HydrophobicContact CG-CG 4.44Å; K212-P387 PolarHBondContact N-O 3.4Å
213	N	89.5	Confident	91.2	Very high	103 Å²	103	52.6 Å²	52.6	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-61.7	-31.2	179.9	-63	12.8	0	0	0	112.4	K211 K217	K211-N213 VanDerWaalsContact C-N 3.31Å; K211-N213 PolarHBondContact O-N 3.19Å; N213-K217 WeakPolarHBondContact O-CG 3.32Å; N213-K217 PolarHBondContact O-N 3.33Å; N213-K217 VanDerWaalsContact O-N 3.15Å
214	T	91.8	Very high	91.1	Very high	27 Å²	27	53.9 Å²	53.9	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-44.4	175	-52.5	0	0	0	0	110.2	L210 K211 K212 K217 C218 P352 L355	L210-T214 HydrophobicContact CD2-CG2 4.44Å; K211-T214 WeakPolarHBondContact O-CA 3.29Å; K211-T214 VanDerWaalsContact O-CB 3.25Å; K211-T214 WeakPolarHBondContact O-CB 3.3Å; K211-T214 PolarHBondContact O-N 3.17Å; K212-T214 PolarHBondContact O-N 2.98Å; T214-K217 PolarHBondContact O-N 2.96Å; T214-C218 PolarHBondContact O-N 3.18Å; T214-C218 PolarHBondContact O-SG 2.72Å; T214-P352 HydrophobicContact CG2-CB 3.82Å; T214-L355 HydrophobicContact CG2-CD2 4.18Å
215	L	91.5	Very high	91	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-33.3	179.8	-64.5	-176.4	0	0	0	113.4	K211 K212 C218 H219 V296 K297 M300 L356	K211-L215 PolarHBondContact O-N 3.32Å; K212-L215 PolarHBondContact O-N 2.84Å; L215-C218 WeakPolarHBondContact O-CB 3.24Å; L215-C218 PolarHBondContact O-N 2.85Å; L215-H219 PolarHBondContact O-N 2.85Å; L215-H219 VanDerWaalsContact O-N 3.14Å; L215-V296 HydrophobicContact CD1-CB 4.45Å; L215-V296 HydrophobicContact CD1-CG1 3.96Å; L215-V296 HydrophobicContact CD2-CG1 4.2Å; L215-K297 HydrophobicContact CD1-CB 4.11Å; L215-M300 HydrophobicContact CD1-CG 4.47Å; L215-M300 HydrophobicContact CD1-SD 3.31Å; L215-M300 WeakPolarHBondContact CD1-SD 3.29Å; L215-M300 HydrophobicContact CG-SD 4.2Å; L215-L356 HydrophobicContact CD2-CD1 4.17Å
216	E	91	Very high	91.1	Very high	73 Å²	73	49.5 Å²	49.5	34%	0.341	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-47.7	173.7	-71.6	172	175	0	0	110.5	K212 C218 H219 E220	K212-E216 VanDerWaalsContact CE-OE1 3.24Å; K212-E216 WeakPolarHBondContact CE-OE1 3.46Å; K212-E216 PolarHBondContact O-N 2.93Å; K212-E216 VanDerWaalsContact O-N 3.09Å; E216-C218 VanDerWaalsContact C-N 3.32Å; E216-C218 PolarHBondContact O-N 3.1Å; E216-H219 WeakPolarHBondContact O-CB 3.41Å; E216-H219 PolarHBondContact O-N 3.34Å; E216-E220 PolarHBondContact O-N 2.91Å
217	K	92.4	Very high	91.1	Very high	118 Å²	118	55.7 Å²	55.7	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-35	172.8	-67.3	-175.9	178	-163.5	0	113.1	N213 T214 H219 E220 N221 P352	N213-K217 WeakPolarHBondContact O-CG 3.32Å; N213-K217 PolarHBondContact O-N 3.33Å; N213-K217 VanDerWaalsContact O-N 3.15Å; T214-K217 PolarHBondContact O-N 2.96Å; K217-H219 PolarHBondContact O-N 3.39Å; K217-E220 PolarHBondContact O-N 3.17Å; K217-N221 WeakPolarHBondContact O-CB 3.41Å; K217-N221 PolarHBondContact O-N 3.49Å; K217-N221 PolarHBondContact O-OD1 3.32Å; K217-P352 HydrophobicContact CB-CB 4.13Å; K217-P352 HydrophobicContact CB-CG 3.86Å; K217-P352 HydrophobicContact CD-CG 4.34Å
218	C	92.8	Very high	90.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-37.6	172.9	-68.4	0	0	0	0	111.7	T214 L215 E216 L222 P352 L356	T214-C218 PolarHBondContact O-N 3.18Å; T214-C218 PolarHBondContact O-SG 2.72Å; L215-C218 WeakPolarHBondContact O-CB 3.24Å; L215-C218 PolarHBondContact O-N 2.85Å; E216-C218 VanDerWaalsContact C-N 3.32Å; E216-C218 PolarHBondContact O-N 3.1Å; C218-L222 WeakPolarHBondContact O-CB 3.32Å; C218-L222 WeakPolarHBondContact O-CG 3.27Å; C218-L222 PolarHBondContact O-N 3.31Å; C218-P352 VanDerWaalsContact SG-CB 3.57Å; C218-P352 PolarHBondContact SG-O 2.92Å; C218-L356 HydrophobicContact CB-CD2 4.45Å
219	H	91.6	Very high	90.4	Very high	100 Å²	100	57 Å²	57	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-69	-42.1	179	-171	65.1	0	0	0	111.8	L215 E216 K217 L222 N223	L215-H219 PolarHBondContact O-N 2.85Å; L215-H219 VanDerWaalsContact O-N 3.14Å; E216-H219 WeakPolarHBondContact O-CB 3.41Å; E216-H219 PolarHBondContact O-N 3.34Å; K217-H219 PolarHBondContact O-N 3.39Å; H219-L222 PolarHBondContact O-N 2.92Å; H219-N223 PolarHBondContact NE2-ND2 3.29Å; H219-N223 VanDerWaalsContact O-CG 3.28Å; H219-N223 PolarHBondContact O-N 3.44Å; H219-N223 VanDerWaalsContact O-N 3.08Å; H219-N223 PolarHBondContact O-ND2 2.76Å
220	E	91.8	Very high	89.9	Confident	125 Å²	125	59.7 Å²	59.7	58%	0.584	29%	0.289	S	S	*	.	H	α-helix	trans	-59.2	-47.8	172.6	-66.9	169.9	-179.8	0	0	111.1	E216 K217 L222 N223 S224	E216-E220 PolarHBondContact O-N 2.91Å; K217-E220 PolarHBondContact O-N 3.17Å; E220-L222 PolarHBondContact O-N 2.93Å; E220-N223 PolarHBondContact O-N 2.89Å; E220-N223 VanDerWaalsContact O-N 3.12Å; E220-S224 PolarHBondContact O-N 3.36Å
221	N	91.8	Very high	89.4	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-40.9	177.9	-71	0.9	0	0	0	112.5	K217 N223 S224 L225 E349 F350	K217-N221 WeakPolarHBondContact O-CB 3.41Å; K217-N221 PolarHBondContact O-N 3.49Å; K217-N221 PolarHBondContact O-OD1 3.32Å; N221-N223 VanDerWaalsContact C-N 3.3Å; N221-N223 PolarHBondContact O-N 3.38Å; N221-S224 PolarHBondContact O-N 3.03Å; N221-L225 WeakPolarHBondContact O-CG 3.35Å; N221-L225 PolarHBondContact O-N 2.99Å; N221-E349 PolarHBondContact ND2-O 3.14Å; N221-F350 HydrophobicContact CB-CD1 4.03Å; N221-F350 HydrophobicContact CB-CE1 4.31Å; N221-F350 WeakPolarHBondContact ND2-CA 3.44Å
222	L	91.7	Very high	88.4	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-33	176.3	-75.6	169.9	0	0	0	112.4	C218 H219 E220 Q226 L286 M289 K290 A293 L353	C218-L222 WeakPolarHBondContact O-CB 3.32Å; C218-L222 WeakPolarHBondContact O-CG 3.27Å; C218-L222 PolarHBondContact O-N 3.31Å; H219-L222 PolarHBondContact O-N 2.92Å; E220-L222 PolarHBondContact O-N 2.93Å; L222-Q226 PolarHBondContact O-N 3.46Å; L222-Q226 VanDerWaalsContact O-N 3.14Å; L222-L286 HydrophobicContact CD2-CD2 3.83Å; L222-M289 HydrophobicContact CD1-CB 4.35Å; L222-M289 HydrophobicContact CD2-CB 3.74Å; L222-K290 HydrophobicContact CB-CG 4.43Å; L222-K290 HydrophobicContact CD1-CG 4.01Å; L222-A293 HydrophobicContact CD1-CB 4.37Å; L222-L353 HydrophobicContact CD1-CD1 4.43Å; L222-L353 HydrophobicContact CD2-CD1 3.82Å; L222-L353 HydrophobicContact CD2-CD2 4.05Å; L222-L353 HydrophobicContact CG-CD1 4Å
223	N	91.3	Very high	87.4	Confident	66 Å²	66	64.4 Å²	64.4	35%	0.353	32%	0.318	S	S	.	.	H	α-helix	trans	-74.5	-35.8	174.6	-66.3	-23.2	0	0	0	111.4	H219 E220 N221 Q226 K227	H219-N223 PolarHBondContact NE2-ND2 3.29Å; H219-N223 VanDerWaalsContact O-CG 3.28Å; H219-N223 PolarHBondContact O-N 3.44Å; H219-N223 VanDerWaalsContact O-N 3.08Å; H219-N223 PolarHBondContact O-ND2 2.76Å; E220-N223 PolarHBondContact O-N 2.89Å; E220-N223 VanDerWaalsContact O-N 3.12Å; N221-N223 VanDerWaalsContact C-N 3.3Å; N221-N223 PolarHBondContact O-N 3.38Å; N223-Q226 PolarHBondContact O-N 2.97Å; N223-K227 PolarHBondContact O-N 2.9Å
224	S	89.3	Confident	86.9	Confident	45 Å²	45	64.1 Å²	64.1	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-45	172.8	-156	0	0	0	0	111.6	E220 N221 Q226 K227 H228	E220-S224 PolarHBondContact O-N 3.36Å; N221-S224 PolarHBondContact O-N 3.03Å; S224-Q226 VanDerWaalsContact C-N 3.3Å; S224-Q226 PolarHBondContact O-N 3.47Å; S224-K227 PolarHBondContact O-N 3.35Å; S224-H228 PolarHBondContact O-CD2 3.44Å; S224-H228 PolarHBondContact O-N 3Å; S224-H228 VanDerWaalsContact O-N 3.12Å
225	L	88.2	Confident	86.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-37.4	176.1	-73.9	176.3	0	0	0	112.4	N221 K227 H228 I229 L286 L335 L339 L342 L344 F350 L353	N221-L225 WeakPolarHBondContact O-CG 3.35Å; N221-L225 PolarHBondContact O-N 2.99Å; L225-K227 VanDerWaalsContact C-N 3.33Å; L225-K227 PolarHBondContact O-N 3.3Å; L225-H228 PolarHBondContact O-N 3.45Å; L225-I229 WeakPolarHBondContact O-CD1 3.48Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å; L225-L286 HydrophobicContact CB-CD2 4.07Å; L225-L286 HydrophobicContact CD1-CD2 4.29Å; L225-L335 HydrophobicContact CD1-CD1 4.47Å; L225-L339 HydrophobicContact CD2-CD2 3.94Å; L225-L342 HydrophobicContact CD2-CD1 3.74Å; L225-L344 HydrophobicContact CD2-CD1 3.56Å; L225-F350 HydrophobicContact CD1-CD1 4.27Å; L225-F350 HydrophobicContact CD1-CE1 4.28Å; L225-F350 HydrophobicContact CD2-CD1 4.15Å; L225-F350 HydrophobicContact CD2-CE1 3.61Å; L225-F350 HydrophobicContact CD2-CZ 3.96Å; L225-F350 HydrophobicContact CG-CD1 4.1Å; L225-F350 HydrophobicContact CG-CE1 3.62Å; L225-F350 HydrophobicContact CG-CZ 4.4Å; L225-L353 HydrophobicContact CD1-CD2 3.33Å
226	Q	89.4	Confident	85.6	Confident	41 Å²	41	73.4 Å²	73.4	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-46	174.9	-171.4	72.8	57.6	0	0	111.1	L222 N223 S224 H228 I229 D230 D283 L286 K290	L222-Q226 PolarHBondContact O-N 3.46Å; L222-Q226 VanDerWaalsContact O-N 3.14Å; N223-Q226 PolarHBondContact O-N 2.97Å; S224-Q226 VanDerWaalsContact C-N 3.3Å; S224-Q226 PolarHBondContact O-N 3.47Å; Q226-H228 VanDerWaalsContact C-N 3.35Å; Q226-H228 PolarHBondContact O-N 2.85Å; Q226-I229 PolarHBondContact O-N 3.05Å; Q226-D230 PolarHBondContact NE2-OD1 2.97Å; Q226-D230 PolarHBondContact O-N 3.35Å; Q226-D283 PolarHBondContact NE2-OD1 3.19Å; Q226-L286 HydrophobicContact CB-CD1 4.01Å; Q226-L286 VanDerWaalsContact OE1-CD1 3.23Å; Q226-K290 VanDerWaalsContact OE1-NZ 3.11Å
227	K	88.1	Confident	85	Confident	134 Å²	134	71.6 Å²	71.6	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-60.8	-43.2	178.2	-67.4	178.6	179.6	-175.7	0	112.2	N223 S224 L225 I229 D230 E231	N223-K227 PolarHBondContact O-N 2.9Å; S224-K227 PolarHBondContact O-N 3.35Å; L225-K227 VanDerWaalsContact C-N 3.33Å; L225-K227 PolarHBondContact O-N 3.3Å; K227-I229 VanDerWaalsContact C-N 3.32Å; K227-I229 PolarHBondContact O-N 3.41Å; K227-D230 PolarHBondContact O-N 2.86Å; K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 VanDerWaalsContact O-CG 3.31Å; K227-E231 WeakPolarHBondContact O-CG 3.4Å; K227-E231 PolarHBondContact O-N 2.98Å
228	H	84.4	Confident	84.4	Confident	56 Å²	56	71.3 Å²	71.3	26%	0.259	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-38.5	176.6	-72	-61	0	0	0	112.6	S224 L225 Q226 D230 E231 E232	S224-H228 PolarHBondContact O-CD2 3.44Å; S224-H228 PolarHBondContact O-N 3Å; S224-H228 VanDerWaalsContact O-N 3.12Å; L225-H228 PolarHBondContact O-N 3.45Å; Q226-H228 VanDerWaalsContact C-N 3.35Å; Q226-H228 PolarHBondContact O-N 2.85Å; H228-D230 VanDerWaalsContact C-N 3.32Å; H228-E231 PolarHBondContact O-N 3.39Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 WeakPolarHBondContact O-CG 3.47Å; H228-E232 PolarHBondContact O-N 2.89Å
229	I	84.2	Confident	83.8	Confident	12 Å²	12	75.1 Å²	75.1	6%	0.062	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-37.6	175.4	-74	159.1	0	0	0	111.2	L225 Q226 K227 E231 L237 A282 L286 L338 L342	L225-I229 WeakPolarHBondContact O-CD1 3.48Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å; Q226-I229 PolarHBondContact O-N 3.05Å; K227-I229 VanDerWaalsContact C-N 3.32Å; K227-I229 PolarHBondContact O-N 3.41Å; I229-E231 VanDerWaalsContact C-N 3.31Å; I229-L237 HydrophobicContact CG2-CD1 4.27Å; I229-A282 HydrophobicContact CD1-CB 3.86Å; I229-A282 HydrophobicContact CG1-CB 4.28Å; I229-A282 HydrophobicContact CG2-CB 4.34Å; I229-L286 HydrophobicContact CD1-CD1 3.4Å; I229-L286 HydrophobicContact CD1-CD2 4.48Å; I229-L286 HydrophobicContact CD1-CG 3.89Å; I229-L338 HydrophobicContact CD1-CD1 4.38Å; I229-L338 HydrophobicContact CD1-CD2 4.3Å; I229-L342 HydrophobicContact CD1-CD1 4.46Å; I229-L342 HydrophobicContact CG1-CD1 4.12Å; I229-L342 HydrophobicContact CG1-CD2 3.83Å
230	D	83.3	Confident	83	Confident	114 Å²	114	70.5 Å²	70.5	61%	0.61	35%	0.35	S	S	*	.	H	α-helix	trans	-71.1	-27.1	177.8	-59	-21.8	0	0	0	112.2	Q226 K227 H228	Q226-D230 PolarHBondContact NE2-OD1 2.97Å; Q226-D230 PolarHBondContact O-N 3.35Å; K227-D230 PolarHBondContact O-N 2.86Å; H228-D230 VanDerWaalsContact C-N 3.32Å
231	E	81.2	Confident	82.4	Confident	149 Å²	149	69.3 Å²	69.3	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-86.5	-23.5	179.9	-74	171	-174	0	0	113.8	K227 H228 I229	K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 VanDerWaalsContact O-CG 3.31Å; K227-E231 WeakPolarHBondContact O-CG 3.4Å; K227-E231 PolarHBondContact O-N 2.98Å; H228-E231 PolarHBondContact O-N 3.39Å; I229-E231 VanDerWaalsContact C-N 3.31Å
232	E	71.8	Confident	81.8	Confident	42 Å²	42	73.7 Å²	73.7	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-82.6	160.5	-170.6	-91.2	-162.9	-171.7	0	0	116.1	H228 V234 L342	H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 WeakPolarHBondContact O-CG 3.47Å; H228-E232 PolarHBondContact O-N 2.89Å; E232-V234 PolarHBondContact O-N 3.44Å; E232-L342 HydrophobicContact CG-CD2 4.4Å; E232-L342 WeakPolarHBondContact OE1-CA 3.39Å; E232-L342 VanDerWaalsContact OE1-O 3.05Å; E232-L342 WeakPolarHBondContact OE2-CD2 3.38Å
233	N	68.2	Low	81	Confident	116 Å²	116	78.5 Å²	78.5	62%	0.62	38%	0.378	S	S	*	.			trans	-67.4	116.2	178.9	-76.4	-41.2	0	0	0	110.8	K235 Q236	N233-K235 PolarHBondContact O-N 2.96Å; N233-Q236 PolarHBondContact O-N 2.87Å
234	V	78.4	Confident	80.1	Confident	97 Å²	97	75.8 Å²	75.8	59%	0.588	36%	0.364	S	S	*	.	H	α-helix	trans	-43.4	-37.3	174.7	179	0	0	0	0	112.8	E232 Q236 L237 E238	E232-V234 PolarHBondContact O-N 3.44Å; V234-Q236 PolarHBondContact O-N 2.96Å; V234-L237 PolarHBondContact O-N 3.14Å; V234-E238 HydrophobicContact CG1-CG 4.21Å; V234-E238 WeakPolarHBondContact O-CG 3.23Å; V234-E238 PolarHBondContact O-N 3.2Å
235	K	79.4	Confident	79.3	Confident	168 Å²	168	76.7 Å²	76.7	73%	0.73	37%	0.367	S	S	*	.	H	α-helix	trans	-59.2	-38.5	178.5	-64.7	-177.1	-179.9	178.4	0	114.2	N233 L239	N233-K235 PolarHBondContact O-N 2.96Å; K235-L239 WeakPolarHBondContact O-CB 3.25Å; K235-L239 PolarHBondContact O-N 3.28Å
236	Q	77.6	Confident	78.3	Confident	63 Å²	63	83.3 Å²	83.3	29%	0.294	40%	0.398	S	S	.	.	H	α-helix	trans	-68.7	-39.3	179.6	-77.5	173.8	-52.6	0	0	110.9	N233 V234 L239 E240 E343	N233-Q236 PolarHBondContact O-N 2.87Å; V234-Q236 PolarHBondContact O-N 2.96Å; Q236-L239 PolarHBondContact O-N 2.98Å; Q236-E240 PolarHBondContact O-N 3.29Å; Q236-E343 PolarHBondContact NE2-OE1 3.06Å
237	L	77.9	Confident	77.1	Confident	35 Å²	35	82.1 Å²	82.1	18%	0.183	40%	0.397	C	S	.	.	H	α-helix	trans	-68.9	-38.2	176.3	-64.1	173.9	0	0	0	112.2	I229 V234 E240 Y241 A282 T341	I229-L237 HydrophobicContact CG2-CD1 4.27Å; V234-L237 PolarHBondContact O-N 3.14Å; L237-E240 PolarHBondContact O-N 3.11Å; L237-Y241 PolarHBondContact O-N 3.22Å; L237-A282 HydrophobicContact CD2-CB 4.3Å; L237-T341 HydrophobicContact CD2-CG2 4.23Å
238	E	81	Confident	75.7	Confident	113 Å²	113	77 Å²	77	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-44.4	173.1	-75.1	176.5	165.2	0	0	111.6	V234 E240 Y241 E242	V234-E238 HydrophobicContact CG1-CG 4.21Å; V234-E238 WeakPolarHBondContact O-CG 3.23Å; V234-E238 PolarHBondContact O-N 3.2Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-E240 PolarHBondContact O-N 3.15Å; E238-Y241 WeakPolarHBondContact O-CB 3.32Å; E238-Y241 PolarHBondContact O-N 3Å; E238-Y241 VanDerWaalsContact O-N 3.11Å; E238-E242 PolarHBondContact O-N 2.85Å
239	L	79.2	Confident	74.1	Confident	80 Å²	80	83.4 Å²	83.4	42%	0.419	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-35.8	178.9	-159.1	152	0	0	0	111.4	K235 Q236 R243	K235-L239 WeakPolarHBondContact O-CB 3.25Å; K235-L239 PolarHBondContact O-N 3.28Å; Q236-L239 PolarHBondContact O-N 2.98Å; L239-R243 HydrophobicContact CD2-CG 4.32Å; L239-R243 VanDerWaalsContact O-CG 3.31Å; L239-R243 WeakPolarHBondContact O-CG 3.25Å; L239-R243 PolarHBondContact O-N 3.39Å; L239-R243 VanDerWaalsContact O-N 3.07Å
240	E	75.5	Confident	72.5	Confident	3 Å²	3	87.9 Å²	87.9	1%	0.014	42%	0.423	C	S	.	.	H	α-helix	trans	-60.5	-46.6	168.6	-175.5	-174	-143.2	0	0	111.4	Q236 L237 E238 E242 R243 L244 R334 S337 L338 T341	Q236-E240 PolarHBondContact O-N 3.29Å; L237-E240 PolarHBondContact O-N 3.11Å; E238-E240 VanDerWaalsContact C-N 3.34Å; E238-E240 PolarHBondContact O-N 3.15Å; E240-E242 VanDerWaalsContact C-N 3.32Å; E240-E242 PolarHBondContact O-N 2.7Å; E240-R243 WeakPolarHBondContact O-CB 3.28Å; E240-R243 PolarHBondContact O-N 3.39Å; E240-L244 HydrophobicContact CG-CD1 4.02Å; E240-L244 HydrophobicContact CG-CG 4.27Å; E240-L244 WeakPolarHBondContact O-CG 3.28Å; E240-L244 PolarHBondContact O-N 2.79Å; E240-R334 IonicContact OE1-CZ 2.82Å; E240-R334 IonicContact OE1-NH1 3.76Å; E240-R334 PolarHBondContact OE1-NH1 3.45Å; E240-R334 IonicContact OE1-NH2 3.09Å; E240-R334 IonicContact OE2-CZ 2.74Å; E240-R334 IonicContact OE2-NH1 2.74Å; E240-R334 PolarHBondContact OE2-NH1 3.35Å; E240-R334 VanDerWaalsContact OE2-NH1 3.09Å; E240-R334 IonicContact OE2-NH2 3.35Å; E240-R334 PolarHBondContact OE2-NH2 2.81Å; E240-S337 VanDerWaalsContact OE1-C 3.27Å; E240-S337 PolarHBondContact OE1-OG 2.86Å; E240-L338 PolarHBondContact OE1-N 2.71Å; E240-T341 HydrophobicContact CB-CG2 3.93Å; E240-T341 HydrophobicContact CG-CG2 4.43Å; E240-T341 PolarHBondContact OE1-OG1 3.31Å
241	Y	78.7	Confident	71	Confident	100 Å²	100	83.3 Å²	83.3	39%	0.392	40%	0.402	S	S	.	.	H	α-helix	trans	-58	-45.4	179.5	-180	-92.9	0	0	0	111.5	L237 E238 L244 V245 R280 T281	L237-Y241 PolarHBondContact O-N 3.22Å; E238-Y241 WeakPolarHBondContact O-CB 3.32Å; E238-Y241 PolarHBondContact O-N 3Å; E238-Y241 VanDerWaalsContact O-N 3.11Å; Y241-L244 PolarHBondContact O-N 3.44Å; Y241-V245 HydrophobicContact CD1-CG2 4.12Å; Y241-V245 HydrophobicContact CE1-CG2 3.74Å; Y241-V245 HydrophobicContact CE2-CG2 4.5Å; Y241-V245 VanDerWaalsContact O-CG2 3.29Å; Y241-V245 WeakPolarHBondContact O-CG2 3.34Å; Y241-V245 PolarHBondContact O-N 2.88Å; Y241-R280 HydrophobicContact CD2-CB 3.87Å; Y241-R280 HydrophobicContact CE2-CB 3.64Å; Y241-R280 HydrophobicContact CE2-CG 4.48Å; Y241-T281 HydrophobicContact CD2-CG2 4.26Å; Y241-T281 HydrophobicContact CE2-CG2 4.24Å
242	E	78.7	Confident	69.6	Low	112 Å²	112	82.5 Å²	82.5	52%	0.523	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-45.5	175.6	-71.1	-176.6	173.2	0	0	112.3	E238 E240 L244 V245 Q246	E238-E242 PolarHBondContact O-N 2.85Å; E240-E242 VanDerWaalsContact C-N 3.32Å; E240-E242 PolarHBondContact O-N 2.7Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.22Å; E242-V245 PolarHBondContact O-N 2.82Å; E242-V245 VanDerWaalsContact O-N 3.13Å; E242-Q246 WeakPolarHBondContact O-CG 3.22Å; E242-Q246 PolarHBondContact O-N 3.33Å
243	R	74.4	Confident	68.5	Low	103 Å²	103	88.1 Å²	88.1	39%	0.389	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-42.1	175.2	-71.8	172.5	-175.9	165.4	4.2	111.9	L239 E240 V245 G247	L239-R243 HydrophobicContact CD2-CG 4.32Å; L239-R243 VanDerWaalsContact O-CG 3.31Å; L239-R243 WeakPolarHBondContact O-CG 3.25Å; L239-R243 PolarHBondContact O-N 3.39Å; L239-R243 VanDerWaalsContact O-N 3.07Å; E240-R243 WeakPolarHBondContact O-CB 3.28Å; E240-R243 PolarHBondContact O-N 3.39Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.86Å; R243-G247 PolarHBondContact O-N 3.29Å; R243-G247 VanDerWaalsContact O-N 3.15Å
244	L	73.1	Confident	67.6	Low	8 Å²	8	85.7 Å²	85.7	4%	0.042	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-30.2	178.5	-68.1	175.7	0	0	0	112.5	E240 Y241 E242 V275	E240-L244 HydrophobicContact CG-CD1 4.02Å; E240-L244 HydrophobicContact CG-CG 4.27Å; E240-L244 WeakPolarHBondContact O-CG 3.28Å; E240-L244 PolarHBondContact O-N 2.79Å; Y241-L244 PolarHBondContact O-N 3.44Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 3.22Å; L244-V275 HydrophobicContact CD2-CG2 4.1Å
245	V	72.8	Confident	66.4	Low	65 Å²	65	84 Å²	84	39%	0.394	39%	0.386	S	S	.	.	H	α-helix	trans	-76.2	-44.1	176	171.7	0	0	0	0	111.8	Y241 E242 R243 G247	Y241-V245 HydrophobicContact CD1-CG2 4.12Å; Y241-V245 HydrophobicContact CE1-CG2 3.74Å; Y241-V245 HydrophobicContact CE2-CG2 4.5Å; Y241-V245 VanDerWaalsContact O-CG2 3.29Å; Y241-V245 WeakPolarHBondContact O-CG2 3.34Å; Y241-V245 PolarHBondContact O-N 2.88Å; E242-V245 PolarHBondContact O-N 2.82Å; E242-V245 VanDerWaalsContact O-N 3.13Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.86Å; V245-G247 PolarHBondContact O-N 3.47Å
246	Q	68.1	Low	65	Low	138 Å²	138	83.2 Å²	83.2	65%	0.645	39%	0.385	S	S	*	.	H	α-helix	trans	-67.8	-16.1	177.3	-68.1	178.4	8	0	0	112.5	E242	E242-Q246 WeakPolarHBondContact O-CG 3.22Å; E242-Q246 PolarHBondContact O-N 3.33Å
247	G	62.7	Low	63.6	Low	16 Å²	16	85.3 Å²	85.3	17%	0.165	40%	0.398	C	S	.	.			trans	100.1	161.5	171	0	0	0	0	0	112.9	R243 V245 K249	R243-G247 PolarHBondContact O-N 3.29Å; R243-G247 VanDerWaalsContact O-N 3.15Å; V245-G247 PolarHBondContact O-N 3.47Å; G247-K249 PolarHBondContact O-N 3.21Å
248	L	58.7	Low	62.3	Low	27 Å²	27	84.5 Å²	84.5	14%	0.141	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	3	-171	-70	164.1	0	0	0	115.1	E250 A251 R252 V275	L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.46Å; L248-A251 HydrophobicContact CD2-CB 3.99Å; L248-A251 WeakPolarHBondContact O-CB 3.33Å; L248-A251 PolarHBondContact O-N 3.32Å; L248-R252 PolarHBondContact O-N 2.84Å; L248-R252 VanDerWaalsContact O-N 3.11Å; L248-V275 HydrophobicContact CD1-CG2 4.17Å; L248-V275 HydrophobicContact CD2-CG2 4.46Å; L248-V275 HydrophobicContact CG-CG2 4.38Å
249	K	52.1	Low	61	Low	191 Å²	191	80.6 Å²	80.6	83%	0.83	38%	0.375	S	S	*	.	H	α-helix	trans	-61.1	-38.2	-179.1	-77.9	-173.7	178.2	178.2	0	112.2	G247 R252	G247-K249 PolarHBondContact O-N 3.21Å; K249-R252 WeakPolarHBondContact O-CB 3.41Å
250	E	50.8	Low	59.5	Low	105 Å²	105	78.6 Å²	78.6	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-75.8	-36.1	176	-66.7	-166.1	156.4	0	0	112.6	L248 R252 K253 L254	L248-E250 VanDerWaalsContact C-N 3.31Å; L248-E250 PolarHBondContact O-N 3.46Å; E250-R252 PolarHBondContact O-N 3.48Å; E250-R252 VanDerWaalsContact O-N 3.15Å; E250-K253 PolarHBondContact O-N 3.24Å; E250-L254 PolarHBondContact O-N 2.87Å
251	A	51.1	Low	58.3	Low	19 Å²	19	82.5 Å²	82.5	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-57.3	-31.4	174.4	0	0	0	0	0	111.5	L248 K253 L254 R255	L248-A251 HydrophobicContact CD2-CB 3.99Å; L248-A251 WeakPolarHBondContact O-CB 3.33Å; L248-A251 PolarHBondContact O-N 3.32Å; A251-K253 PolarHBondContact O-N 2.86Å; A251-L254 PolarHBondContact O-N 2.84Å; A251-R255 VanDerWaalsContact O-CG 3.31Å; A251-R255 WeakPolarHBondContact O-CG 3.3Å; A251-R255 PolarHBondContact O-N 3.09Å
252	R	51.9	Low	56.7	Low	132 Å²	132	78.3 Å²	78.3	50%	0.498	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-36.6	175.6	-152.7	-178.8	-164.2	-168.2	4	113.4	L248 K249 E250	L248-R252 PolarHBondContact O-N 2.84Å; L248-R252 VanDerWaalsContact O-N 3.11Å; K249-R252 WeakPolarHBondContact O-CB 3.41Å; E250-R252 PolarHBondContact O-N 3.48Å; E250-R252 VanDerWaalsContact O-N 3.15Å
253	K	49.2	Very low	55.4	Low	160 Å²	160	73.4 Å²	73.4	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-72.7	-38.9	174.6	-73.5	-175.4	175.8	-178.2	0	111.5	E250 A251 R255 E256	E250-K253 PolarHBondContact O-N 3.24Å; A251-K253 PolarHBondContact O-N 2.86Å; K253-R255 VanDerWaalsContact C-N 3.29Å; K253-R255 PolarHBondContact O-N 3.18Å; K253-E256 WeakPolarHBondContact O-CB 3.29Å; K253-E256 PolarHBondContact O-N 2.84Å
254	L	49	Very low	54.3	Low	65 Å²	65	68.5 Å²	68.5	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-68.6	-28.1	176.7	-71.1	162.7	0	0	0	112.7	E250 A251 E256 N257 D258	E250-L254 PolarHBondContact O-N 2.87Å; A251-L254 PolarHBondContact O-N 2.84Å; L254-E256 PolarHBondContact O-N 3.31Å; L254-N257 PolarHBondContact O-N 3.32Å; L254-N257 VanDerWaalsContact O-N 3.16Å; L254-D258 PolarHBondContact O-N 3.12Å
255	R	52.4	Low	53.4	Low	62 Å²	62	70.2 Å²	70.2	23%	0.234	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.5	173.4	-81.1	178.7	-164.7	-168.8	4.9	113.5	E178 A251 K253 N257 E333	E178-R255 IonicContact OE1-NH1 2.81Å; A251-R255 VanDerWaalsContact O-CG 3.31Å; A251-R255 WeakPolarHBondContact O-CG 3.3Å; A251-R255 PolarHBondContact O-N 3.09Å; K253-R255 VanDerWaalsContact C-N 3.29Å; K253-R255 PolarHBondContact O-N 3.18Å; R255-N257 PolarHBondContact O-N 3.05Å; R255-E333 IonicContact CZ-OE1 3.94Å; R255-E333 IonicContact CZ-OE2 2.99Å; R255-E333 IonicContact NH1-OE1 2.95Å; R255-E333 IonicContact NH2-OE1 3.76Å; R255-E333 PolarHBondContact NH2-OE1 3.35Å; R255-E333 IonicContact NH2-OE2 3.28Å; R255-E333 PolarHBondContact NH2-OE2 3.34Å
256	E	50	Low	52.5	Low	151 Å²	151	67.7 Å²	67.7	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.7	178.1	-66.7	178.2	171.5	0	0	111.3	K253 L254	K253-E256 WeakPolarHBondContact O-CB 3.29Å; K253-E256 PolarHBondContact O-N 2.84Å; L254-E256 PolarHBondContact O-N 3.31Å
257	N	48.2	Very low	51.9	Low	107 Å²	107	63.7 Å²	63.7	57%	0.572	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-38.2	-175.4	-67.8	-18.3	0	0	0	113.4	L254 R255	L254-N257 PolarHBondContact O-N 3.32Å; L254-N257 VanDerWaalsContact O-N 3.16Å; R255-N257 PolarHBondContact O-N 3.05Å
258	D	50.3	Low	51.4	Low	17 Å²	17	68 Å²	68	9%	0.091	33%	0.332	C	S	.	.			trans	-104.4	98.2	-176.8	-73	-41.3	0	0	0	112.5	S99 L254 I260	S99-D258 WeakPolarHBondContact CB-OD1 3.18Å; S99-D258 VanDerWaalsContact CB-OD2 3.29Å; S99-D258 WeakPolarHBondContact CB-OD2 3.39Å; S99-D258 PolarHBondContact N-OD1 3.37Å; S99-D258 PolarHBondContact OG-OD1 2.9Å; S99-D258 PolarHBondContact OG-OD2 2.72Å; L254-D258 PolarHBondContact O-N 3.12Å; D258-I260 PolarHBondContact O-N 3.46Å
259	Q	53.6	Low	51	Low	31 Å²	31	72.6 Å²	72.6	15%	0.145	36%	0.356	C	S	.	.			trans	-77.7	62	-175.8	-56.4	177.8	5.7	0	0	112.6
260	I	48.5	Very low	51.2	Low	38 Å²	38	63.7 Å²	63.7	20%	0.195	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-81	141.7	162.5	-60.4	176	0	0	0	107.6	L94 D258 G262	L94-I260 HydrophobicContact CD2-CG1 4.24Å; D258-I260 PolarHBondContact O-N 3.46Å; I260-G262 PolarHBondContact O-N 3.31Å; I260-G262 VanDerWaalsContact O-N 3.09Å
261	L	49.3	Very low	51.4	Low	85 Å²	85	60 Å²	60	45%	0.445	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-46.1	120.4	179.7	-86.7	111.9	0	0	0	110.7
262	G	46.2	Very low	51.7	Low	12 Å²	12	66.9 Å²	66.9	12%	0.124	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.3	154.9	-178.6	0	0	0	0	0	112.2	I260	I260-G262 PolarHBondContact O-N 3.31Å; I260-G262 VanDerWaalsContact O-N 3.09Å
263	N	51.2	Low	52.4	Low	9 Å²	9	64.1 Å²	64.1	5%	0.048	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.2	131.3	-175.3	-175.3	22	0	0	0	111.4	V265 L266 E333	N263-V265 PolarHBondContact O-N 3.32Å; N263-V265 VanDerWaalsContact O-N 3.09Å; N263-L266 WeakPolarHBondContact ND2-CD1 3.39Å; N263-L266 WeakPolarHBondContact ND2-CG 3.26Å; N263-E333 HydrophobicContact CB-CG 4.12Å; N263-E333 WeakPolarHBondContact CB-OE1 3.39Å; N263-E333 VanDerWaalsContact ND2-CD 3.29Å; N263-E333 WeakPolarHBondContact ND2-CG 2.98Å; N263-E333 PolarHBondContact ND2-OE1 3.12Å
264	P	51.4	Low	53	Low	1 Å²	1	59.3 Å²	59.3	1%	0.006	31%	0.31	C	S	.	.	S	Bend	trans	-67.1	110.8	-178.7	25.3	-34.2	0	0	0	111.5	K175 L266 H358 T361 L362	K175-P264 HydrophobicContact CG-CB 4.03Å; P264-L266 PolarHBondContact O-N 3.46Å; P264-L266 VanDerWaalsContact O-N 3.11Å; P264-H358 HydrophobicContact CG-CB 4.39Å; P264-T361 HydrophobicContact CG-CG2 4.24Å; P264-L362 HydrophobicContact CB-CD2 4.05Å; P264-L362 HydrophobicContact CB-CG 4.36Å; P264-L362 HydrophobicContact CG-CG 4.4Å
265	V	53.1	Low	54.1	Low	43 Å²	43	56.3 Å²	56.3	26%	0.261	29%	0.294	S	S	.	.			trans	28.4	66.8	170	-157.6	0	0	0	0	114.3	P174 L206 N263 Y366	P174-V265 HydrophobicContact CB-CB 4.3Å; P174-V265 HydrophobicContact CB-CG2 2.96Å; P174-V265 HydrophobicContact CG-CG2 3.23Å; L206-V265 HydrophobicContact CD2-CG2 4.5Å; N263-V265 PolarHBondContact O-N 3.32Å; N263-V265 VanDerWaalsContact O-N 3.09Å; V265-Y366 HydrophobicContact CB-CE2 4.18Å; V265-Y366 WeakPolarHBondContact CB-OH 3.48Å; V265-Y366 WeakPolarHBondContact CG1-OH 3.23Å; V265-Y366 WeakPolarHBondContact CG2-OH 3.49Å
266	L	55.7	Low	55.1	Low	13 Å²	13	54.2 Å²	54.2	7%	0.068	29%	0.288	C	S	.	.			trans	-75.5	130	148.5	-71.3	-170.8	0	0	0	107	N263 P264 D268 V270 L271 R329 T361 T365	N263-L266 WeakPolarHBondContact ND2-CD1 3.39Å; N263-L266 WeakPolarHBondContact ND2-CG 3.26Å; P264-L266 PolarHBondContact O-N 3.46Å; P264-L266 VanDerWaalsContact O-N 3.11Å; L266-D268 PolarHBondContact O-N 2.65Å; L266-V270 HydrophobicContact CB-CB 4.09Å; L266-V270 HydrophobicContact CD1-CB 4.24Å; L266-V270 HydrophobicContact CD1-CG1 3.87Å; L266-V270 HydrophobicContact CD2-CB 4.46Å; L266-V270 HydrophobicContact CD2-CG1 4.17Å; L266-V270 HydrophobicContact CG-CG1 4.44Å; L266-L271 HydrophobicContact CB-CD2 4.42Å; L266-L271 HydrophobicContact CB-CG 4.41Å; L266-L271 HydrophobicContact CD1-CD2 4.44Å; L266-R329 HydrophobicContact CD2-CG 3.58Å; L266-T361 HydrophobicContact CD2-CG2 3.96Å; L266-T361 HydrophobicContact CG-CG2 4.39Å; L266-T365 HydrophobicContact CD2-CG2 4.45Å; L266-T365 WeakPolarHBondContact CD2-OG1 3.44Å
267	P	53.7	Low	56.1	Low	54 Å²	54	49.1 Å²	49.1	35%	0.351	28%	0.277	S	S	.	.			trans	-46.7	140.2	162.2	-24	31.3	0	0	0	109.1	D269 V270	P267-D269 PolarHBondContact O-N 3.44Å; P267-V270 HydrophobicContact CB-CG2 4.19Å; P267-V270 HydrophobicContact CG-CG2 4.2Å; P267-V270 PolarHBondContact O-N 2.8Å
268	D	52.9	Low	57.5	Low	107 Å²	107	47.1 Å²	47.1	57%	0.572	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-29.5	-178.6	-81.3	-44.3	0	0	0	112.2	L266 V270 L271	L266-D268 PolarHBondContact O-N 2.65Å; D268-V270 VanDerWaalsContact C-N 3.3Å; D268-V270 PolarHBondContact O-N 2.79Å; D268-L271 WeakPolarHBondContact O-CB 3.43Å; D268-L271 PolarHBondContact O-N 3.41Å
269	D	51.3	Low	59	Low	122 Å²	122	46.3 Å²	46.3	65%	0.652	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.3	176.6	-53.4	-27.9	0	0	0	113.3	P267 Q272	P267-D269 PolarHBondContact O-N 3.44Å; D269-Q272 PolarHBondContact O-N 3Å
270	V	55.8	Low	60.4	Low	4 Å²	4	47.5 Å²	47.5	2%	0.024	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-78.7	-27.3	-178.7	-167.2	0	0	0	0	111.3	L266 P267 D268 Q272 E273 R329 F330	L266-V270 HydrophobicContact CB-CB 4.09Å; L266-V270 HydrophobicContact CD1-CB 4.24Å; L266-V270 HydrophobicContact CD1-CG1 3.87Å; L266-V270 HydrophobicContact CD2-CB 4.46Å; L266-V270 HydrophobicContact CD2-CG1 4.17Å; L266-V270 HydrophobicContact CG-CG1 4.44Å; P267-V270 HydrophobicContact CB-CG2 4.19Å; P267-V270 HydrophobicContact CG-CG2 4.2Å; P267-V270 PolarHBondContact O-N 2.8Å; D268-V270 VanDerWaalsContact C-N 3.3Å; D268-V270 PolarHBondContact O-N 2.79Å; V270-Q272 PolarHBondContact O-N 3.13Å; V270-E273 PolarHBondContact O-N 3.3Å; V270-R329 HydrophobicContact CG1-CG 4.25Å; V270-R329 VanDerWaalsContact CG2-NH2 3.3Å; V270-F330 HydrophobicContact CG1-CE1 3.97Å; V270-F330 HydrophobicContact CG1-CZ 3.8Å
271	L	54.9	Low	62.1	Low	27 Å²	27	48 Å²	48	14%	0.141	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.4	-17.6	175.5	-67.3	173.2	0	0	0	112.2	L266 D268	L266-L271 HydrophobicContact CB-CD2 4.42Å; L266-L271 HydrophobicContact CB-CG 4.41Å; L266-L271 HydrophobicContact CD1-CD2 4.44Å; D268-L271 WeakPolarHBondContact O-CB 3.43Å; D268-L271 PolarHBondContact O-N 3.41Å
272	Q	56.8	Low	63.9	Low	164 Å²	164	44.3 Å²	44.3	77%	0.766	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-86.9	-15.4	177.4	-58.3	-173.5	12.9	0	0	113.2	D269 V270	D269-Q272 PolarHBondContact O-N 3Å; V270-Q272 PolarHBondContact O-N 3.13Å
273	E	66.6	Low	65.9	Low	74 Å²	74	47.8 Å²	47.8	35%	0.346	27%	0.272	S	S	.	.	S	Bend	trans	-77.4	147.4	-179.8	-71.8	-169.4	-152.2	0	0	112.1	V270 K326 F330	V270-E273 PolarHBondContact O-N 3.3Å; E273-K326 WeakPolarHBondContact OE2-CE 3.26Å; E273-K326 IonicContact OE2-NZ 3.09Å; E273-K326 PolarHBondContact OE2-NZ 2.82Å; E273-F330 HydrophobicContact CB-CE1 4.26Å; E273-F330 HydrophobicContact CB-CZ 3.76Å
274	S	61.8	Low	67.7	Low	60 Å²	60	52.5 Å²	52.5	42%	0.42	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-73.8	143.5	173.8	58.3	0	0	0	0	111.4
275	V	72.1	Confident	69.6	Low	2 Å²	2	52.5 Å²	52.5	1%	0.012	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.8	129.8	177.5	178.2	0	0	0	0	109.3	L244 L248 G277 I279 R280	L244-V275 HydrophobicContact CD2-CG2 4.1Å; L248-V275 HydrophobicContact CD1-CG2 4.17Å; L248-V275 HydrophobicContact CD2-CG2 4.46Å; L248-V275 HydrophobicContact CG-CG2 4.38Å; V275-G277 PolarHBondContact O-N 3.45Å; V275-I279 HydrophobicContact CG1-CD1 3.75Å; V275-I279 HydrophobicContact CG1-CG1 3.65Å; V275-R280 PolarHBondContact O-NE 2.83Å; V275-R280 VanDerWaalsContact O-NE 3.1Å; V275-R280 PolarHBondContact O-NH2 3.1Å
276	P	73.4	Confident	71.4	Confident	17 Å²	17	50.5 Å²	50.5	11%	0.11	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.6	138.4	-178.7	-28.1	35	0	0	0	112.6	S278 I279 K326 P327 F330	P276-S278 PolarHBondContact O-N 3.25Å; P276-I279 HydrophobicContact CB-CG1 4.36Å; P276-I279 WeakPolarHBondContact O-CG1 3.36Å; P276-I279 PolarHBondContact O-N 3.2Å; P276-I279 VanDerWaalsContact O-N 3.09Å; P276-K326 HydrophobicContact CG-CD 4.33Å; P276-K326 HydrophobicContact CG-CG 3.91Å; P276-P327 HydrophobicContact CB-CG 4.38Å; P276-F330 HydrophobicContact CG-CD2 3.71Å; P276-F330 HydrophobicContact CG-CE2 4.02Å
277	G	70.5	Confident	73.1	Confident	45 Å²	45	52 Å²	52	46%	0.464	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-53.2	-31	-179.5	0	0	0	0	0	114.3	V275 I279 R280	V275-G277 PolarHBondContact O-N 3.45Å; G277-I279 PolarHBondContact O-N 3.29Å; G277-R280 PolarHBondContact O-N 2.82Å
278	S	78.5	Confident	75	Confident	64 Å²	64	49.7 Å²	49.7	45%	0.448	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.5	-15.2	-179.3	52.9	0	0	0	0	115.2	P276 H284	P276-S278 PolarHBondContact O-N 3.25Å; S278-H284 WeakPolarHBondContact O-CB 3.43Å
279	I	81.9	Confident	76.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-125.3	12.7	-179.3	60.1	169.4	0	0	0	113	V275 P276 G277 F285 F288 P327 F330 R334	V275-I279 HydrophobicContact CG1-CD1 3.75Å; V275-I279 HydrophobicContact CG1-CG1 3.65Å; P276-I279 HydrophobicContact CB-CG1 4.36Å; P276-I279 WeakPolarHBondContact O-CG1 3.36Å; P276-I279 PolarHBondContact O-N 3.2Å; P276-I279 VanDerWaalsContact O-N 3.09Å; G277-I279 PolarHBondContact O-N 3.29Å; I279-F285 HydrophobicContact CB-CD2 4.06Å; I279-F285 HydrophobicContact CG2-CD2 4.23Å; I279-F288 HydrophobicContact CG2-CB 4.33Å; I279-F288 HydrophobicContact CG2-CD1 4.23Å; I279-F288 HydrophobicContact CG2-CD2 4.29Å; I279-F288 HydrophobicContact CG2-CG 4.03Å; I279-P327 HydrophobicContact CG2-CB 4.12Å; I279-F330 HydrophobicContact CD1-CB 3.98Å; I279-R334 HydrophobicContact CD1-CB 4.36Å; I279-R334 WeakPolarHBondContact O-CD 3.44Å; I279-R334 PolarHBondContact O-NE 3.22Å
280	R	81.9	Confident	78.8	Confident	56 Å²	56	41.8 Å²	41.8	21%	0.211	24%	0.235	C	C	.	.	S	Bend	trans	-70.2	-49.8	-177.7	-71.7	-176.7	-172.5	166.6	-2	112.3	Y241 V275 G277 R334	Y241-R280 HydrophobicContact CD2-CB 3.87Å; Y241-R280 HydrophobicContact CE2-CB 3.64Å; Y241-R280 HydrophobicContact CE2-CG 4.48Å; V275-R280 PolarHBondContact O-NE 2.83Å; V275-R280 VanDerWaalsContact O-NE 3.1Å; V275-R280 PolarHBondContact O-NH2 3.1Å; G277-R280 PolarHBondContact O-N 2.82Å; R280-R334 PolarHBondContact O-NE 2.96Å; R280-R334 PolarHBondContact O-NH2 3.11Å
281	T	85.6	Confident	80.6	Confident	48 Å²	48	46.6 Å²	46.6	29%	0.294	25%	0.253	S	S	.	.	S	Bend	trans	-74.4	145.3	177.3	61.7	0	0	0	0	110.6	Y241 D283 H284 F285	Y241-T281 HydrophobicContact CD2-CG2 4.26Å; Y241-T281 HydrophobicContact CE2-CG2 4.24Å; T281-D283 VanDerWaalsContact C-N 3.31Å; T281-D283 PolarHBondContact O-N 2.93Å; T281-H284 PolarHBondContact O-N 3.36Å; T281-H284 VanDerWaalsContact OG1-CB 3.24Å; T281-H284 WeakPolarHBondContact OG1-CB 3.43Å; T281-H284 PolarHBondContact OG1-N 2.66Å; T281-H284 PolarHBondContact OG1-ND1 3.48Å; T281-F285 PolarHBondContact O-N 2.87Å
282	A	86.1	Confident	82.4	Confident	8 Å²	8	45.3 Å²	45.3	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-43	-179.3	0	0	0	0	0	111.5	I229 L237 H284 F285 L286 L338	I229-A282 HydrophobicContact CD1-CB 3.86Å; I229-A282 HydrophobicContact CG1-CB 4.28Å; I229-A282 HydrophobicContact CG2-CB 4.34Å; L237-A282 HydrophobicContact CD2-CB 4.3Å; A282-H284 PolarHBondContact O-N 2.82Å; A282-F285 PolarHBondContact O-N 2.69Å; A282-L286 PolarHBondContact O-N 2.86Å; A282-L338 HydrophobicContact CB-CD1 3.96Å
283	D	88	Confident	84.1	Confident	86 Å²	86	38.1 Å²	38.1	46%	0.46	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-43.9	178.4	-65.7	-47.3	0	0	0	113.2	Q226 T281 F285 L286 A287	Q226-D283 PolarHBondContact NE2-OD1 3.19Å; T281-D283 VanDerWaalsContact C-N 3.31Å; T281-D283 PolarHBondContact O-N 2.93Å; D283-F285 VanDerWaalsContact C-N 3.29Å; D283-F285 PolarHBondContact O-N 3.44Å; D283-L286 PolarHBondContact O-N 3.23Å; D283-A287 WeakPolarHBondContact O-CB 3.42Å; D283-A287 PolarHBondContact O-N 2.81Å
284	H	89.5	Confident	85.3	Confident	107 Å²	107	39.9 Å²	39.9	50%	0.495	22%	0.223	S	C	.	.	H	α-helix	trans	-65.8	-37	176.9	-65.5	161.8	0	0	0	111.2	S278 T281 A282 A287 F288	S278-H284 WeakPolarHBondContact O-CB 3.43Å; T281-H284 PolarHBondContact O-N 3.36Å; T281-H284 VanDerWaalsContact OG1-CB 3.24Å; T281-H284 WeakPolarHBondContact OG1-CB 3.43Å; T281-H284 PolarHBondContact OG1-N 2.66Å; T281-H284 PolarHBondContact OG1-ND1 3.48Å; A282-H284 PolarHBondContact O-N 2.82Å; H284-A287 PolarHBondContact O-N 3.39Å; H284-F288 VanDerWaalsContact O-CB 3.22Å; H284-F288 WeakPolarHBondContact O-CB 3.43Å; H284-F288 PolarHBondContact O-N 3.35Å
285	F	91.4	Very high	86.8	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-43.1	175.4	-178.9	-112.2	0	0	0	112.3	I279 T281 A282 D283 F288 M289 R334 L335 L338	I279-F285 HydrophobicContact CB-CD2 4.06Å; I279-F285 HydrophobicContact CG2-CD2 4.23Å; T281-F285 PolarHBondContact O-N 2.87Å; A282-F285 PolarHBondContact O-N 2.69Å; D283-F285 VanDerWaalsContact C-N 3.29Å; D283-F285 PolarHBondContact O-N 3.44Å; F285-F288 HydrophobicContact CD2-CD1 4.46Å; F285-F288 WeakPolarHBondContact O-CB 3.22Å; F285-F288 PolarHBondContact O-N 2.7Å; F285-M289 HydrophobicContact CD1-CG 4.47Å; F285-M289 HydrophobicContact CD2-CG 4.41Å; F285-M289 HydrophobicContact CE1-CG 4.03Å; F285-M289 HydrophobicContact CE2-CG 3.95Å; F285-M289 HydrophobicContact CE2-SD 4.35Å; F285-M289 HydrophobicContact CZ-CG 3.75Å; F285-M289 HydrophobicContact CZ-SD 4.23Å; F285-M289 WeakPolarHBondContact O-CG 3.34Å; F285-M289 PolarHBondContact O-N 3.46Å; F285-R334 HydrophobicContact CB-CG 4.3Å; F285-R334 HydrophobicContact CD1-CG 3.96Å; F285-R334 HydrophobicContact CD2-CB 4.12Å; F285-R334 HydrophobicContact CD2-CG 3.43Å; F285-R334 VanDerWaalsContact CD2-CG 3.43Å; F285-R334 HydrophobicContact CE1-CG 4.1Å; F285-R334 HydrophobicContact CE2-CB 3.78Å; F285-R334 HydrophobicContact CE2-CG 3.59Å; F285-R334 HydrophobicContact CG-CG 3.61Å; F285-R334 HydrophobicContact CZ-CB 4.05Å; F285-R334 HydrophobicContact CZ-CG 3.92Å; F285-L335 HydrophobicContact CE1-CB 4.13Å; F285-L335 HydrophobicContact CE1-CD1 4.09Å; F285-L335 HydrophobicContact CZ-CB 3.95Å; F285-L338 HydrophobicContact CD1-CD2 3.9Å; F285-L338 HydrophobicContact CE1-CD2 4.24Å
286	L	91.3	Very high	87.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-43	174.3	-74.7	-169.5	0	0	0	111.9	L222 L225 Q226 I229 A282 D283 F288 M289 K290	L222-L286 HydrophobicContact CD2-CD2 3.83Å; L225-L286 HydrophobicContact CB-CD2 4.07Å; L225-L286 HydrophobicContact CD1-CD2 4.29Å; Q226-L286 HydrophobicContact CB-CD1 4.01Å; Q226-L286 VanDerWaalsContact OE1-CD1 3.23Å; I229-L286 HydrophobicContact CD1-CD1 3.4Å; I229-L286 HydrophobicContact CD1-CD2 4.48Å; I229-L286 HydrophobicContact CD1-CG 3.89Å; A282-L286 PolarHBondContact O-N 2.86Å; D283-L286 PolarHBondContact O-N 3.23Å; L286-F288 VanDerWaalsContact C-N 3.3Å; L286-F288 PolarHBondContact O-N 3.08Å; L286-M289 PolarHBondContact O-N 2.69Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 VanDerWaalsContact O-CG 3.29Å; L286-K290 WeakPolarHBondContact O-CG 3.38Å; L286-K290 PolarHBondContact O-N 3.01Å
287	A	91	Very high	88.6	Confident	44 Å²	44	40.5 Å²	40.5	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-38.6	174.9	0	0	0	0	0	111.8	D283 H284 R291	D283-A287 WeakPolarHBondContact O-CB 3.42Å; D283-A287 PolarHBondContact O-N 2.81Å; H284-A287 PolarHBondContact O-N 3.39Å; A287-R291 WeakPolarHBondContact O-CB 3.16Å; A287-R291 WeakPolarHBondContact O-CG 3.17Å; A287-R291 PolarHBondContact O-N 3.28Å; A287-R291 PolarHBondContact O-NE 3.3Å
288	F	92.6	Very high	89.5	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-48.4	172.6	175.2	-94.5	0	0	0	111.8	I279 H284 F285 L286 R291 F292 I323 P327 L328	I279-F288 HydrophobicContact CG2-CB 4.33Å; I279-F288 HydrophobicContact CG2-CD1 4.23Å; I279-F288 HydrophobicContact CG2-CD2 4.29Å; I279-F288 HydrophobicContact CG2-CG 4.03Å; H284-F288 VanDerWaalsContact O-CB 3.22Å; H284-F288 WeakPolarHBondContact O-CB 3.43Å; H284-F288 PolarHBondContact O-N 3.35Å; F285-F288 HydrophobicContact CD2-CD1 4.46Å; F285-F288 WeakPolarHBondContact O-CB 3.22Å; F285-F288 PolarHBondContact O-N 2.7Å; L286-F288 VanDerWaalsContact C-N 3.3Å; L286-F288 PolarHBondContact O-N 3.08Å; F288-R291 PolarHBondContact O-N 3.37Å; F288-F292 PolarHBondContact O-N 3.27Å; F288-I323 HydrophobicContact CD2-CD1 4.46Å; F288-I323 HydrophobicContact CD2-CG1 4.28Å; F288-I323 HydrophobicContact CE2-CB 4.32Å; F288-I323 HydrophobicContact CE2-CD1 4.23Å; F288-I323 HydrophobicContact CE2-CG1 3.97Å; F288-I323 HydrophobicContact CE2-CG2 3.54Å; F288-I323 HydrophobicContact CZ-CG2 3.92Å; F288-P327 HydrophobicContact CE2-CB 3.76Å; F288-P327 HydrophobicContact CZ-CB 3.84Å; F288-L328 HydrophobicContact CE1-CD2 4.19Å; F288-L328 HydrophobicContact CZ-CD2 3.67Å; F288-L328 HydrophobicContact CZ-CG 4.03Å
289	M	92.6	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-39.1	178.7	-75	-58.7	-74.3	0	0	112.8	L222 F285 L286 F292 A293 C331 L353 L356	L222-M289 HydrophobicContact CD1-CB 4.35Å; L222-M289 HydrophobicContact CD2-CB 3.74Å; F285-M289 HydrophobicContact CD1-CG 4.47Å; F285-M289 HydrophobicContact CD2-CG 4.41Å; F285-M289 HydrophobicContact CE1-CG 4.03Å; F285-M289 HydrophobicContact CE2-CG 3.95Å; F285-M289 HydrophobicContact CE2-SD 4.35Å; F285-M289 HydrophobicContact CZ-CG 3.75Å; F285-M289 HydrophobicContact CZ-SD 4.23Å; F285-M289 WeakPolarHBondContact O-CG 3.34Å; F285-M289 PolarHBondContact O-N 3.46Å; L286-M289 PolarHBondContact O-N 2.69Å; M289-F292 PolarHBondContact O-N 3.49Å; M289-A293 VanDerWaalsContact O-CB 3.24Å; M289-A293 WeakPolarHBondContact O-CB 3.43Å; M289-A293 PolarHBondContact O-N 3.15Å; M289-C331 PolarHBondContact SD-SG 3.34Å; M289-L353 HydrophobicContact CE-CD1 3.46Å; M289-L353 VanDerWaalsContact CE-CD1 3.46Å; M289-L353 HydrophobicContact CE-CG 4.41Å; M289-L356 HydrophobicContact CE-CD2 4.01Å; M289-L356 HydrophobicContact CE-CG 4.22Å
290	K	92.9	Very high	90.2	Very high	64 Å²	64	41.8 Å²	41.8	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-45.1	173.3	-75.2	170.8	179	168.3	0	110.9	L222 Q226 L286 H294	L222-K290 HydrophobicContact CB-CG 4.43Å; L222-K290 HydrophobicContact CD1-CG 4.01Å; Q226-K290 VanDerWaalsContact OE1-NZ 3.11Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 VanDerWaalsContact O-CG 3.29Å; L286-K290 WeakPolarHBondContact O-CG 3.38Å; L286-K290 PolarHBondContact O-N 3.01Å; K290-H294 VanDerWaalsContact O-CB 3.31Å; K290-H294 WeakPolarHBondContact O-CB 3.5Å; K290-H294 PolarHBondContact O-N 3.31Å
291	R	92.4	Very high	90.4	Very high	104 Å²	104	46.2 Å²	46.2	39%	0.392	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-48.3	174.5	-76.9	-175.2	-70.7	168.4	-5.5	111.9	A287 F288 H294 Y295 M321 I323	A287-R291 WeakPolarHBondContact O-CB 3.16Å; A287-R291 WeakPolarHBondContact O-CG 3.17Å; A287-R291 PolarHBondContact O-N 3.28Å; A287-R291 PolarHBondContact O-NE 3.3Å; F288-R291 PolarHBondContact O-N 3.37Å; R291-H294 PolarHBondContact O-N 2.96Å; R291-Y295 PolarHBondContact O-N 3.35Å; R291-M321 HydrophobicContact CB-CE 3.69Å; R291-M321 HydrophobicContact CG-CE 3.95Å; R291-M321 WeakPolarHBondContact O-CE 3.17Å; R291-I323 HydrophobicContact CB-CD1 4.12Å
292	F	93.3	Very high	90.2	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-47.4	179.6	-176.5	-112.4	0	0	0	112	F288 M289 H294 Y295 V296 I317 I323 L328 L356 F359 A360	F288-F292 PolarHBondContact O-N 3.27Å; M289-F292 PolarHBondContact O-N 3.49Å; F292-H294 VanDerWaalsContact C-N 3.31Å; F292-H294 PolarHBondContact O-N 3.07Å; F292-Y295 WeakPolarHBondContact O-CB 3.41Å; F292-Y295 PolarHBondContact O-N 2.84Å; F292-Y295 VanDerWaalsContact O-N 3.16Å; F292-V296 HydrophobicContact CD1-CG2 4.44Å; F292-V296 HydrophobicContact CE1-CG2 4.08Å; F292-V296 HydrophobicContact CE2-CG2 4.22Å; F292-V296 HydrophobicContact CZ-CG2 3.97Å; F292-V296 WeakPolarHBondContact O-CG2 3.12Å; F292-V296 PolarHBondContact O-N 2.95Å; F292-I317 HydrophobicContact CE2-CD1 3.94Å; F292-I323 HydrophobicContact CB-CD1 4.31Å; F292-L328 HydrophobicContact CD2-CD2 3.67Å; F292-L328 HydrophobicContact CE2-CD2 3.64Å; F292-L328 HydrophobicContact CG-CD2 4.23Å; F292-L328 HydrophobicContact CZ-CD2 4.19Å; F292-L356 HydrophobicContact CD1-CD1 4.02Å; F292-L356 HydrophobicContact CD1-CD2 4.34Å; F292-L356 HydrophobicContact CD1-CG 4.05Å; F292-L356 HydrophobicContact CE1-CD1 3.65Å; F292-L356 HydrophobicContact CE1-CG 3.99Å; F292-F359 HydrophobicContact CE1-CD1 4.08Å; F292-F359 HydrophobicContact CE1-CE1 4.48Å; F292-F359 AromaticContact CZ-CD1 3.77Å; F292-F359 HydrophobicContact CZ-CD1 3.77Å; F292-F359 AromaticContact CZ-CE1 3.83Å; F292-F359 HydrophobicContact CZ-CE1 3.83Å; F292-A360 HydrophobicContact CD1-CB 4.36Å; F292-A360 HydrophobicContact CE1-CB 3.65Å; F292-A360 HydrophobicContact CZ-CB 3.77Å
293	A	92.9	Very high	90	Very high	12 Å²	12	50.5 Å²	50.5	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.1	0	0	0	0	0	112.1	L222 M289 V296 K297 L356	L222-A293 HydrophobicContact CD1-CB 4.37Å; M289-A293 VanDerWaalsContact O-CB 3.24Å; M289-A293 WeakPolarHBondContact O-CB 3.43Å; M289-A293 PolarHBondContact O-N 3.15Å; A293-V296 PolarHBondContact O-N 3.12Å; A293-K297 WeakPolarHBondContact O-CB 3.23Å; A293-K297 PolarHBondContact O-N 3.04Å; A293-L356 HydrophobicContact CB-CD2 3.82Å
294	H	91.7	Very high	89.7	Confident	112 Å²	112	50.3 Å²	50.3	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-41.9	175.7	-175.5	-92.6	0	0	0	112	K290 R291 F292 K297 H298	K290-H294 VanDerWaalsContact O-CB 3.31Å; K290-H294 WeakPolarHBondContact O-CB 3.5Å; K290-H294 PolarHBondContact O-N 3.31Å; R291-H294 PolarHBondContact O-N 2.96Å; F292-H294 VanDerWaalsContact C-N 3.31Å; F292-H294 PolarHBondContact O-N 3.07Å; H294-K297 PolarHBondContact O-N 2.93Å; H294-H298 WeakPolarHBondContact O-CB 3.44Å; H294-H298 PolarHBondContact O-N 3.33Å
295	Y	92.8	Very high	89.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-47.9	175.3	173.9	-91.7	0	0	0	112.1	R291 F292 K297 H298 R299 F313 D316 I317 M321	R291-Y295 PolarHBondContact O-N 3.35Å; F292-Y295 WeakPolarHBondContact O-CB 3.41Å; F292-Y295 PolarHBondContact O-N 2.84Å; F292-Y295 VanDerWaalsContact O-N 3.16Å; Y295-K297 VanDerWaalsContact C-N 3.29Å; Y295-K297 PolarHBondContact O-N 3Å; Y295-H298 WeakPolarHBondContact O-CB 3.21Å; Y295-H298 PolarHBondContact O-N 3.47Å; Y295-H298 VanDerWaalsContact O-N 3.1Å; Y295-R299 HydrophobicContact CD1-CG 4.09Å; Y295-R299 HydrophobicContact CD2-CG 4.48Å; Y295-R299 HydrophobicContact CE1-CG 3.52Å; Y295-R299 HydrophobicContact CE2-CG 4Å; Y295-R299 VanDerWaalsContact CZ-CG 3.48Å; Y295-R299 WeakPolarHBondContact O-CG 2.77Å; Y295-R299 PolarHBondContact O-N 2.92Å; Y295-R299 WeakPolarHBondContact OH-CD 3.2Å; Y295-F313 HydrophobicContact CD1-CZ 4.32Å; Y295-F313 HydrophobicContact CE1-CD2 4.22Å; Y295-F313 HydrophobicContact CE1-CE1 4.37Å; Y295-F313 AromaticContact CE1-CE2 3.55Å; Y295-F313 HydrophobicContact CE1-CE2 3.55Å; Y295-F313 AromaticContact CE1-CZ 3.64Å; Y295-F313 HydrophobicContact CE1-CZ 3.64Å; Y295-D316 WeakPolarHBondContact CE2-OD2 3.05Å; Y295-D316 PolarHBondContact OH-OD2 3.2Å; Y295-I317 HydrophobicContact CD1-CD1 3.95Å; Y295-I317 HydrophobicContact CD1-CG1 3.53Å; Y295-I317 HydrophobicContact CD2-CG1 4.33Å; Y295-I317 HydrophobicContact CE1-CB 4.41Å; Y295-I317 HydrophobicContact CE1-CD1 3.59Å; Y295-I317 HydrophobicContact CE1-CG1 3.06Å; Y295-I317 HydrophobicContact CE2-CG1 3.94Å; Y295-I317 HydrophobicContact CG-CG1 4.15Å; Y295-M321 HydrophobicContact CD2-CG 3.71Å; Y295-M321 HydrophobicContact CG-CG 4.06Å
296	V	92.3	Very high	89.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-42.4	177.4	-178.5	0	0	0	0	110.3	L210 L215 F292 A293 H298 R299 M300 L356 F359 L389	L210-V296 HydrophobicContact CD1-CG1 4.13Å; L215-V296 HydrophobicContact CD1-CB 4.45Å; L215-V296 HydrophobicContact CD1-CG1 3.96Å; L215-V296 HydrophobicContact CD2-CG1 4.2Å; F292-V296 HydrophobicContact CD1-CG2 4.44Å; F292-V296 HydrophobicContact CE1-CG2 4.08Å; F292-V296 HydrophobicContact CE2-CG2 4.22Å; F292-V296 HydrophobicContact CZ-CG2 3.97Å; F292-V296 WeakPolarHBondContact O-CG2 3.12Å; F292-V296 PolarHBondContact O-N 2.95Å; A293-V296 PolarHBondContact O-N 3.12Å; V296-H298 VanDerWaalsContact C-N 3.34Å; V296-H298 PolarHBondContact O-N 3.14Å; V296-R299 PolarHBondContact O-N 3.24Å; V296-M300 HydrophobicContact CG1-SD 4.28Å; V296-M300 WeakPolarHBondContact O-CG 3.1Å; V296-M300 PolarHBondContact O-N 3.42Å; V296-L356 HydrophobicContact CG2-CD1 4.31Å; V296-F359 HydrophobicContact CG2-CE1 4.24Å; V296-L389 HydrophobicContact CG1-CD2 3.68Å
297	K	90.8	Very high	89	Confident	87 Å²	87	53.4 Å²	53.4	38%	0.378	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-40.8	174.4	-172.3	174.7	-175.3	172.8	0	112.2	L215 A293 H294 Y295 M300 K301	L215-K297 HydrophobicContact CD1-CB 4.11Å; A293-K297 WeakPolarHBondContact O-CB 3.23Å; A293-K297 PolarHBondContact O-N 3.04Å; H294-K297 PolarHBondContact O-N 2.93Å; Y295-K297 VanDerWaalsContact C-N 3.29Å; Y295-K297 PolarHBondContact O-N 3Å; K297-M300 PolarHBondContact O-N 3.34Å; K297-K301 WeakPolarHBondContact O-CG 3.45Å; K297-K301 PolarHBondContact O-N 3.11Å
298	H	89.6	Confident	88.9	Confident	88 Å²	88	53.1 Å²	53.1	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-45.7	175.5	174.7	-81.6	0	0	0	111.3	H294 Y295 V296 M300 K301	H294-H298 WeakPolarHBondContact O-CB 3.44Å; H294-H298 PolarHBondContact O-N 3.33Å; Y295-H298 WeakPolarHBondContact O-CB 3.21Å; Y295-H298 PolarHBondContact O-N 3.47Å; Y295-H298 VanDerWaalsContact O-N 3.1Å; V296-H298 VanDerWaalsContact C-N 3.34Å; V296-H298 PolarHBondContact O-N 3.14Å; H298-M300 VanDerWaalsContact C-N 3.3Å; H298-M300 PolarHBondContact O-N 2.97Å; H298-K301 WeakPolarHBondContact O-CB 3.2Å; H298-K301 PolarHBondContact O-N 2.86Å; H298-K301 VanDerWaalsContact O-N 3.12Å
299	R	88	Confident	88.8	Confident	34 Å²	34	57.1 Å²	57.1	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-37.5	176.5	-67.6	-63.3	-59.6	-166.8	7.3	112.4	Y295 V296 K301 S302 E308 F313 D316 F374	Y295-R299 HydrophobicContact CD1-CG 4.09Å; Y295-R299 HydrophobicContact CD2-CG 4.48Å; Y295-R299 HydrophobicContact CE1-CG 3.52Å; Y295-R299 HydrophobicContact CE2-CG 4Å; Y295-R299 VanDerWaalsContact CZ-CG 3.48Å; Y295-R299 WeakPolarHBondContact O-CG 2.77Å; Y295-R299 PolarHBondContact O-N 2.92Å; Y295-R299 WeakPolarHBondContact OH-CD 3.2Å; V296-R299 PolarHBondContact O-N 3.24Å; R299-K301 PolarHBondContact O-N 3.28Å; R299-S302 WeakPolarHBondContact O-CB 3.49Å; R299-S302 PolarHBondContact O-N 2.97Å; R299-E308 IonicContact CZ-OE1 3.61Å; R299-E308 IonicContact CZ-OE2 3.54Å; R299-E308 IonicContact NH1-OE1 3.13Å; R299-E308 IonicContact NH2-OE1 2.72Å; R299-E308 PolarHBondContact NH2-OE1 2.98Å; R299-E308 IonicContact NH2-OE2 3.43Å; R299-E308 PolarHBondContact NH2-OE2 3.29Å; R299-F313 HydrophobicContact CG-CE2 4.41Å; R299-D316 IonicContact CZ-OD2 2.67Å; R299-D316 IonicContact NH1-OD2 3.36Å; R299-D316 PolarHBondContact NH1-OD2 2.81Å; R299-F374 HydrophobicContact CB-CE1 3.8Å; R299-F374 HydrophobicContact CB-CZ 4.47Å
300	M	87.1	Confident	88.7	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.069	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.5	176.3	-71.4	-175.5	72.8	0	0	114.6	L215 V296 K297 H298 S302 P387 L389	L215-M300 HydrophobicContact CD1-CG 4.47Å; L215-M300 HydrophobicContact CD1-SD 3.31Å; L215-M300 WeakPolarHBondContact CD1-SD 3.29Å; L215-M300 HydrophobicContact CG-SD 4.2Å; V296-M300 HydrophobicContact CG1-SD 4.28Å; V296-M300 WeakPolarHBondContact O-CG 3.1Å; V296-M300 PolarHBondContact O-N 3.42Å; K297-M300 PolarHBondContact O-N 3.34Å; H298-M300 VanDerWaalsContact C-N 3.3Å; H298-M300 PolarHBondContact O-N 2.97Å; M300-S302 VanDerWaalsContact C-N 3.27Å; M300-P387 HydrophobicContact CB-CB 4.33Å; M300-P387 VanDerWaalsContact CE-C 3.45Å; M300-P387 HydrophobicContact CE-CB 4.04Å; M300-P387 HydrophobicContact CE-CG 4.35Å; M300-P387 WeakPolarHBondContact CE-O 3.38Å; M300-P387 VanDerWaalsContact O-CB 3.28Å; M300-P387 WeakPolarHBondContact O-CB 3.41Å; M300-L389 HydrophobicContact CE-CB 4.5Å; M300-L389 HydrophobicContact CG-CB 4.13Å; M300-L389 HydrophobicContact SD-CB 4.14Å
301	K	85.4	Confident	88.7	Confident	150 Å²	150	56.7 Å²	56.7	65%	0.652	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.8	172.7	-71.6	177.5	-179.5	-177.4	0	113.1	K297 H298 R299 T303	K297-K301 WeakPolarHBondContact O-CG 3.45Å; K297-K301 PolarHBondContact O-N 3.11Å; H298-K301 WeakPolarHBondContact O-CB 3.2Å; H298-K301 PolarHBondContact O-N 2.86Å; H298-K301 VanDerWaalsContact O-N 3.12Å; R299-K301 PolarHBondContact O-N 3.28Å; K301-T303 PolarHBondContact O-N 3.27Å
302	S	82.7	Confident	88.6	Confident	47 Å²	47	54.8 Å²	54.8	33%	0.329	30%	0.298	S	S	.	.			trans	-58.1	131.7	176.1	-169.8	0	0	0	0	110.1	R299 M300 T304	R299-S302 WeakPolarHBondContact O-CB 3.49Å; R299-S302 PolarHBondContact O-N 2.97Å; M300-S302 VanDerWaalsContact C-N 3.27Å; S302-T304 VanDerWaalsContact C-N 3.33Å; S302-T304 PolarHBondContact OG-N 3.48Å; S302-T304 PolarHBondContact OG-OG1 2.88Å; S302-T304 VanDerWaalsContact OG-OG1 3.05Å
303	T	81.1	Confident	88.6	Confident	99 Å²	99	54.7 Å²	54.7	61%	0.607	30%	0.298	S	S	*	.			trans	-87.5	-8	176.4	52.5	0	0	0	0	112.6	K301 P376	K301-T303 PolarHBondContact O-N 3.27Å; T303-P376 WeakPolarHBondContact O-CG 3.36Å
304	T	83.2	Confident	88.5	Confident	82 Å²	82	55.2 Å²	55.2	50%	0.503	30%	0.299	S	S	.	.	S	Bend	trans	-97.2	140	178.2	56.5	0	0	0	0	110.4	S302 T306	S302-T304 VanDerWaalsContact C-N 3.33Å; S302-T304 PolarHBondContact OG-N 3.48Å; S302-T304 PolarHBondContact OG-OG1 2.88Å; S302-T304 VanDerWaalsContact OG-OG1 3.05Å; T304-T306 PolarHBondContact O-N 3.45Å
305	L	83.1	Confident	88.5	Confident	69 Å²	69	56.1 Å²	56.1	36%	0.361	30%	0.303	S	S	.	.			trans	-73.2	120.8	170.3	-168.4	153.7	0	0	0	108.5	F374 E375 R585	L305-F374 WeakPolarHBondContact CA-O 3.29Å; L305-E375 HydrophobicContact CD1-CG 4.35Å; L305-R585 HydrophobicContact CD1-CG 3.83Å; L305-R585 HydrophobicContact CD2-CB 4.48Å; L305-R585 HydrophobicContact CD2-CG 3.7Å; L305-R585 HydrophobicContact CG-CG 4.37Å
306	T	86.6	Confident	88.5	Confident	35 Å²	35	57.2 Å²	57.2	22%	0.215	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.2	179	60	0	0	0	0	111.3	T304 F374	T304-T306 PolarHBondContact O-N 3.45Å; T306-F374 PolarHBondContact N-O 2.7Å; T306-F374 PolarHBondContact O-N 3.29Å; T306-F374 WeakPolarHBondContact OG1-CD2 3.46Å
307	V	87.3	Confident	88.5	Confident	69 Å²	69	57.2 Å²	57.2	42%	0.418	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.1	171	-178.9	0	0	0	0	106.9	L372 L373	V307-L372 WeakPolarHBondContact CA-O 3.35Å; V307-L373 HydrophobicContact CG2-CD2 4.17Å; V307-L373 HydrophobicContact CG2-CG 4.41Å
308	E	89.2	Confident	88.5	Confident	39 Å²	39	55.5 Å²	55.5	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.8	-176.7	-66.2	-175.5	166.3	0	0	111.4	R299 L372 F374	R299-E308 IonicContact CZ-OE1 3.61Å; R299-E308 IonicContact CZ-OE2 3.54Å; R299-E308 IonicContact NH1-OE1 3.13Å; R299-E308 IonicContact NH2-OE1 2.72Å; R299-E308 PolarHBondContact NH2-OE1 2.98Å; R299-E308 IonicContact NH2-OE2 3.43Å; R299-E308 PolarHBondContact NH2-OE2 3.29Å; E308-L372 HydrophobicContact CB-CB 4.49Å; E308-L372 PolarHBondContact N-O 3.06Å; E308-L372 PolarHBondContact O-N 2.8Å; E308-F374 HydrophobicContact CB-CE2 4.4Å; E308-F374 HydrophobicContact CG-CE2 4.3Å; E308-F374 WeakPolarHBondContact OE2-CE2 3.44Å
309	N	89.7	Confident	88.7	Confident	90 Å²	90	56.1 Å²	56.1	48%	0.481	32%	0.318	S	S	.	.			trans	-77.4	138.1	169.2	-175.2	-29.9	0	0	0	108.9	A311 S312 F313	N309-A311 PolarHBondContact O-N 3.41Å; N309-A311 PolarHBondContact OD1-N 3.26Å; N309-S312 WeakPolarHBondContact O-CB 3.41Å; N309-S312 PolarHBondContact O-N 2.83Å; N309-F313 PolarHBondContact O-N 3.32Å
310	P	91.6	Very high	88.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-47.8	-34.2	175.4	-31.5	36.1	0	0	0	115	S312 F313 L314 F370 F391	P310-S312 PolarHBondContact O-N 2.96Å; P310-F313 PolarHBondContact O-N 3.02Å; P310-L314 WeakPolarHBondContact O-CG 3.45Å; P310-L314 PolarHBondContact O-N 3.43Å; P310-F370 WeakPolarHBondContact CD-O 3.48Å; P310-F370 HydrophobicContact CG-CB 3.95Å; P310-F391 HydrophobicContact CB-CE2 4.33Å; P310-F391 HydrophobicContact CG-CD2 4.44Å; P310-F391 HydrophobicContact CG-CE2 3.69Å
311	A	91.2	Very high	88.9	Confident	54 Å²	54	62.3 Å²	62.3	45%	0.446	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-39.1	176.6	0	0	0	0	0	113	N309 H315	N309-A311 PolarHBondContact O-N 3.41Å; N309-A311 PolarHBondContact OD1-N 3.26Å; A311-H315 PolarHBondContact O-N 3.46Å
312	S	91.5	Very high	89.2	Confident	64 Å²	64	58.8 Å²	58.8	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-68.5	-40.6	177.1	-179.7	0	0	0	0	111.1	N309 P310 H315 D316	N309-S312 WeakPolarHBondContact O-CB 3.41Å; N309-S312 PolarHBondContact O-N 2.83Å; P310-S312 PolarHBondContact O-N 2.96Å; S312-H315 PolarHBondContact O-N 3.27Å; S312-D316 PolarHBondContact O-N 3.5Å
313	F	92.1	Very high	89.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-44	175.3	-179.3	-97.7	0	0	0	112.4	Y295 R299 N309 P310 H315 D316 I317 F359 V363 L372 F374	Y295-F313 HydrophobicContact CD1-CZ 4.32Å; Y295-F313 HydrophobicContact CE1-CD2 4.22Å; Y295-F313 HydrophobicContact CE1-CE1 4.37Å; Y295-F313 AromaticContact CE1-CE2 3.55Å; Y295-F313 HydrophobicContact CE1-CE2 3.55Å; Y295-F313 AromaticContact CE1-CZ 3.64Å; Y295-F313 HydrophobicContact CE1-CZ 3.64Å; R299-F313 HydrophobicContact CG-CE2 4.41Å; N309-F313 PolarHBondContact O-N 3.32Å; P310-F313 PolarHBondContact O-N 3.02Å; F313-H315 VanDerWaalsContact C-N 3.31Å; F313-H315 PolarHBondContact O-N 3.43Å; F313-D316 PolarHBondContact O-N 3.01Å; F313-I317 HydrophobicContact CD1-CD1 3.5Å; F313-I317 VanDerWaalsContact CD1-CD1 3.5Å; F313-I317 HydrophobicContact CD1-CG1 4.38Å; F313-I317 HydrophobicContact CE1-CD1 3.15Å; F313-I317 HydrophobicContact CE1-CG1 4.24Å; F313-I317 HydrophobicContact CE2-CD1 4.5Å; F313-I317 HydrophobicContact CG-CD1 4.33Å; F313-I317 HydrophobicContact CZ-CD1 3.73Å; F313-I317 WeakPolarHBondContact O-CG1 3.18Å; F313-I317 PolarHBondContact O-N 3.34Å; F313-F359 HydrophobicContact CE1-CE1 4.1Å; F313-F359 HydrophobicContact CE1-CZ 4.14Å; F313-F359 AromaticContact CZ-CE1 3.98Å; F313-F359 HydrophobicContact CZ-CE1 3.98Å; F313-F359 AromaticContact CZ-CZ 3.95Å; F313-F359 HydrophobicContact CZ-CZ 3.95Å; F313-V363 HydrophobicContact CD1-CG1 3.58Å; F313-V363 HydrophobicContact CE1-CG1 3.87Å; F313-L372 HydrophobicContact CB-CD1 3.34Å; F313-L372 HydrophobicContact CD1-CD1 3.73Å; F313-L372 HydrophobicContact CD2-CD1 3.75Å; F313-L372 HydrophobicContact CE1-CD1 4.36Å; F313-L372 HydrophobicContact CE2-CD1 4.4Å; F313-L372 HydrophobicContact CG-CD1 3.35Å; F313-F374 AromaticContact CD2-CZ 3.97Å; F313-F374 HydrophobicContact CD2-CZ 3.97Å; F313-F374 AromaticContact CE2-CZ 3.92Å; F313-F374 HydrophobicContact CE2-CZ 3.92Å
314	L	92.1	Very high	89.8	Confident	23 Å²	23	57 Å²	57	12%	0.12	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-37.1	175.3	-72.3	173.7	0	0	0	112.3	P310 S318 R325 L328 V363	P310-L314 WeakPolarHBondContact O-CG 3.45Å; P310-L314 PolarHBondContact O-N 3.43Å; L314-S318 PolarHBondContact O-N 3.41Å; L314-S318 VanDerWaalsContact O-N 3.08Å; L314-R325 HydrophobicContact CD1-CG 4.24Å; L314-L328 HydrophobicContact CD2-CD1 3.75Å; L314-V363 HydrophobicContact CD2-CG1 4.06Å; L314-V363 HydrophobicContact CG-CG1 4.2Å
315	H	92.4	Very high	90	Very high	130 Å²	130	58.9 Å²	58.9	60%	0.602	32%	0.323	S	S	*	.	H	α-helix	trans	-65.5	-46.2	174.7	-177.4	65	0	0	0	111.7	A311 S312 F313 I317 S318 V319	A311-H315 PolarHBondContact O-N 3.46Å; S312-H315 PolarHBondContact O-N 3.27Å; F313-H315 VanDerWaalsContact C-N 3.31Å; F313-H315 PolarHBondContact O-N 3.43Å; H315-I317 VanDerWaalsContact C-N 3.33Å; H315-I317 PolarHBondContact O-N 3.44Å; H315-S318 PolarHBondContact O-N 3.13Å; H315-V319 WeakPolarHBondContact O-CG2 3.42Å; H315-V319 PolarHBondContact O-N 2.87Å
316	D	92	Very high	90.2	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-38.3	177.7	-172.5	62.1	0	0	0	112	Y295 R299 S312 F313 V319 R320	Y295-D316 WeakPolarHBondContact CE2-OD2 3.05Å; Y295-D316 PolarHBondContact OH-OD2 3.2Å; R299-D316 IonicContact CZ-OD2 2.67Å; R299-D316 IonicContact NH1-OD2 3.36Å; R299-D316 PolarHBondContact NH1-OD2 2.81Å; S312-D316 PolarHBondContact O-N 3.5Å; F313-D316 PolarHBondContact O-N 3.01Å; D316-V319 PolarHBondContact O-N 3.02Å; D316-R320 WeakPolarHBondContact O-CB 3.38Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 IonicContact OD1-CZ 4Å; D316-R320 VanDerWaalsContact OD1-CZ 3.28Å; D316-R320 IonicContact OD1-NE 3.71Å; D316-R320 PolarHBondContact OD1-NE 2.71Å; D316-R320 IonicContact OD1-NH2 3.62Å; D316-R320 PolarHBondContact OD1-NH2 3.32Å; D316-R320 IonicContact OD2-CZ 3.5Å; D316-R320 IonicContact OD2-NE 2.78Å; D316-R320 PolarHBondContact OD2-NE 3.19Å; D316-R320 IonicContact OD2-NH2 3.63Å
317	I	92.2	Very high	90.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-48.1	172.9	-74.7	172.5	0	0	0	111.5	F292 Y295 F313 H315 V319 M321 I323	F292-I317 HydrophobicContact CE2-CD1 3.94Å; Y295-I317 HydrophobicContact CD1-CD1 3.95Å; Y295-I317 HydrophobicContact CD1-CG1 3.53Å; Y295-I317 HydrophobicContact CD2-CG1 4.33Å; Y295-I317 HydrophobicContact CE1-CB 4.41Å; Y295-I317 HydrophobicContact CE1-CD1 3.59Å; Y295-I317 HydrophobicContact CE1-CG1 3.06Å; Y295-I317 HydrophobicContact CE2-CG1 3.94Å; Y295-I317 HydrophobicContact CG-CG1 4.15Å; F313-I317 HydrophobicContact CD1-CD1 3.5Å; F313-I317 VanDerWaalsContact CD1-CD1 3.5Å; F313-I317 HydrophobicContact CD1-CG1 4.38Å; F313-I317 HydrophobicContact CE1-CD1 3.15Å; F313-I317 HydrophobicContact CE1-CG1 4.24Å; F313-I317 HydrophobicContact CE2-CD1 4.5Å; F313-I317 HydrophobicContact CG-CD1 4.33Å; F313-I317 HydrophobicContact CZ-CD1 3.73Å; F313-I317 WeakPolarHBondContact O-CG1 3.18Å; F313-I317 PolarHBondContact O-N 3.34Å; H315-I317 VanDerWaalsContact C-N 3.33Å; H315-I317 PolarHBondContact O-N 3.44Å; I317-V319 VanDerWaalsContact C-N 3.31Å; I317-V319 PolarHBondContact O-N 3.37Å; I317-M321 WeakPolarHBondContact O-CB 3.28Å; I317-M321 PolarHBondContact O-N 2.98Å; I317-I323 HydrophobicContact CG2-CB 3.59Å; I317-I323 HydrophobicContact CG2-CG2 3.81Å
318	S	91.5	Very high	90.3	Very high	51 Å²	51	56.1 Å²	56.1	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-43.2	-178.3	178.2	0	0	0	0	110.7	L314 H315 A322 I323	L314-S318 PolarHBondContact O-N 3.41Å; L314-S318 VanDerWaalsContact O-N 3.08Å; H315-S318 PolarHBondContact O-N 3.13Å; S318-A322 VanDerWaalsContact O-CA 3.24Å; S318-A322 WeakPolarHBondContact O-CA 2.98Å; S318-A322 PolarHBondContact O-N 2.79Å; S318-A322 VanDerWaalsContact O-N 3.1Å; S318-I323 WeakPolarHBondContact CA-O 3.43Å
319	V	92.4	Very high	90.1	Very high	102 Å²	102	57 Å²	57	62%	0.618	30%	0.302	S	S	*	.	H	α-helix	trans	-69.2	-44.8	-179.4	174.6	0	0	0	0	112.4	H315 D316 I317	H315-V319 WeakPolarHBondContact O-CG2 3.42Å; H315-V319 PolarHBondContact O-N 2.87Å; D316-V319 PolarHBondContact O-N 3.02Å; I317-V319 VanDerWaalsContact C-N 3.31Å; I317-V319 PolarHBondContact O-N 3.37Å
320	R	91.2	Very high	89.9	Confident	133 Å²	133	52.8 Å²	52.8	50%	0.502	28%	0.279	S	S	.	.	H	α-helix	trans	-84.7	-35.3	-173.4	-64.6	-169.9	-159.9	-150	3.4	114.5	D316	D316-R320 WeakPolarHBondContact O-CB 3.38Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 IonicContact OD1-CZ 4Å; D316-R320 VanDerWaalsContact OD1-CZ 3.28Å; D316-R320 IonicContact OD1-NE 3.71Å; D316-R320 PolarHBondContact OD1-NE 2.71Å; D316-R320 IonicContact OD1-NH2 3.62Å; D316-R320 PolarHBondContact OD1-NH2 3.32Å; D316-R320 IonicContact OD2-CZ 3.5Å; D316-R320 IonicContact OD2-NE 2.78Å; D316-R320 PolarHBondContact OD2-NE 3.19Å; D316-R320 IonicContact OD2-NH2 3.63Å
321	M	89.2	Confident	89.7	Confident	44 Å²	44	52.8 Å²	52.8	22%	0.217	28%	0.279	C	S	.	.	H	α-helix	trans	-116.9	-2.6	-170.7	-60	-62.1	-60.3	0	0	113.7	R291 Y295 I317 I323	R291-M321 HydrophobicContact CB-CE 3.69Å; R291-M321 HydrophobicContact CG-CE 3.95Å; R291-M321 WeakPolarHBondContact O-CE 3.17Å; Y295-M321 HydrophobicContact CD2-CG 3.71Å; Y295-M321 HydrophobicContact CG-CG 4.06Å; I317-M321 WeakPolarHBondContact O-CB 3.28Å; I317-M321 PolarHBondContact O-N 2.98Å; M321-I323 HydrophobicContact CB-CD1 4Å; M321-I323 HydrophobicContact CB-CG1 4.15Å; M321-I323 PolarHBondContact O-N 3.13Å
322	A	90.2	Very high	89.4	Confident	76 Å²	76	50.5 Å²	50.5	63%	0.628	26%	0.261	S	S	*	.			trans	51.8	41.7	-173.8	0	0	0	0	0	112.4	S318	S318-A322 VanDerWaalsContact O-CA 3.24Å; S318-A322 WeakPolarHBondContact O-CA 2.98Å; S318-A322 PolarHBondContact O-N 2.79Å; S318-A322 VanDerWaalsContact O-N 3.1Å
323	I	88.7	Confident	88.8	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.243	C	C	.	.			trans	-103.4	118.7	174.9	-71.2	169.5	0	0	0	109	F288 R291 F292 I317 S318 M321 L328	F288-I323 HydrophobicContact CD2-CD1 4.46Å; F288-I323 HydrophobicContact CD2-CG1 4.28Å; F288-I323 HydrophobicContact CE2-CB 4.32Å; F288-I323 HydrophobicContact CE2-CD1 4.23Å; F288-I323 HydrophobicContact CE2-CG1 3.97Å; F288-I323 HydrophobicContact CE2-CG2 3.54Å; F288-I323 HydrophobicContact CZ-CG2 3.92Å; R291-I323 HydrophobicContact CB-CD1 4.12Å; F292-I323 HydrophobicContact CB-CD1 4.31Å; I317-I323 HydrophobicContact CG2-CB 3.59Å; I317-I323 HydrophobicContact CG2-CG2 3.81Å; S318-I323 WeakPolarHBondContact CA-O 3.43Å; M321-I323 HydrophobicContact CB-CD1 4Å; M321-I323 HydrophobicContact CB-CG1 4.15Å; M321-I323 PolarHBondContact O-N 3.13Å; I323-L328 HydrophobicContact CG2-CD1 3.9Å; I323-L328 HydrophobicContact CG2-CD2 4.07Å; I323-L328 HydrophobicContact CG2-CG 3.79Å
324	D	88.2	Confident	88.5	Confident	104 Å²	104	48.4 Å²	48.4	56%	0.556	24%	0.244	S	C	*	.			trans	-76.4	159.1	176.1	-64.4	-38.5	0	0	0	112.6	K326 P327	D324-K326 VanDerWaalsContact C-N 3.33Å; D324-K326 PolarHBondContact O-N 3.09Å; D324-P327 HydrophobicContact CB-CG 4.42Å; D324-P327 WeakPolarHBondContact O-CD 3.42Å
325	R	87.6	Confident	88.3	Confident	123 Å²	123	47.5 Å²	47.5	46%	0.464	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-37.8	176	-177.3	180	176.3	177.1	0.6	112.8	L314 L328 R329 S364	L314-R325 HydrophobicContact CD1-CG 4.24Å; R325-L328 PolarHBondContact O-N 2.68Å; R325-R329 PolarHBondContact O-N 2.94Å; R325-S364 VanDerWaalsContact CZ-O 3.23Å; R325-S364 PolarHBondContact NE-O 3.29Å; R325-S364 PolarHBondContact NH2-O 3.43Å
326	K	87.1	Confident	87.7	Confident	105 Å²	105	42.9 Å²	42.9	46%	0.457	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-49.3	-171.7	-173	174.9	-176.1	155.3	0	112.7	E273 P276 D324 L328 R329 F330	E273-K326 WeakPolarHBondContact OE2-CE 3.26Å; E273-K326 IonicContact OE2-NZ 3.09Å; E273-K326 PolarHBondContact OE2-NZ 2.82Å; P276-K326 HydrophobicContact CG-CD 4.33Å; P276-K326 HydrophobicContact CG-CG 3.91Å; D324-K326 VanDerWaalsContact C-N 3.33Å; D324-K326 PolarHBondContact O-N 3.09Å; K326-L328 VanDerWaalsContact C-N 3.32Å; K326-L328 PolarHBondContact O-N 3.27Å; K326-R329 WeakPolarHBondContact O-CB 3.35Å; K326-R329 PolarHBondContact O-N 2.88Å; K326-R329 VanDerWaalsContact O-N 3.15Å; K326-F330 HydrophobicContact CG-CE2 3.98Å; K326-F330 VanDerWaalsContact O-CD2 3.3Å; K326-F330 WeakPolarHBondContact O-CD2 3.36Å
327	P	88.3	Confident	87.2	Confident	7 Å²	7	42.4 Å²	42.4	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-38.1	174.1	-28.1	36.2	0	0	0	114.8	P276 I279 F288 D324 R329 F330	P276-P327 HydrophobicContact CB-CG 4.38Å; I279-P327 HydrophobicContact CG2-CB 4.12Å; F288-P327 HydrophobicContact CE2-CB 3.76Å; F288-P327 HydrophobicContact CZ-CB 3.84Å; D324-P327 HydrophobicContact CB-CG 4.42Å; D324-P327 WeakPolarHBondContact O-CD 3.42Å; P327-R329 PolarHBondContact O-N 3.11Å; P327-F330 PolarHBondContact O-N 2.95Å
328	L	88.5	Confident	86.8	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-31.4	178.2	-71	169.7	0	0	0	112.5	F288 F292 L314 I323 R325 K326 C331 A360 T361	F288-L328 HydrophobicContact CE1-CD2 4.19Å; F288-L328 HydrophobicContact CZ-CD2 3.67Å; F288-L328 HydrophobicContact CZ-CG 4.03Å; F292-L328 HydrophobicContact CD2-CD2 3.67Å; F292-L328 HydrophobicContact CE2-CD2 3.64Å; F292-L328 HydrophobicContact CG-CD2 4.23Å; F292-L328 HydrophobicContact CZ-CD2 4.19Å; L314-L328 HydrophobicContact CD2-CD1 3.75Å; I323-L328 HydrophobicContact CG2-CD1 3.9Å; I323-L328 HydrophobicContact CG2-CD2 4.07Å; I323-L328 HydrophobicContact CG2-CG 3.79Å; R325-L328 PolarHBondContact O-N 2.68Å; K326-L328 VanDerWaalsContact C-N 3.32Å; K326-L328 PolarHBondContact O-N 3.27Å; L328-C331 WeakPolarHBondContact O-CB 3.27Å; L328-C331 PolarHBondContact O-N 2.73Å; L328-A360 HydrophobicContact CD2-CB 3.93Å; L328-A360 CarbonylContact O-C 3.53Å; L328-T361 WeakPolarHBondContact O-CA 3.26Å; L328-T361 PolarHBondContact O-N 3.48Å
329	R	85.6	Confident	86.5	Confident	56 Å²	56	40.2 Å²	40.2	21%	0.211	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-37.3	-178.3	-153.2	171.7	-169.6	-169.8	3.1	112.9	L266 V270 R325 K326 P327 C331 T361 S364	L266-R329 HydrophobicContact CD2-CG 3.58Å; V270-R329 HydrophobicContact CG1-CG 4.25Å; V270-R329 VanDerWaalsContact CG2-NH2 3.3Å; R325-R329 PolarHBondContact O-N 2.94Å; K326-R329 WeakPolarHBondContact O-CB 3.35Å; K326-R329 PolarHBondContact O-N 2.88Å; K326-R329 VanDerWaalsContact O-N 3.15Å; P327-R329 PolarHBondContact O-N 3.11Å; R329-C331 VanDerWaalsContact C-N 3.34Å; R329-T361 WeakPolarHBondContact O-CG2 3.28Å; R329-T361 PolarHBondContact O-OG1 3Å; R329-S364 WeakPolarHBondContact CA-OG 3.3Å; R329-S364 PolarHBondContact N-OG 2.68Å
330	F	85.5	Confident	85.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6	-179.7	-61.9	-82.2	0	0	0	113.7	V270 E273 P276 I279 K326 P327 A332 E333 R334	V270-F330 HydrophobicContact CG1-CE1 3.97Å; V270-F330 HydrophobicContact CG1-CZ 3.8Å; E273-F330 HydrophobicContact CB-CE1 4.26Å; E273-F330 HydrophobicContact CB-CZ 3.76Å; P276-F330 HydrophobicContact CG-CD2 3.71Å; P276-F330 HydrophobicContact CG-CE2 4.02Å; I279-F330 HydrophobicContact CD1-CB 3.98Å; K326-F330 HydrophobicContact CG-CE2 3.98Å; K326-F330 VanDerWaalsContact O-CD2 3.3Å; K326-F330 WeakPolarHBondContact O-CD2 3.36Å; P327-F330 PolarHBondContact O-N 2.95Å; F330-A332 PolarHBondContact O-N 3.01Å; F330-E333 PolarHBondContact O-N 3.08Å; F330-R334 WeakPolarHBondContact O-CB 3.35Å; F330-R334 PolarHBondContact O-N 3.31Å
331	C	87.5	Confident	85.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-45.5	-170.3	-162.3	0	0	0	0	113.1	M289 L328 R329 R334 L335 A360	M289-C331 PolarHBondContact SD-SG 3.34Å; L328-C331 WeakPolarHBondContact O-CB 3.27Å; L328-C331 PolarHBondContact O-N 2.73Å; R329-C331 VanDerWaalsContact C-N 3.34Å; C331-R334 PolarHBondContact O-N 3.17Å; C331-L335 WeakPolarHBondContact O-CB 3.47Å; C331-L335 PolarHBondContact O-N 2.87Å; C331-A360 HydrophobicContact CB-CB 4.02Å
332	A	84.6	Confident	85	Confident	7 Å²	7	30 Å²	30	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-42.6	177.7	0	0	0	0	0	113	F330 L335 S336 T361	F330-A332 PolarHBondContact O-N 3.01Å; A332-L335 PolarHBondContact O-N 3.13Å; A332-S336 WeakPolarHBondContact O-CB 3.43Å; A332-S336 PolarHBondContact O-N 3.38Å; A332-T361 WeakPolarHBondContact CB-OG1 3.44Å; A332-T361 PolarHBondContact N-OG1 2.99Å
333	E	78.7	Confident	84.4	Confident	18 Å²	18	29 Å²	29	8%	0.084	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-45	176.7	-68.7	-73	-175.5	0	0	112	R255 N263 F330 L335 S336 S337	R255-E333 IonicContact CZ-OE1 3.94Å; R255-E333 IonicContact CZ-OE2 2.99Å; R255-E333 IonicContact NH1-OE1 2.95Å; R255-E333 IonicContact NH2-OE1 3.76Å; R255-E333 PolarHBondContact NH2-OE1 3.35Å; R255-E333 IonicContact NH2-OE2 3.28Å; R255-E333 PolarHBondContact NH2-OE2 3.34Å; N263-E333 HydrophobicContact CB-CG 4.12Å; N263-E333 WeakPolarHBondContact CB-OE1 3.39Å; N263-E333 VanDerWaalsContact ND2-CD 3.29Å; N263-E333 WeakPolarHBondContact ND2-CG 2.98Å; N263-E333 PolarHBondContact ND2-OE1 3.12Å; F330-E333 PolarHBondContact O-N 3.08Å; E333-L335 VanDerWaalsContact C-N 3.32Å; E333-L335 PolarHBondContact O-N 2.87Å; E333-S336 PolarHBondContact O-N 2.96Å; E333-S337 WeakPolarHBondContact O-CB 3.36Å; E333-S337 PolarHBondContact O-N 3.39Å
334	R	85.4	Confident	83.8	Confident	2 Å²	2	30 Å²	30	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-41.2	179.9	-179.2	62.4	-171.1	111.3	-17.6	111.2	E240 I279 R280 F285 F330 C331 S337 L338	E240-R334 IonicContact OE1-CZ 2.82Å; E240-R334 IonicContact OE1-NH1 3.76Å; E240-R334 PolarHBondContact OE1-NH1 3.45Å; E240-R334 IonicContact OE1-NH2 3.09Å; E240-R334 IonicContact OE2-CZ 2.74Å; E240-R334 IonicContact OE2-NH1 2.74Å; E240-R334 PolarHBondContact OE2-NH1 3.35Å; E240-R334 VanDerWaalsContact OE2-NH1 3.09Å; E240-R334 IonicContact OE2-NH2 3.35Å; E240-R334 PolarHBondContact OE2-NH2 2.81Å; I279-R334 HydrophobicContact CD1-CB 4.36Å; I279-R334 WeakPolarHBondContact O-CD 3.44Å; I279-R334 PolarHBondContact O-NE 3.22Å; R280-R334 PolarHBondContact O-NE 2.96Å; R280-R334 PolarHBondContact O-NH2 3.11Å; F285-R334 HydrophobicContact CB-CG 4.3Å; F285-R334 HydrophobicContact CD1-CG 3.96Å; F285-R334 HydrophobicContact CD2-CB 4.12Å; F285-R334 HydrophobicContact CD2-CG 3.43Å; F285-R334 VanDerWaalsContact CD2-CG 3.43Å; F285-R334 HydrophobicContact CE1-CG 4.1Å; F285-R334 HydrophobicContact CE2-CB 3.78Å; F285-R334 HydrophobicContact CE2-CG 3.59Å; F285-R334 HydrophobicContact CG-CG 3.61Å; F285-R334 HydrophobicContact CZ-CB 4.05Å; F285-R334 HydrophobicContact CZ-CG 3.92Å; F330-R334 WeakPolarHBondContact O-CB 3.35Å; F330-R334 PolarHBondContact O-N 3.31Å; C331-R334 PolarHBondContact O-N 3.17Å; R334-S337 PolarHBondContact O-N 2.9Å; R334-L338 WeakPolarHBondContact O-CB 3.43Å; R334-L338 PolarHBondContact O-N 3.3Å
335	L	87.4	Confident	82.7	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-46.3	175.3	-177.7	64.8	0	0	0	111.3	L225 F285 C331 A332 E333 S337 L338 L339 L353 I354 S357	L225-L335 HydrophobicContact CD1-CD1 4.47Å; F285-L335 HydrophobicContact CE1-CB 4.13Å; F285-L335 HydrophobicContact CE1-CD1 4.09Å; F285-L335 HydrophobicContact CZ-CB 3.95Å; C331-L335 WeakPolarHBondContact O-CB 3.47Å; C331-L335 PolarHBondContact O-N 2.87Å; A332-L335 PolarHBondContact O-N 3.13Å; E333-L335 VanDerWaalsContact C-N 3.32Å; E333-L335 PolarHBondContact O-N 2.87Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 3.07Å; L335-L338 PolarHBondContact O-N 2.81Å; L335-L339 HydrophobicContact CD1-CD1 4.37Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 4.08Å; L335-L339 HydrophobicContact CG-CG 4.32Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.48Å; L335-L353 HydrophobicContact CD1-CD2 3.7Å; L335-L353 HydrophobicContact CD1-CG 4.11Å; L335-L353 HydrophobicContact CD2-CD2 4.36Å; L335-L353 HydrophobicContact CD2-CG 3.89Å; L335-I354 HydrophobicContact CD2-CG1 4.01Å; L335-S357 WeakPolarHBondContact CD2-OG 3.42Å
336	S	80.9	Confident	81.9	Confident	33 Å²	33	23 Å²	23	23%	0.231	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-43	178	-173.6	0	0	0	0	111.8	A332 E333 R340	A332-S336 WeakPolarHBondContact O-CB 3.43Å; A332-S336 PolarHBondContact O-N 3.38Å; E333-S336 PolarHBondContact O-N 2.96Å; S336-R340 PolarHBondContact O-N 2.83Å; S336-R340 VanDerWaalsContact O-N 3.17Å
337	S	80.4	Confident	81.4	Confident	18 Å²	18	19.1 Å²	19.1	13%	0.126	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-46.9	173.1	-174.2	0	0	0	0	111.9	E240 E333 R334 L335 R340 T341	E240-S337 VanDerWaalsContact OE1-C 3.27Å; E240-S337 PolarHBondContact OE1-OG 2.86Å; E333-S337 WeakPolarHBondContact O-CB 3.36Å; E333-S337 PolarHBondContact O-N 3.39Å; R334-S337 PolarHBondContact O-N 2.9Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 3.07Å; S337-R340 PolarHBondContact O-N 3.22Å; S337-T341 PolarHBondContact O-N 2.91Å; S337-T341 PolarHBondContact O-OG1 3.01Å
338	L	84.7	Confident	80.9	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-48.1	-179	-176.7	62.6	0	0	0	111.3	I229 E240 A282 F285 R334 L335 R340 T341 L342	I229-L338 HydrophobicContact CD1-CD1 4.38Å; I229-L338 HydrophobicContact CD1-CD2 4.3Å; E240-L338 PolarHBondContact OE1-N 2.71Å; A282-L338 HydrophobicContact CB-CD1 3.96Å; F285-L338 HydrophobicContact CD1-CD2 3.9Å; F285-L338 HydrophobicContact CE1-CD2 4.24Å; R334-L338 WeakPolarHBondContact O-CB 3.43Å; R334-L338 PolarHBondContact O-N 3.3Å; L335-L338 PolarHBondContact O-N 2.81Å; L338-R340 PolarHBondContact O-N 3.22Å; L338-T341 PolarHBondContact O-N 3.05Å; L338-T341 VanDerWaalsContact O-N 3.11Å; L338-L342 HydrophobicContact CD1-CD1 4.07Å; L338-L342 HydrophobicContact CD1-CG 4.09Å; L338-L342 HydrophobicContact CG-CD1 3.9Å; L338-L342 HydrophobicContact CG-CG 4.29Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.47Å
339	L	83.8	Confident	80.7	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-34.3	179.5	-69.1	176.1	0	0	0	112.3	L225 L335 L344 F350 I354	L225-L339 HydrophobicContact CD2-CD2 3.94Å; L335-L339 HydrophobicContact CD1-CD1 4.37Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 4.08Å; L335-L339 HydrophobicContact CG-CG 4.32Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.48Å; L339-L344 HydrophobicContact CD2-CD1 3.67Å; L339-L344 PolarHBondContact O-N 2.96Å; L339-F350 HydrophobicContact CD1-CB 4.47Å; L339-F350 HydrophobicContact CD2-CB 4.37Å; L339-F350 HydrophobicContact CD2-CD1 4.39Å; L339-F350 HydrophobicContact CD2-CD2 4.19Å; L339-F350 HydrophobicContact CD2-CG 4.03Å; L339-I354 HydrophobicContact CD1-CD1 4.27Å; L339-I354 HydrophobicContact CD1-CG1 4.28Å
340	R	77	Confident	80.8	Confident	46 Å²	46	23.7 Å²	23.7	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-72.3	-41.1	174.6	-176.8	-179.6	61.4	-165.4	-4.7	112.1	S336 S337 L338 L342 E343	S336-R340 PolarHBondContact O-N 2.83Å; S336-R340 VanDerWaalsContact O-N 3.17Å; S337-R340 PolarHBondContact O-N 3.22Å; L338-R340 PolarHBondContact O-N 3.22Å; R340-L342 VanDerWaalsContact C-N 3.3Å; R340-E343 PolarHBondContact O-N 3.09Å
341	T	81.7	Confident	80.8	Confident	14 Å²	14	27.5 Å²	27.5	9%	0.086	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-39.9	177.6	-57.2	0	0	0	0	110.9	L237 E240 S337 L338 E343	L237-T341 HydrophobicContact CD2-CG2 4.23Å; E240-T341 HydrophobicContact CB-CG2 3.93Å; E240-T341 HydrophobicContact CG-CG2 4.43Å; E240-T341 PolarHBondContact OE1-OG1 3.31Å; S337-T341 PolarHBondContact O-N 2.91Å; S337-T341 PolarHBondContact O-OG1 3.01Å; L338-T341 PolarHBondContact O-N 3.05Å; L338-T341 VanDerWaalsContact O-N 3.11Å; T341-E343 PolarHBondContact O-N 3.33Å
342	L	82.3	Confident	81	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	5.3	177.9	-61.4	176.6	0	0	0	114.2	L225 I229 E232 L338 R340 L344	L225-L342 HydrophobicContact CD2-CD1 3.74Å; I229-L342 HydrophobicContact CD1-CD1 4.46Å; I229-L342 HydrophobicContact CG1-CD1 4.12Å; I229-L342 HydrophobicContact CG1-CD2 3.83Å; E232-L342 HydrophobicContact CG-CD2 4.4Å; E232-L342 WeakPolarHBondContact OE1-CA 3.39Å; E232-L342 VanDerWaalsContact OE1-O 3.05Å; E232-L342 WeakPolarHBondContact OE2-CD2 3.38Å; L338-L342 HydrophobicContact CD1-CD1 4.07Å; L338-L342 HydrophobicContact CD1-CG 4.09Å; L338-L342 HydrophobicContact CG-CD1 3.9Å; L338-L342 HydrophobicContact CG-CG 4.29Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.47Å; R340-L342 VanDerWaalsContact C-N 3.3Å; L342-L344 HydrophobicContact CB-CD1 3.97Å; L342-L344 HydrophobicContact CB-CG 3.9Å; L342-L344 HydrophobicContact CD1-CD1 4.14Å; L342-L344 PolarHBondContact O-N 3.2Å
343	E	79	Confident	81.4	Confident	55 Å²	55	27.8 Å²	27.8	26%	0.257	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	35.2	178.3	-61	-179.2	169.4	0	0	114.6	F100 K104 Q236 R340 T341 A345	F100-E343 HydrophobicContact CB-CB 4.42Å; F100-E343 HydrophobicContact CB-CG 3.89Å; F100-E343 HydrophobicContact CD2-CB 3.7Å; F100-E343 HydrophobicContact CD2-CG 4.13Å; F100-E343 HydrophobicContact CE2-CB 4.04Å; F100-E343 WeakPolarHBondContact CE2-O 3.3Å; F100-E343 HydrophobicContact CG-CB 4.02Å; F100-E343 HydrophobicContact CG-CG 3.99Å; K104-E343 WeakPolarHBondContact CE-OE2 3.43Å; K104-E343 IonicContact NZ-OE2 3.92Å; K104-E343 PolarHBondContact NZ-OE2 3.25Å; Q236-E343 PolarHBondContact NE2-OE1 3.06Å; R340-E343 PolarHBondContact O-N 3.09Å; T341-E343 PolarHBondContact O-N 3.33Å; E343-A345 PolarHBondContact O-N 2.97Å; E343-A345 VanDerWaalsContact O-N 3.17Å
344	L	76.6	Confident	81.9	Confident	23 Å²	23	28 Å²	28	12%	0.12	15%	0.148	C	C	.	.			trans	-75.4	109.6	-176.3	-68.3	168.6	0	0	0	110	L225 L339 L342 F350	L225-L344 HydrophobicContact CD2-CD1 3.56Å; L339-L344 HydrophobicContact CD2-CD1 3.67Å; L339-L344 PolarHBondContact O-N 2.96Å; L342-L344 HydrophobicContact CB-CD1 3.97Å; L342-L344 HydrophobicContact CB-CG 3.9Å; L342-L344 HydrophobicContact CD1-CD1 4.14Å; L342-L344 PolarHBondContact O-N 3.2Å; L344-F350 HydrophobicContact CB-CE2 4.41Å; L344-F350 HydrophobicContact CD1-CD2 4.36Å; L344-F350 HydrophobicContact CD1-CE2 3.7Å; L344-F350 HydrophobicContact CD1-CZ 3.84Å; L344-F350 HydrophobicContact CD2-CE2 4.39Å; L344-F350 HydrophobicContact CG-CE2 4.39Å
345	A	63.6	Low	82.1	Confident	39 Å²	39	29.2 Å²	29.2	32%	0.322	15%	0.154	S	C	.	.	S	Bend	trans	-66.7	-39.6	-174	0	0	0	0	0	113.4	S95 F100 E343	S95-A345 WeakPolarHBondContact CA-O 3.4Å; S95-A345 WeakPolarHBondContact CB-O 3.15Å; S95-A345 PolarHBondContact N-O 3.02Å; F100-A345 HydrophobicContact CE2-CB 4.46Å; E343-A345 PolarHBondContact O-N 2.97Å; E343-A345 VanDerWaalsContact O-N 3.17Å
346	D	72.4	Confident	82.4	Confident	41 Å²	41	29 Å²	29	22%	0.219	15%	0.153	C	C	.	.			trans	-106.5	99.2	-179.9	-161.9	-14.9	0	0	0	112.1	S348	D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.31Å; D346-S348 WeakPolarHBondContact OD1-CB 3.33Å; D346-S348 PolarHBondContact OD1-N 3.02Å; D346-S348 PolarHBondContact OD1-OG 3.22Å; D346-S348 PolarHBondContact OD2-OG 2.87Å
347	T	76.6	Confident	82.9	Confident	25 Å²	25	27.5 Å²	27.5	15%	0.153	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.2	176.2	54.4	0	0	0	0	113.4	L94 E349 F350 W351	L94-T347 HydrophobicContact CD2-CG2 3.62Å; T347-E349 VanDerWaalsContact C-N 3.31Å; T347-E349 PolarHBondContact O-N 3.18Å; T347-F350 PolarHBondContact O-N 3.02Å; T347-W351 PolarHBondContact O-N 3.29Å
348	S	77.7	Confident	83.3	Confident	28 Å²	28	27.2 Å²	27.2	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.8	-175.9	74	0	0	0	0	112.3	D346 F350 W351	D346-S348 VanDerWaalsContact CG-OG 3.27Å; D346-S348 PolarHBondContact O-N 3.31Å; D346-S348 WeakPolarHBondContact OD1-CB 3.33Å; D346-S348 PolarHBondContact OD1-N 3.02Å; D346-S348 PolarHBondContact OD1-OG 3.22Å; D346-S348 PolarHBondContact OD2-OG 2.87Å; S348-F350 VanDerWaalsContact C-N 3.31Å; S348-F350 PolarHBondContact O-N 3Å; S348-W351 VanDerWaalsContact O-CB 3.24Å; S348-W351 WeakPolarHBondContact O-CB 3.37Å; S348-W351 PolarHBondContact O-N 3.14Å
349	E	83.3	Confident	83.6	Confident	128 Å²	128	27.2 Å²	27.2	60%	0.598	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.8	174.3	-60.9	-167.1	160.4	0	0	111.6	N221 T347 W351 P352	N221-E349 PolarHBondContact ND2-O 3.14Å; T347-E349 VanDerWaalsContact C-N 3.31Å; T347-E349 PolarHBondContact O-N 3.18Å; E349-W351 PolarHBondContact O-N 2.92Å; E349-P352 VanDerWaalsContact O-CD 3.3Å; E349-P352 WeakPolarHBondContact O-CD 3.28Å
350	F	87.2	Confident	84	Confident	6 Å²	6	27 Å²	27	3%	0.026	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.8	179.4	-61.4	-75.4	0	0	0	114.1	N221 L225 L339 L344 T347 S348 P352 L353 I354	N221-F350 HydrophobicContact CB-CD1 4.03Å; N221-F350 HydrophobicContact CB-CE1 4.31Å; N221-F350 WeakPolarHBondContact ND2-CA 3.44Å; L225-F350 HydrophobicContact CD1-CD1 4.27Å; L225-F350 HydrophobicContact CD1-CE1 4.28Å; L225-F350 HydrophobicContact CD2-CD1 4.15Å; L225-F350 HydrophobicContact CD2-CE1 3.61Å; L225-F350 HydrophobicContact CD2-CZ 3.96Å; L225-F350 HydrophobicContact CG-CD1 4.1Å; L225-F350 HydrophobicContact CG-CE1 3.62Å; L225-F350 HydrophobicContact CG-CZ 4.4Å; L339-F350 HydrophobicContact CD1-CB 4.47Å; L339-F350 HydrophobicContact CD2-CB 4.37Å; L339-F350 HydrophobicContact CD2-CD1 4.39Å; L339-F350 HydrophobicContact CD2-CD2 4.19Å; L339-F350 HydrophobicContact CD2-CG 4.03Å; L344-F350 HydrophobicContact CB-CE2 4.41Å; L344-F350 HydrophobicContact CD1-CD2 4.36Å; L344-F350 HydrophobicContact CD1-CE2 3.7Å; L344-F350 HydrophobicContact CD1-CZ 3.84Å; L344-F350 HydrophobicContact CD2-CE2 4.39Å; L344-F350 HydrophobicContact CG-CE2 4.39Å; T347-F350 PolarHBondContact O-N 3.02Å; S348-F350 VanDerWaalsContact C-N 3.31Å; S348-F350 PolarHBondContact O-N 3Å; F350-P352 VanDerWaalsContact C-CD 3.45Å; F350-L353 WeakPolarHBondContact O-CA 3.32Å; F350-L353 WeakPolarHBondContact O-CB 3.25Å; F350-L353 PolarHBondContact O-N 2.49Å; F350-I354 PolarHBondContact O-N 3.14Å
351	W	86.7	Confident	84.5	Confident	81 Å²	81	24.9 Å²	24.9	31%	0.307	13%	0.13	S	C	.	.	H	α-helix	trans	-50.2	-44.7	179.8	173	-98.1	0	0	0	114.8	K87 T347 S348 E349 L353 I354 L355	K87-W351 HydrophobicContact CD-CD2 4.37Å; K87-W351 VanDerWaalsContact NZ-CZ2 3.26Å; K87-W351 VanDerWaalsContact NZ-NE1 3.19Å; T347-W351 PolarHBondContact O-N 3.29Å; S348-W351 VanDerWaalsContact O-CB 3.24Å; S348-W351 WeakPolarHBondContact O-CB 3.37Å; S348-W351 PolarHBondContact O-N 3.14Å; E349-W351 PolarHBondContact O-N 2.92Å; W351-L353 PolarHBondContact O-N 3.05Å; W351-I354 PolarHBondContact O-N 3.15Å; W351-L355 HydrophobicContact CZ2-CD1 4.21Å; W351-L355 WeakPolarHBondContact O-CB 3.24Å; W351-L355 PolarHBondContact O-N 2.97Å
352	P	91.4	Very high	84.9	Confident	13 Å²	13	24.2 Å²	24.2	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-56.3	-39.8	176.2	-26.4	36.6	0	0	0	112.9	T214 K217 C218 E349 F350 L355 L356	T214-P352 HydrophobicContact CG2-CB 3.82Å; K217-P352 HydrophobicContact CB-CB 4.13Å; K217-P352 HydrophobicContact CB-CG 3.86Å; K217-P352 HydrophobicContact CD-CG 4.34Å; C218-P352 VanDerWaalsContact SG-CB 3.57Å; C218-P352 PolarHBondContact SG-O 2.92Å; E349-P352 VanDerWaalsContact O-CD 3.3Å; E349-P352 WeakPolarHBondContact O-CD 3.28Å; F350-P352 VanDerWaalsContact C-CD 3.45Å; P352-L355 WeakPolarHBondContact O-CB 3.4Å; P352-L355 PolarHBondContact O-N 2.88Å; P352-L356 PolarHBondContact O-N 2.82Å
353	L	91.8	Very high	85.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.5	-40.3	-179.6	-174.3	62.3	0	0	0	111.5	L222 L225 M289 L335 F350 W351 L355 L356 S357	L222-L353 HydrophobicContact CD1-CD1 4.43Å; L222-L353 HydrophobicContact CD2-CD1 3.82Å; L222-L353 HydrophobicContact CD2-CD2 4.05Å; L222-L353 HydrophobicContact CG-CD1 4Å; L225-L353 HydrophobicContact CD1-CD2 3.33Å; M289-L353 HydrophobicContact CE-CD1 3.46Å; M289-L353 VanDerWaalsContact CE-CD1 3.46Å; M289-L353 HydrophobicContact CE-CG 4.41Å; L335-L353 HydrophobicContact CD1-CD2 3.7Å; L335-L353 HydrophobicContact CD1-CG 4.11Å; L335-L353 HydrophobicContact CD2-CD2 4.36Å; L335-L353 HydrophobicContact CD2-CG 3.89Å; F350-L353 WeakPolarHBondContact O-CA 3.32Å; F350-L353 WeakPolarHBondContact O-CB 3.25Å; F350-L353 PolarHBondContact O-N 2.49Å; W351-L353 PolarHBondContact O-N 3.05Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 3.01Å; L353-L356 PolarHBondContact O-N 3.27Å; L353-S357 PolarHBondContact O-N 2.83Å; L353-S357 PolarHBondContact O-OG 2.68Å
354	I	89.6	Confident	85.7	Confident	24 Å²	24	21.5 Å²	21.5	12%	0.123	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-41.5	172.3	-65.4	169.1	0	0	0	110.6	L335 L339 F350 W351 L356 S357 H358	L335-I354 HydrophobicContact CD2-CG1 4.01Å; L339-I354 HydrophobicContact CD1-CD1 4.27Å; L339-I354 HydrophobicContact CD1-CG1 4.28Å; F350-I354 PolarHBondContact O-N 3.14Å; W351-I354 PolarHBondContact O-N 3.15Å; I354-L356 VanDerWaalsContact C-N 3.35Å; I354-L356 PolarHBondContact O-N 3.17Å; I354-S357 WeakPolarHBondContact CA-OG 3.07Å; I354-S357 PolarHBondContact O-N 3.16Å; I354-S357 PolarHBondContact O-OG 3.09Å; I354-H358 WeakPolarHBondContact CG2-CE1 3.46Å; I354-H358 WeakPolarHBondContact O-CB 3.2Å; I354-H358 PolarHBondContact O-N 3.27Å; I354-H358 PolarHBondContact O-ND1 2.88Å
355	L	90.6	Very high	86.2	Confident	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.9	-170.9	63.9	0	0	0	111.7	V208 L210 T214 W351 P352 L353 H358 F359	V208-L355 HydrophobicContact CG1-CD1 3.69Å; V208-L355 HydrophobicContact CG1-CG 4.09Å; L210-L355 HydrophobicContact CD2-CD2 3.97Å; L210-L355 HydrophobicContact CD2-CG 3.87Å; T214-L355 HydrophobicContact CG2-CD2 4.18Å; W351-L355 HydrophobicContact CZ2-CD1 4.21Å; W351-L355 WeakPolarHBondContact O-CB 3.24Å; W351-L355 PolarHBondContact O-N 2.97Å; P352-L355 WeakPolarHBondContact O-CB 3.4Å; P352-L355 PolarHBondContact O-N 2.88Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 3.01Å; L355-H358 PolarHBondContact O-N 3.17Å; L355-F359 WeakPolarHBondContact O-CB 3.38Å; L355-F359 PolarHBondContact O-N 3.35Å
356	L	93.2	Very high	87.2	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.5	-39.7	176.1	-176.8	64.9	0	0	0	112.2	L210 L215 C218 M289 F292 A293 V296 P352 L353 I354 F359 A360	L210-L356 HydrophobicContact CD1-CD1 3.95Å; L215-L356 HydrophobicContact CD2-CD1 4.17Å; C218-L356 HydrophobicContact CB-CD2 4.45Å; M289-L356 HydrophobicContact CE-CD2 4.01Å; M289-L356 HydrophobicContact CE-CG 4.22Å; F292-L356 HydrophobicContact CD1-CD1 4.02Å; F292-L356 HydrophobicContact CD1-CD2 4.34Å; F292-L356 HydrophobicContact CD1-CG 4.05Å; F292-L356 HydrophobicContact CE1-CD1 3.65Å; F292-L356 HydrophobicContact CE1-CG 3.99Å; A293-L356 HydrophobicContact CB-CD2 3.82Å; V296-L356 HydrophobicContact CG2-CD1 4.31Å; P352-L356 PolarHBondContact O-N 2.82Å; L353-L356 PolarHBondContact O-N 3.27Å; I354-L356 VanDerWaalsContact C-N 3.35Å; I354-L356 PolarHBondContact O-N 3.17Å; L356-F359 WeakPolarHBondContact O-CB 3.2Å; L356-F359 PolarHBondContact O-N 2.89Å; L356-A360 PolarHBondContact O-N 3.3Å
357	S	91	Very high	87.7	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-68.5	-38	176.1	62.8	0	0	0	0	112	L335 L353 I354 A360 T361	L335-S357 WeakPolarHBondContact CD2-OG 3.42Å; L353-S357 PolarHBondContact O-N 2.83Å; L353-S357 PolarHBondContact O-OG 2.68Å; I354-S357 WeakPolarHBondContact CA-OG 3.07Å; I354-S357 PolarHBondContact O-N 3.16Å; I354-S357 PolarHBondContact O-OG 3.09Å; S357-A360 WeakPolarHBondContact O-CB 3.48Å; S357-A360 PolarHBondContact O-N 3.35Å; S357-T361 PolarHBondContact O-N 2.99Å; S357-T361 PolarHBondContact O-OG1 2.89Å
358	H	88.5	Confident	88.1	Confident	12 Å²	12	27 Å²	27	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-43.6	172.4	-69.9	164.7	0	0	0	111.9	P264 I354 L355 A360 T361 L362	P264-H358 HydrophobicContact CG-CB 4.39Å; I354-H358 WeakPolarHBondContact CG2-CE1 3.46Å; I354-H358 WeakPolarHBondContact O-CB 3.2Å; I354-H358 PolarHBondContact O-N 3.27Å; I354-H358 PolarHBondContact O-ND1 2.88Å; L355-H358 PolarHBondContact O-N 3.17Å; H358-A360 VanDerWaalsContact C-N 3.33Å; H358-A360 PolarHBondContact O-N 3.08Å; H358-T361 PolarHBondContact O-N 2.88Å; H358-L362 WeakPolarHBondContact O-CB 3.19Å; H358-L362 WeakPolarHBondContact O-CG 3.3Å; H358-L362 PolarHBondContact O-N 2.86Å
359	F	92.2	Very high	88.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-46.1	173.4	172.2	-94.8	0	0	0	111.4	V208 L210 F292 V296 F313 L355 L356 T361 L362 V363 L372 L389 F391	V208-F359 HydrophobicContact CG1-CB 4.02Å; V208-F359 HydrophobicContact CG1-CD2 4.43Å; L210-F359 HydrophobicContact CD1-CB 4.12Å; L210-F359 HydrophobicContact CD1-CD1 3.85Å; L210-F359 HydrophobicContact CD1-CD2 3.96Å; L210-F359 HydrophobicContact CD1-CE1 4.25Å; L210-F359 HydrophobicContact CD1-CE2 4.31Å; L210-F359 HydrophobicContact CD1-CG 3.71Å; L210-F359 HydrophobicContact CD1-CZ 4.48Å; F292-F359 HydrophobicContact CE1-CD1 4.08Å; F292-F359 HydrophobicContact CE1-CE1 4.48Å; F292-F359 AromaticContact CZ-CD1 3.77Å; F292-F359 HydrophobicContact CZ-CD1 3.77Å; F292-F359 AromaticContact CZ-CE1 3.83Å; F292-F359 HydrophobicContact CZ-CE1 3.83Å; V296-F359 HydrophobicContact CG2-CE1 4.24Å; F313-F359 HydrophobicContact CE1-CE1 4.1Å; F313-F359 HydrophobicContact CE1-CZ 4.14Å; F313-F359 AromaticContact CZ-CE1 3.98Å; F313-F359 HydrophobicContact CZ-CE1 3.98Å; F313-F359 AromaticContact CZ-CZ 3.95Å; F313-F359 HydrophobicContact CZ-CZ 3.95Å; L355-F359 WeakPolarHBondContact O-CB 3.38Å; L355-F359 PolarHBondContact O-N 3.35Å; L356-F359 WeakPolarHBondContact O-CB 3.2Å; L356-F359 PolarHBondContact O-N 2.89Å; F359-T361 PolarHBondContact O-N 3.43Å; F359-L362 PolarHBondContact O-N 2.88Å; F359-V363 HydrophobicContact CD1-CG2 4.36Å; F359-V363 HydrophobicContact CD2-CG2 4.02Å; F359-V363 HydrophobicContact CE1-CG2 4.07Å; F359-V363 HydrophobicContact CE2-CG2 3.74Å; F359-V363 HydrophobicContact CG-CG2 4.32Å; F359-V363 HydrophobicContact CZ-CG2 3.74Å; F359-V363 WeakPolarHBondContact O-CB 3.33Å; F359-V363 WeakPolarHBondContact O-CG2 3.31Å; F359-V363 PolarHBondContact O-N 3.33Å; F359-L372 HydrophobicContact CE2-CD2 3.62Å; F359-L372 HydrophobicContact CZ-CD2 3.8Å; F359-L389 HydrophobicContact CE1-CD2 4.4Å; F359-L389 HydrophobicContact CE2-CD2 4.1Å; F359-L389 HydrophobicContact CE2-CG 4.25Å; F359-L389 HydrophobicContact CZ-CD2 3.7Å; F359-L389 HydrophobicContact CZ-CG 4.31Å; F359-F391 HydrophobicContact CD2-CB 3.87Å; F359-F391 HydrophobicContact CE2-CB 3.76Å
360	A	91.9	Very high	89	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-47.6	176.8	0	0	0	0	0	112.6	F292 L328 C331 L356 S357 H358 S364	F292-A360 HydrophobicContact CD1-CB 4.36Å; F292-A360 HydrophobicContact CE1-CB 3.65Å; F292-A360 HydrophobicContact CZ-CB 3.77Å; L328-A360 HydrophobicContact CD2-CB 3.93Å; L328-A360 CarbonylContact O-C 3.53Å; C331-A360 HydrophobicContact CB-CB 4.02Å; L356-A360 PolarHBondContact O-N 3.3Å; S357-A360 WeakPolarHBondContact O-CB 3.48Å; S357-A360 PolarHBondContact O-N 3.35Å; H358-A360 VanDerWaalsContact C-N 3.33Å; H358-A360 PolarHBondContact O-N 3.08Å; A360-S364 WeakPolarHBondContact O-CB 3.31Å; A360-S364 PolarHBondContact O-N 3.24Å; A360-S364 VanDerWaalsContact O-N 3.11Å; A360-S364 PolarHBondContact O-OG 3.17Å; A360-S364 VanDerWaalsContact O-OG 3.12Å
361	T	88.6	Confident	89.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-44.3	179.2	-68.1	0	0	0	0	111.6	P264 L266 L328 R329 A332 S357 H358 F359 S364 T365	P264-T361 HydrophobicContact CG-CG2 4.24Å; L266-T361 HydrophobicContact CD2-CG2 3.96Å; L266-T361 HydrophobicContact CG-CG2 4.39Å; L328-T361 WeakPolarHBondContact O-CA 3.26Å; L328-T361 PolarHBondContact O-N 3.48Å; R329-T361 WeakPolarHBondContact O-CG2 3.28Å; R329-T361 PolarHBondContact O-OG1 3Å; A332-T361 WeakPolarHBondContact CB-OG1 3.44Å; A332-T361 PolarHBondContact N-OG1 2.99Å; S357-T361 PolarHBondContact O-N 2.99Å; S357-T361 PolarHBondContact O-OG1 2.89Å; H358-T361 PolarHBondContact O-N 2.88Å; F359-T361 PolarHBondContact O-N 3.43Å; T361-S364 PolarHBondContact O-N 2.98Å; T361-S364 PolarHBondContact O-OG 3.02Å; T361-T365 VanDerWaalsContact O-CB 3.3Å; T361-T365 WeakPolarHBondContact O-CB 3.42Å; T361-T365 PolarHBondContact O-N 2.75Å; T361-T365 PolarHBondContact O-OG1 2.93Å
362	L	88.3	Confident	89.5	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66.7	-47.9	-179.4	-75	173.3	0	0	0	112.6	V208 P264 H358 F359 S364 T365 Y366 F391	V208-L362 HydrophobicContact CG2-CD1 3.53Å; P264-L362 HydrophobicContact CB-CD2 4.05Å; P264-L362 HydrophobicContact CB-CG 4.36Å; P264-L362 HydrophobicContact CG-CG 4.4Å; H358-L362 WeakPolarHBondContact O-CB 3.19Å; H358-L362 WeakPolarHBondContact O-CG 3.3Å; H358-L362 PolarHBondContact O-N 2.86Å; F359-L362 PolarHBondContact O-N 2.88Å; L362-S364 PolarHBondContact O-N 2.81Å; L362-T365 PolarHBondContact O-N 3.48Å; L362-T365 VanDerWaalsContact O-N 3.11Å; L362-Y366 HydrophobicContact CD2-CD2 3.89Å; L362-Y366 HydrophobicContact CD2-CE2 3.85Å; L362-Y366 PolarHBondContact O-N 3.27Å; L362-F391 HydrophobicContact CB-CD1 4.1Å; L362-F391 HydrophobicContact CB-CE1 3.63Å; L362-F391 HydrophobicContact CB-CZ 4.27Å; L362-F391 HydrophobicContact CD1-CD1 4.44Å; L362-F391 HydrophobicContact CD1-CE1 4.44Å
363	V	90.8	Very high	89.5	Confident	3 Å²	3	16.5 Å²	16.5	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-36.2	178.8	171.8	0	0	0	0	111.4	F313 L314 F359 L372 F391	F313-V363 HydrophobicContact CD1-CG1 3.58Å; F313-V363 HydrophobicContact CE1-CG1 3.87Å; L314-V363 HydrophobicContact CD2-CG1 4.06Å; L314-V363 HydrophobicContact CG-CG1 4.2Å; F359-V363 HydrophobicContact CD1-CG2 4.36Å; F359-V363 HydrophobicContact CD2-CG2 4.02Å; F359-V363 HydrophobicContact CE1-CG2 4.07Å; F359-V363 HydrophobicContact CE2-CG2 3.74Å; F359-V363 HydrophobicContact CG-CG2 4.32Å; F359-V363 HydrophobicContact CZ-CG2 3.74Å; F359-V363 WeakPolarHBondContact O-CB 3.33Å; F359-V363 WeakPolarHBondContact O-CG2 3.31Å; F359-V363 PolarHBondContact O-N 3.33Å; V363-L372 HydrophobicContact CG2-CD2 4.25Å; V363-F391 HydrophobicContact CB-CE2 4.4Å; V363-F391 HydrophobicContact CG2-CD2 3.59Å; V363-F391 HydrophobicContact CG2-CE2 3.75Å; V363-F391 HydrophobicContact CG2-CG 4.05Å; V363-F391 HydrophobicContact CG2-CZ 4.39Å
364	S	88.5	Confident	89.4	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-77.3	-24.4	177.6	71.4	0	0	0	0	113.8	R325 R329 A360 T361 L362	R325-S364 VanDerWaalsContact CZ-O 3.23Å; R325-S364 PolarHBondContact NE-O 3.29Å; R325-S364 PolarHBondContact NH2-O 3.43Å; R329-S364 WeakPolarHBondContact CA-OG 3.3Å; R329-S364 PolarHBondContact N-OG 2.68Å; A360-S364 WeakPolarHBondContact O-CB 3.31Å; A360-S364 PolarHBondContact O-N 3.24Å; A360-S364 VanDerWaalsContact O-N 3.11Å; A360-S364 PolarHBondContact O-OG 3.17Å; A360-S364 VanDerWaalsContact O-OG 3.12Å; T361-S364 PolarHBondContact O-N 2.98Å; T361-S364 PolarHBondContact O-OG 3.02Å; L362-S364 PolarHBondContact O-N 2.81Å
365	T	86	Confident	89.3	Confident	15 Å²	15	17.2 Å²	17.2	9%	0.092	9%	0.089	C	C	.	.	H	α-helix	trans	-90.2	-48.1	-175.8	-60.8	0	0	0	0	111.4	L266 T361 L362	L266-T365 HydrophobicContact CD2-CG2 4.45Å; L266-T365 WeakPolarHBondContact CD2-OG1 3.44Å; T361-T365 VanDerWaalsContact O-CB 3.3Å; T361-T365 WeakPolarHBondContact O-CB 3.42Å; T361-T365 PolarHBondContact O-N 2.75Å; T361-T365 PolarHBondContact O-OG1 2.93Å; L362-T365 PolarHBondContact O-N 3.48Å; L362-T365 VanDerWaalsContact O-N 3.11Å
366	Y	85.5	Confident	88.9	Confident	36 Å²	36	16.7 Å²	16.7	14%	0.141	9%	0.087	C	C	.	.			trans	-106.7	118.8	-173.3	-64.7	-74.9	0	0	0	112.5	V265 L362 F370 I398	V265-Y366 HydrophobicContact CB-CE2 4.18Å; V265-Y366 WeakPolarHBondContact CB-OH 3.48Å; V265-Y366 WeakPolarHBondContact CG1-OH 3.23Å; V265-Y366 WeakPolarHBondContact CG2-OH 3.49Å; L362-Y366 HydrophobicContact CD2-CD2 3.89Å; L362-Y366 HydrophobicContact CD2-CE2 3.85Å; L362-Y366 PolarHBondContact O-N 3.27Å; Y366-F370 VanDerWaalsContact CB-CD2 3.47Å; Y366-F370 AromaticContact CD1-CE2 3.75Å; Y366-F370 HydrophobicContact CD1-CE2 3.75Å; Y366-F370 HydrophobicContact CD1-CZ 4.24Å; Y366-F370 HydrophobicContact CD2-CE2 4.25Å; Y366-F370 HydrophobicContact CD2-CZ 4.07Å; Y366-F370 HydrophobicContact CG-CD2 4.23Å; Y366-F370 AromaticContact CG-CE2 3.53Å; Y366-F370 HydrophobicContact CG-CE2 3.53Å; Y366-F370 AromaticContact CG-CZ 3.82Å; Y366-F370 HydrophobicContact CG-CZ 3.82Å; Y366-I398 HydrophobicContact CD1-CG2 4.24Å; Y366-I398 HydrophobicContact CE1-CG2 3.59Å
367	S	82.9	Confident	88.3	Confident	53 Å²	53	21.1 Å²	21.1	37%	0.371	11%	0.105	S	C	.	.			trans	-107.4	-40.8	173.3	55.5	0	0	0	0	113.1
368	K	85.4	Confident	87.4	Confident	138 Å²	138	25.3 Å²	25.3	60%	0.6	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	133.2	-179.3	-170.2	-179.1	180	-173.9	0	110.5	F370	K368-F370 VanDerWaalsContact O-CD2 3.29Å; K368-F370 WeakPolarHBondContact O-CD2 3.41Å
369	G	86.9	Confident	86.5	Confident	6 Å²	6	29.5 Å²	29.5	6%	0.062	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	12.5	176.5	0	0	0	0	0	115.2	M394 D395	G369-M394 WeakPolarHBondContact O-CB 3.29Å; G369-M394 PolarHBondContact O-N 3.23Å; G369-D395 PolarHBondContact O-N 3.45Å
370	F	92.2	Very high	85.3	Confident	7 Å²	7	37 Å²	37	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.4	179.4	-69.4	-97.4	0	0	0	111.3	L206 P310 Y366 K368 F391 S392 C393 I398	L206-F370 HydrophobicContact CB-CE1 3.98Å; L206-F370 HydrophobicContact CB-CZ 4.23Å; L206-F370 HydrophobicContact CD1-CZ 4.04Å; P310-F370 WeakPolarHBondContact CD-O 3.48Å; P310-F370 HydrophobicContact CG-CB 3.95Å; Y366-F370 VanDerWaalsContact CB-CD2 3.47Å; Y366-F370 AromaticContact CD1-CE2 3.75Å; Y366-F370 HydrophobicContact CD1-CE2 3.75Å; Y366-F370 HydrophobicContact CD1-CZ 4.24Å; Y366-F370 HydrophobicContact CD2-CE2 4.25Å; Y366-F370 HydrophobicContact CD2-CZ 4.07Å; Y366-F370 HydrophobicContact CG-CD2 4.23Å; Y366-F370 AromaticContact CG-CE2 3.53Å; Y366-F370 HydrophobicContact CG-CE2 3.53Å; Y366-F370 AromaticContact CG-CZ 3.82Å; Y366-F370 HydrophobicContact CG-CZ 3.82Å; K368-F370 VanDerWaalsContact O-CD2 3.29Å; K368-F370 WeakPolarHBondContact O-CD2 3.41Å; F370-F391 HydrophobicContact CB-CE1 4.48Å; F370-F391 HydrophobicContact CB-CE2 3.75Å; F370-F391 HydrophobicContact CB-CZ 3.7Å; F370-F391 HydrophobicContact CD1-CD1 4Å; F370-F391 AromaticContact CD1-CE1 3.21Å; F370-F391 HydrophobicContact CD1-CE1 3.21Å; F370-F391 HydrophobicContact CD1-CE2 4.02Å; F370-F391 AromaticContact CD1-CZ 3.25Å; F370-F391 HydrophobicContact CD1-CZ 3.25Å; F370-F391 HydrophobicContact CD2-CZ 4.4Å; F370-F391 HydrophobicContact CE1-CD1 4.4Å; F370-F391 AromaticContact CE1-CE1 3.52Å; F370-F391 HydrophobicContact CE1-CE1 3.52Å; F370-F391 AromaticContact CE1-CZ 3.9Å; F370-F391 HydrophobicContact CE1-CZ 3.9Å; F370-F391 HydrophobicContact CG-CE1 4Å; F370-F391 HydrophobicContact CG-CE2 4.12Å; F370-F391 AromaticContact CG-CZ 3.54Å; F370-F391 HydrophobicContact CG-CZ 3.54Å; F370-S392 WeakPolarHBondContact CA-O 3.28Å; F370-C393 HydrophobicContact CD1-CB 3.93Å; F370-C393 HydrophobicContact CE1-CB 3.53Å; F370-C393 HydrophobicContact CZ-CB 4.16Å; F370-I398 HydrophobicContact CD2-CD1 4.29Å; F370-I398 HydrophobicContact CE2-CD1 3.53Å; F370-I398 HydrophobicContact CZ-CD1 4.28Å
371	S	92.7	Very high	84.4	Confident	22 Å²	22	41.2 Å²	41.2	15%	0.154	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.9	174.6	-50.5	0	0	0	0	110.7	S392	S371-S392 PolarHBondContact N-O 3.35Å; S371-S392 PolarHBondContact O-N 3Å
372	L	92.8	Very high	83.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.9	171.9	-74.9	163.6	0	0	0	108.7	V307 E308 F313 F359 V363 F374 L389 F391	V307-L372 WeakPolarHBondContact CA-O 3.35Å; E308-L372 HydrophobicContact CB-CB 4.49Å; E308-L372 PolarHBondContact N-O 3.06Å; E308-L372 PolarHBondContact O-N 2.8Å; F313-L372 HydrophobicContact CB-CD1 3.34Å; F313-L372 HydrophobicContact CD1-CD1 3.73Å; F313-L372 HydrophobicContact CD2-CD1 3.75Å; F313-L372 HydrophobicContact CE1-CD1 4.36Å; F313-L372 HydrophobicContact CE2-CD1 4.4Å; F313-L372 HydrophobicContact CG-CD1 3.35Å; F359-L372 HydrophobicContact CE2-CD2 3.62Å; F359-L372 HydrophobicContact CZ-CD2 3.8Å; V363-L372 HydrophobicContact CG2-CD2 4.25Å; L372-F374 HydrophobicContact CB-CE2 4.13Å; L372-L389 HydrophobicContact CD2-CD1 4.07Å; L372-F391 HydrophobicContact CD2-CB 3.83Å; L372-F391 HydrophobicContact CD2-CD2 3.63Å; L372-F391 HydrophobicContact CD2-CG 4.23Å; L372-F391 HydrophobicContact CG-CD2 3.96Å
373	L	91.3	Very high	83	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.6	177.8	-59	100.1	0	0	0	109.7	V307 L389 T390 M394 R585 I586	V307-L373 HydrophobicContact CG2-CD2 4.17Å; V307-L373 HydrophobicContact CG2-CG 4.41Å; L373-L389 WeakPolarHBondContact O-CA 3.35Å; L373-L389 WeakPolarHBondContact O-CD1 3.22Å; L373-T390 PolarHBondContact N-O 3.19Å; L373-T390 PolarHBondContact O-N 3.01Å; L373-M394 HydrophobicContact CD1-CE 4.1Å; L373-R585 VanDerWaalsContact CD2-C 3.49Å; L373-R585 HydrophobicContact CD2-CB 3.68Å; L373-I586 HydrophobicContact CD1-CG1 4.24Å; L373-I586 HydrophobicContact CD2-CB 4.5Å; L373-I586 HydrophobicContact CD2-CG1 3.93Å
374	F	89.7	Confident	82.4	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.6	175	-60.4	-92.4	0	0	0	109	R299 L305 T306 E308 F313 L372 L389	R299-F374 HydrophobicContact CB-CE1 3.8Å; R299-F374 HydrophobicContact CB-CZ 4.47Å; L305-F374 WeakPolarHBondContact CA-O 3.29Å; T306-F374 PolarHBondContact N-O 2.7Å; T306-F374 PolarHBondContact O-N 3.29Å; T306-F374 WeakPolarHBondContact OG1-CD2 3.46Å; E308-F374 HydrophobicContact CB-CE2 4.4Å; E308-F374 HydrophobicContact CG-CE2 4.3Å; E308-F374 WeakPolarHBondContact OE2-CE2 3.44Å; F313-F374 AromaticContact CD2-CZ 3.97Å; F313-F374 HydrophobicContact CD2-CZ 3.97Å; F313-F374 AromaticContact CE2-CZ 3.92Å; F313-F374 HydrophobicContact CE2-CZ 3.92Å; L372-F374 HydrophobicContact CB-CE2 4.13Å; F374-L389 HydrophobicContact CD1-CD1 3.55Å; F374-L389 HydrophobicContact CD1-CG 4.42Å; F374-L389 HydrophobicContact CD2-CD1 4.33Å; F374-L389 HydrophobicContact CE1-CD1 3.3Å; F374-L389 HydrophobicContact CE1-CD2 3.91Å; F374-L389 HydrophobicContact CE1-CG 4.12Å; F374-L389 HydrophobicContact CE2-CD1 4.14Å; F374-L389 HydrophobicContact CG-CD1 4.05Å; F374-L389 HydrophobicContact CZ-CD1 3.63Å
375	E	86.9	Confident	81.9	Confident	31 Å²	31	61.2 Å²	61.2	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.4	-179.2	-69.1	175	162.2	0	0	108.9	L305 P387 V388	L305-E375 HydrophobicContact CD1-CG 4.35Å; E375-P387 CarbonylContact O-C 3.42Å; E375-P387 VanDerWaalsContact O-CA 3.25Å; E375-P387 WeakPolarHBondContact O-CA 3.27Å; E375-V388 PolarHBondContact N-O 2.95Å; E375-V388 PolarHBondContact O-N 3.39Å
376	P	81.5	Confident	81.8	Confident	15 Å²	15	63 Å²	63	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-26.6	-177.1	23.5	-29.1	0	0	0	114.1	T303 N386	T303-P376 WeakPolarHBondContact O-CG 3.36Å; P376-N386 CarbonylContact O-C 3.59Å; P376-N386 PolarHBondContact O-N 2.85Å
377	Y	80.2	Confident	81.9	Confident	93 Å²	93	62.2 Å²	62.2	37%	0.365	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151	-176	-52.6	-77.1	0	0	0	109.8	P382 P385	Y377-P382 WeakPolarHBondContact CD1-O 3.46Å; Y377-P385 HydrophobicContact CD1-CB 4.5Å; Y377-P385 HydrophobicContact CE1-CB 4.25Å
378	E	73.6	Confident	82.3	Confident	89 Å²	89	60.8 Å²	60.8	42%	0.416	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.3	171.2	-171.1	170.7	175	0	0	109.6	K380 L381 N386	E378-K380 PolarHBondContact O-N 2.89Å; E378-L381 CarbonylContact O-C 3.56Å; E378-L381 VanDerWaalsContact O-C 3.29Å; E378-L381 PolarHBondContact O-N 2.88Å; E378-N386 PolarHBondContact OE2-ND2 2.79Å
379	D	68.7	Low	82.6	Confident	100 Å²	100	54.2 Å²	54.2	54%	0.535	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.2	-175.8	-68.6	-24.8	0	0	0	113.8
380	K	68.1	Low	82.9	Confident	156 Å²	156	54.2 Å²	54.2	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-22	-178.1	-64.7	177.2	-175.6	162.7	0	114.2	E378	E378-K380 PolarHBondContact O-N 2.89Å
381	L	73	Confident	82.9	Confident	90 Å²	90	53.9 Å²	53.9	47%	0.471	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	75	-172.8	-71.1	168.3	0	0	0	108.5	E378 T383 M384	E378-L381 CarbonylContact O-C 3.56Å; E378-L381 VanDerWaalsContact O-C 3.29Å; E378-L381 PolarHBondContact O-N 2.88Å; L381-T383 PolarHBondContact O-N 2.85Å; L381-M384 HydrophobicContact CB-CB 4.24Å; L381-M384 PolarHBondContact O-N 3.02Å; L381-M384 VanDerWaalsContact O-N 3.14Å
382	P	71.8	Confident	82.9	Confident	92 Å²	92	53 Å²	53	60%	0.597	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	-15.7	-174.1	25.7	-35.2	0	0	0	113.6	Y377	Y377-P382 WeakPolarHBondContact CD1-O 3.46Å
383	T	74.3	Confident	82.9	Confident	117 Å²	117	53 Å²	53	72%	0.718	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	-17.4	-179.1	52.9	0	0	0	0	113.9	L381 P385	L381-T383 PolarHBondContact O-N 2.85Å; T383-P385 WeakPolarHBondContact O-CD 3.06Å
384	M	79.1	Confident	82.9	Confident	121 Å²	121	53 Å²	53	60%	0.596	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.7	-176.8	-72.2	-68.5	-73.4	0	0	109.7	L381 N386	L381-M384 HydrophobicContact CB-CB 4.24Å; L381-M384 PolarHBondContact O-N 3.02Å; L381-M384 VanDerWaalsContact O-N 3.14Å; M384-N386 PolarHBondContact O-N 2.96Å; M384-N386 VanDerWaalsContact O-N 3.09Å
385	P	77.5	Confident	83	Confident	94 Å²	94	53.2 Å²	53.2	61%	0.61	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	111.1	-179.8	27.6	-33	0	0	0	109.8	Y377 T383	Y377-P385 HydrophobicContact CD1-CB 4.5Å; Y377-P385 HydrophobicContact CE1-CB 4.25Å; T383-P385 WeakPolarHBondContact O-CD 3.06Å
386	N	84.1	Confident	83.2	Confident	54 Å²	54	51.8 Å²	51.8	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	76.5	176.2	-172.2	13.8	0	0	0	108	P376 E378 M384 V388	P376-N386 CarbonylContact O-C 3.59Å; P376-N386 PolarHBondContact O-N 2.85Å; E378-N386 PolarHBondContact OE2-ND2 2.79Å; M384-N386 PolarHBondContact O-N 2.96Å; M384-N386 VanDerWaalsContact O-N 3.09Å; N386-V388 PolarHBondContact O-N 3.34Å
387	P	87.4	Confident	83.7	Confident	19 Å²	19	51.6 Å²	51.6	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.1	-170.7	25.9	-31.6	0	0	0	110.6	K212 M300 E375	K212-P387 HydrophobicContact CB-CG 4.08Å; K212-P387 HydrophobicContact CD-CG 4.24Å; K212-P387 HydrophobicContact CG-CG 4.44Å; K212-P387 PolarHBondContact N-O 3.4Å; M300-P387 HydrophobicContact CB-CB 4.33Å; M300-P387 VanDerWaalsContact CE-C 3.45Å; M300-P387 HydrophobicContact CE-CB 4.04Å; M300-P387 HydrophobicContact CE-CG 4.35Å; M300-P387 WeakPolarHBondContact CE-O 3.38Å; M300-P387 VanDerWaalsContact O-CB 3.28Å; M300-P387 WeakPolarHBondContact O-CB 3.41Å; E375-P387 CarbonylContact O-C 3.42Å; E375-P387 VanDerWaalsContact O-CA 3.25Å; E375-P387 WeakPolarHBondContact O-CA 3.27Å
388	V	90.3	Very high	84.1	Confident	23 Å²	23	48.9 Å²	48.9	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.2	178.1	-177.6	0	0	0	0	108.9	T209 K211 E375 N386	T209-V388 HydrophobicContact CG2-CG1 3.37Å; K211-V388 HydrophobicContact CG-CG2 4.39Å; E375-V388 PolarHBondContact N-O 2.95Å; E375-V388 PolarHBondContact O-N 3.39Å; N386-V388 PolarHBondContact O-N 3.34Å
389	L	92.2	Very high	84.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.5	171.8	171.6	56.3	0	0	0	108.8	T209 L210 V296 M300 F359 L372 L373 F374	T209-L389 CarbonylContact C-O 3.6Å; T209-L389 WeakPolarHBondContact CA-O 3.33Å; L210-L389 HydrophobicContact CB-CB 4.37Å; L210-L389 HydrophobicContact CD1-CD2 4.43Å; L210-L389 PolarHBondContact N-O 3.43Å; L210-L389 PolarHBondContact O-N 3.34Å; V296-L389 HydrophobicContact CG1-CD2 3.68Å; M300-L389 HydrophobicContact CE-CB 4.5Å; M300-L389 HydrophobicContact CG-CB 4.13Å; M300-L389 HydrophobicContact SD-CB 4.14Å; F359-L389 HydrophobicContact CE1-CD2 4.4Å; F359-L389 HydrophobicContact CE2-CD2 4.1Å; F359-L389 HydrophobicContact CE2-CG 4.25Å; F359-L389 HydrophobicContact CZ-CD2 3.7Å; F359-L389 HydrophobicContact CZ-CG 4.31Å; L372-L389 HydrophobicContact CD2-CD1 4.07Å; L373-L389 WeakPolarHBondContact O-CA 3.35Å; L373-L389 WeakPolarHBondContact O-CD1 3.22Å; F374-L389 HydrophobicContact CD1-CD1 3.55Å; F374-L389 HydrophobicContact CD1-CG 4.42Å; F374-L389 HydrophobicContact CD2-CD1 4.33Å; F374-L389 HydrophobicContact CE1-CD1 3.3Å; F374-L389 HydrophobicContact CE1-CD2 3.91Å; F374-L389 HydrophobicContact CE1-CG 4.12Å; F374-L389 HydrophobicContact CE2-CD1 4.14Å; F374-L389 HydrophobicContact CG-CD1 4.05Å; F374-L389 HydrophobicContact CZ-CD1 3.63Å
390	T	92.9	Very high	85.8	Confident	6 Å²	6	40.4 Å²	40.4	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118	179.5	-59.1	0	0	0	0	110.1	T207 T209 L373 S392 I586	T207-T390 HydrophobicContact CG2-CG2 3.86Å; T209-T390 PolarHBondContact OG1-OG1 3.13Å; L373-T390 PolarHBondContact N-O 3.19Å; L373-T390 PolarHBondContact O-N 3.01Å; T390-S392 PolarHBondContact O-N 3Å; T390-I586 HydrophobicContact CG2-CD1 4.38Å
391	F	93.4	Very high	86.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	100	163.1	179.9	-107.2	0	0	0	107.8	T207 V208 P310 F359 L362 V363 F370 L372	T207-F391 CarbonylContact C-O 3.52Å; T207-F391 VanDerWaalsContact CA-O 3.25Å; T207-F391 WeakPolarHBondContact CA-O 3.44Å; T207-F391 WeakPolarHBondContact CG2-O 3.44Å; V208-F391 PolarHBondContact N-O 3.1Å; V208-F391 PolarHBondContact O-N 3.05Å; P310-F391 HydrophobicContact CB-CE2 4.33Å; P310-F391 HydrophobicContact CG-CD2 4.44Å; P310-F391 HydrophobicContact CG-CE2 3.69Å; F359-F391 HydrophobicContact CD2-CB 3.87Å; F359-F391 HydrophobicContact CE2-CB 3.76Å; L362-F391 HydrophobicContact CB-CD1 4.1Å; L362-F391 HydrophobicContact CB-CE1 3.63Å; L362-F391 HydrophobicContact CB-CZ 4.27Å; L362-F391 HydrophobicContact CD1-CD1 4.44Å; L362-F391 HydrophobicContact CD1-CE1 4.44Å; V363-F391 HydrophobicContact CB-CE2 4.4Å; V363-F391 HydrophobicContact CG2-CD2 3.59Å; V363-F391 HydrophobicContact CG2-CE2 3.75Å; V363-F391 HydrophobicContact CG2-CG 4.05Å; V363-F391 HydrophobicContact CG2-CZ 4.39Å; F370-F391 HydrophobicContact CB-CE1 4.48Å; F370-F391 HydrophobicContact CB-CE2 3.75Å; F370-F391 HydrophobicContact CB-CZ 3.7Å; F370-F391 HydrophobicContact CD1-CD1 4Å; F370-F391 AromaticContact CD1-CE1 3.21Å; F370-F391 HydrophobicContact CD1-CE1 3.21Å; F370-F391 HydrophobicContact CD1-CE2 4.02Å; F370-F391 AromaticContact CD1-CZ 3.25Å; F370-F391 HydrophobicContact CD1-CZ 3.25Å; F370-F391 HydrophobicContact CD2-CZ 4.4Å; F370-F391 HydrophobicContact CE1-CD1 4.4Å; F370-F391 AromaticContact CE1-CE1 3.52Å; F370-F391 HydrophobicContact CE1-CE1 3.52Å; F370-F391 AromaticContact CE1-CZ 3.9Å; F370-F391 HydrophobicContact CE1-CZ 3.9Å; F370-F391 HydrophobicContact CG-CE1 4Å; F370-F391 HydrophobicContact CG-CE2 4.12Å; F370-F391 AromaticContact CG-CZ 3.54Å; F370-F391 HydrophobicContact CG-CZ 3.54Å; L372-F391 HydrophobicContact CD2-CB 3.83Å; L372-F391 HydrophobicContact CD2-CD2 3.63Å; L372-F391 HydrophobicContact CD2-CG 4.23Å; L372-F391 HydrophobicContact CG-CD2 3.96Å
392	S	92.9	Very high	87.4	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.9	-174.5	-171	0	0	0	0	110.8	F370 S371 T390	F370-S392 WeakPolarHBondContact CA-O 3.28Å; S371-S392 PolarHBondContact N-O 3.35Å; S371-S392 PolarHBondContact O-N 3Å; T390-S392 PolarHBondContact O-N 3Å
393	C	92.2	Very high	88.2	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.4	165.5	-171	0	0	0	0	109.1	I203 L206 T207 F370 D395	I203-C393 VanDerWaalsContact CG2-O 3.28Å; I203-C393 WeakPolarHBondContact CG2-O 3.42Å; L206-C393 HydrophobicContact CB-CB 3.88Å; T207-C393 PolarHBondContact OG1-N 3.06Å; T207-C393 VanDerWaalsContact OG1-N 3.12Å; F370-C393 HydrophobicContact CD1-CB 3.93Å; F370-C393 HydrophobicContact CE1-CB 3.53Å; F370-C393 HydrophobicContact CZ-CB 4.16Å; C393-D395 PolarHBondContact SG-O 2.98Å
394	M	91.4	Very high	88.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.171	C	C	.	.			trans	-103.7	-17.9	175.2	-56.2	-54.9	176	0	0	112	G369 L373 P396 A589 R590 Y593	G369-M394 WeakPolarHBondContact O-CB 3.29Å; G369-M394 PolarHBondContact O-N 3.23Å; L373-M394 HydrophobicContact CD1-CE 4.1Å; M394-P396 WeakPolarHBondContact O-CD 3.47Å; M394-A589 HydrophobicContact CE-CB 3.55Å; M394-A589 HydrophobicContact SD-CB 4.45Å; M394-R590 HydrophobicContact SD-CB 3.78Å; M394-R590 HydrophobicContact SD-CG 4.47Å; M394-Y593 HydrophobicContact CB-CD1 3.81Å; M394-Y593 HydrophobicContact CB-CD2 4.41Å; M394-Y593 HydrophobicContact CB-CE1 4.44Å; M394-Y593 HydrophobicContact CB-CG 3.79Å
395	D	91.4	Very high	89.3	Confident	13 Å²	13	33.4 Å²	33.4	7%	0.07	17%	0.174	C	C	.	.			trans	-112.1	100.5	-174.1	-163.9	-21.2	0	0	0	111.9	G369 C393 S397 I398 Y593	G369-D395 PolarHBondContact O-N 3.45Å; C393-D395 PolarHBondContact SG-O 2.98Å; D395-S397 PolarHBondContact O-N 2.91Å; D395-S397 VanDerWaalsContact OD1-CB 3.23Å; D395-S397 WeakPolarHBondContact OD1-CB 3.49Å; D395-S397 PolarHBondContact OD1-N 3.35Å; D395-S397 PolarHBondContact OD1-OG 2.94Å; D395-S397 PolarHBondContact OD2-OG 3.46Å; D395-I398 HydrophobicContact CB-CD1 3.87Å; D395-I398 HydrophobicContact CB-CG1 4.04Å; D395-I398 PolarHBondContact O-N 3.44Å; D395-Y593 HydrophobicContact CB-CE1 3.55Å; D395-Y593 PolarHBondContact OD2-OH 3.17Å
396	P	91.6	Very high	89.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.9	-179.7	30.2	-34.9	0	0	0	113.1	D199 C202 I203 M394 I398 A399 M426 L427	D199-P396 HydrophobicContact CB-CB 4.14Å; D199-P396 HydrophobicContact CB-CG 4.19Å; C202-P396 HydrophobicContact CB-CB 3.71Å; I203-P396 HydrophobicContact CG1-CB 4.38Å; M394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-I398 PolarHBondContact O-N 3.28Å; P396-A399 PolarHBondContact O-N 3.14Å; P396-M426 WeakPolarHBondContact CG-O 3.49Å; P396-L427 HydrophobicContact CB-CD2 3.91Å; P396-L427 HydrophobicContact CG-CD2 4.03Å
397	S	91.5	Very high	89.9	Confident	11 Å²	11	30.6 Å²	30.6	8%	0.077	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-31.4	178.8	72.3	0	0	0	0	112	D395 A399 I400 R401 L427	D395-S397 PolarHBondContact O-N 2.91Å; D395-S397 VanDerWaalsContact OD1-CB 3.23Å; D395-S397 WeakPolarHBondContact OD1-CB 3.49Å; D395-S397 PolarHBondContact OD1-N 3.35Å; D395-S397 PolarHBondContact OD1-OG 2.94Å; D395-S397 PolarHBondContact OD2-OG 3.46Å; S397-A399 VanDerWaalsContact C-N 3.33Å; S397-A399 PolarHBondContact O-N 3.36Å; S397-I400 PolarHBondContact O-N 3.49Å; S397-R401 WeakPolarHBondContact O-CB 3.42Å; S397-R401 PolarHBondContact O-N 2.98Å; S397-L427 WeakPolarHBondContact CB-O 3.21Å
398	I	89.2	Confident	89.8	Confident	36 Å²	36	35.1 Å²	35.1	19%	0.185	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-40.8	-175.6	-59.9	178.9	0	0	0	111.4	L206 Y366 F370 D395 P396	L206-I398 HydrophobicContact CD1-CB 4.23Å; L206-I398 HydrophobicContact CD1-CG2 3.97Å; Y366-I398 HydrophobicContact CD1-CG2 4.24Å; Y366-I398 HydrophobicContact CE1-CG2 3.59Å; F370-I398 HydrophobicContact CD2-CD1 4.29Å; F370-I398 HydrophobicContact CE2-CD1 3.53Å; F370-I398 HydrophobicContact CZ-CD1 4.28Å; D395-I398 HydrophobicContact CB-CD1 3.87Å; D395-I398 HydrophobicContact CB-CG1 4.04Å; D395-I398 PolarHBondContact O-N 3.44Å; P396-I398 PolarHBondContact O-N 3.28Å
399	A	87.5	Confident	89.8	Confident	11 Å²	11	36.6 Å²	36.6	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-76.4	-36.8	-178.6	0	0	0	0	0	112.6	C202 L206 P396 S397 P402	C202-A399 HydrophobicContact CB-CB 3.75Å; L206-A399 HydrophobicContact CD1-CB 3.9Å; L206-A399 HydrophobicContact CG-CB 4.38Å; P396-A399 PolarHBondContact O-N 3.14Å; S397-A399 VanDerWaalsContact C-N 3.33Å; S397-A399 PolarHBondContact O-N 3.36Å; A399-P402 WeakPolarHBondContact O-CD 3.48Å
400	I	89.3	Confident	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-86.7	-23.5	-175.6	-162.3	162.6	0	0	0	113.3	L172 I198 S397 V403 F404 L427	L172-I400 HydrophobicContact CD2-CB 4.3Å; L172-I400 HydrophobicContact CD2-CD1 4.49Å; L172-I400 HydrophobicContact CD2-CG1 4.08Å; I198-I400 HydrophobicContact CD1-CD1 3.56Å; I198-I400 HydrophobicContact CG1-CD1 4.24Å; S397-I400 PolarHBondContact O-N 3.49Å; I400-V403 HydrophobicContact CG1-CB 4.46Å; I400-V403 WeakPolarHBondContact O-CA 3.43Å; I400-V403 VanDerWaalsContact O-CB 3.25Å; I400-V403 WeakPolarHBondContact O-CB 3.11Å; I400-V403 PolarHBondContact O-N 2.74Å; I400-F404 HydrophobicContact CB-CE2 4.2Å; I400-F404 HydrophobicContact CD1-CE1 3.98Å; I400-F404 HydrophobicContact CD1-CE2 3.86Å; I400-F404 HydrophobicContact CD1-CZ 3.39Å; I400-F404 HydrophobicContact CG1-CD2 4.17Å; I400-F404 HydrophobicContact CG1-CE1 4.05Å; I400-F404 HydrophobicContact CG1-CE2 3.68Å; I400-F404 HydrophobicContact CG1-CZ 3.6Å; I400-F404 HydrophobicContact CG2-CD2 4.07Å; I400-F404 HydrophobicContact CG2-CE2 3.54Å; I400-F404 HydrophobicContact CG2-CZ 4.25Å; I400-F404 PolarHBondContact O-N 2.94Å; I400-L427 HydrophobicContact CD1-CD1 4.36Å; I400-L427 HydrophobicContact CG2-CB 4.44Å; I400-L427 HydrophobicContact CG2-CD2 4.33Å
401	R	88.8	Confident	90	Very high	153 Å²	153	41.5 Å²	41.5	58%	0.577	21%	0.205	S	C	*	.	H	α-helix	trans	-49.7	-46.3	-178.9	175.6	175.2	-178.9	164.5	3.2	113.8	S397 V403 F404 H405	S397-R401 WeakPolarHBondContact O-CB 3.42Å; S397-R401 PolarHBondContact O-N 2.98Å; R401-V403 PolarHBondContact O-N 2.87Å; R401-F404 PolarHBondContact O-N 2.88Å; R401-H405 VanDerWaalsContact CG-CD2 3.45Å; R401-H405 WeakPolarHBondContact CG-CD2 3.34Å; R401-H405 PolarHBondContact O-CD2 2.87Å; R401-H405 VanDerWaalsContact O-CD2 3.23Å; R401-H405 PolarHBondContact O-N 3.37Å
402	P	85.8	Confident	90	Very high	77 Å²	77	43.3 Å²	43.3	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-30.3	176.5	-24.1	35.1	0	0	0	113.8	A399 R406	A399-P402 WeakPolarHBondContact O-CD 3.48Å; P402-R406 WeakPolarHBondContact O-CB 3.23Å; P402-R406 PolarHBondContact O-N 3.41Å
403	V	88.7	Confident	89.9	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-48	177.1	-174.9	0	0	0	0	109.8	L171 L172 I190 F192 I400 R401 H405 R406 F407 V410	L171-V403 HydrophobicContact CD1-CG2 4.44Å; L171-V403 HydrophobicContact CD2-CG1 3.97Å; L171-V403 HydrophobicContact CD2-CG2 4.47Å; L171-V403 HydrophobicContact CG-CG1 4.31Å; L171-V403 HydrophobicContact CG-CG2 3.96Å; L172-V403 HydrophobicContact CD2-CG2 4.09Å; I190-V403 HydrophobicContact CG1-CG1 4.46Å; F192-V403 HydrophobicContact CE2-CG1 4.37Å; F192-V403 HydrophobicContact CZ-CG1 4.47Å; I400-V403 HydrophobicContact CG1-CB 4.46Å; I400-V403 WeakPolarHBondContact O-CA 3.43Å; I400-V403 VanDerWaalsContact O-CB 3.25Å; I400-V403 WeakPolarHBondContact O-CB 3.11Å; I400-V403 PolarHBondContact O-N 2.74Å; R401-V403 PolarHBondContact O-N 2.87Å; V403-H405 PolarHBondContact O-N 2.89Å; V403-R406 PolarHBondContact O-N 3.5Å; V403-F407 HydrophobicContact CB-CD2 4.47Å; V403-F407 HydrophobicContact CG1-CD2 3.72Å; V403-F407 HydrophobicContact CG1-CE2 4.08Å; V403-F407 VanDerWaalsContact O-CD2 3.32Å; V403-F407 WeakPolarHBondContact O-CD2 3.34Å; V403-F407 PolarHBondContact O-N 3.47Å; V403-V410 HydrophobicContact CG1-CG2 4.26Å
404	F	89.7	Confident	89.8	Confident	50 Å²	50	44.9 Å²	44.9	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-35.9	178.9	-63.1	-37.9	0	0	0	113.5	I400 R401 V410 I412 F429	I400-F404 HydrophobicContact CB-CE2 4.2Å; I400-F404 HydrophobicContact CD1-CE1 3.98Å; I400-F404 HydrophobicContact CD1-CE2 3.86Å; I400-F404 HydrophobicContact CD1-CZ 3.39Å; I400-F404 HydrophobicContact CG1-CD2 4.17Å; I400-F404 HydrophobicContact CG1-CE1 4.05Å; I400-F404 HydrophobicContact CG1-CE2 3.68Å; I400-F404 HydrophobicContact CG1-CZ 3.6Å; I400-F404 HydrophobicContact CG2-CD2 4.07Å; I400-F404 HydrophobicContact CG2-CE2 3.54Å; I400-F404 HydrophobicContact CG2-CZ 4.25Å; I400-F404 PolarHBondContact O-N 2.94Å; R401-F404 PolarHBondContact O-N 2.88Å; F404-V410 HydrophobicContact CD1-CB 4.19Å; F404-V410 HydrophobicContact CD1-CG1 4.34Å; F404-V410 HydrophobicContact CD1-CG2 4.06Å; F404-V410 HydrophobicContact CE1-CB 4.21Å; F404-V410 HydrophobicContact CE1-CG1 3.98Å; F404-I412 HydrophobicContact CE1-CD1 4.5Å; F404-I412 HydrophobicContact CZ-CD1 4.32Å; F404-F429 HydrophobicContact CD2-CB 4.03Å; F404-F429 HydrophobicContact CE2-CB 3.77Å; F404-F429 HydrophobicContact CE2-CD1 4Å; F404-F429 AromaticContact CE2-CG 3.93Å; F404-F429 HydrophobicContact CE2-CG 3.93Å; F404-F429 HydrophobicContact CZ-CB 4.31Å; F404-F429 HydrophobicContact CZ-CD1 4.05Å; F404-F429 HydrophobicContact CZ-CD2 4.44Å; F404-F429 HydrophobicContact CZ-CE1 4.5Å; F404-F429 HydrophobicContact CZ-CG 4.02Å
405	H	87.2	Confident	89.5	Confident	144 Å²	144	45 Å²	45	67%	0.667	23%	0.226	S	C	*	.	H	α-helix	trans	-74.8	-25.7	177.5	-80.8	-68.1	0	0	0	113.6	R401 V403	R401-H405 VanDerWaalsContact CG-CD2 3.45Å; R401-H405 WeakPolarHBondContact CG-CD2 3.34Å; R401-H405 PolarHBondContact O-CD2 2.87Å; R401-H405 VanDerWaalsContact O-CD2 3.23Å; R401-H405 PolarHBondContact O-N 3.37Å; V403-H405 PolarHBondContact O-N 2.89Å
406	R	86.4	Confident	89.2	Confident	76 Å²	76	44.6 Å²	44.6	29%	0.287	22%	0.224	S	C	.	.	H	α-helix	trans	-92.1	-41.6	-170.5	-179.6	177.9	174.7	173.1	3.1	113.6	S181 K182 L184 P402 V403	S181-R406 PolarHBondContact O-NH1 2.87Å; S181-R406 PolarHBondContact O-NH2 3.13Å; K182-R406 PolarHBondContact O-NH2 2.61Å; L184-R406 PolarHBondContact O-NH2 3.04Å; P402-R406 WeakPolarHBondContact O-CB 3.23Å; P402-R406 PolarHBondContact O-N 3.41Å; V403-R406 PolarHBondContact O-N 3.5Å
407	F	88.8	Confident	89	Confident	12 Å²	12	45.7 Å²	45.7	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-99.6	143.8	-171.9	-61.4	-70.4	0	0	0	111.1	L171 L184 I190 V403 S409 V410	L171-F407 HydrophobicContact CD1-CE2 3.85Å; L171-F407 HydrophobicContact CD1-CZ 4.16Å; L184-F407 HydrophobicContact CB-CE1 3.96Å; L184-F407 HydrophobicContact CB-CZ 4.31Å; L184-F407 HydrophobicContact CD1-CE1 4.42Å; L184-F407 HydrophobicContact CD1-CZ 4.19Å; I190-F407 HydrophobicContact CD1-CD1 3.82Å; I190-F407 HydrophobicContact CD1-CD2 3.88Å; I190-F407 HydrophobicContact CD1-CE1 3.88Å; I190-F407 HydrophobicContact CD1-CE2 3.96Å; I190-F407 HydrophobicContact CD1-CG 3.81Å; I190-F407 HydrophobicContact CD1-CZ 3.95Å; I190-F407 HydrophobicContact CG1-CB 3.85Å; I190-F407 HydrophobicContact CG1-CD1 4.04Å; I190-F407 HydrophobicContact CG1-CD2 3.54Å; I190-F407 HydrophobicContact CG1-CE2 4.08Å; I190-F407 HydrophobicContact CG1-CG 3.52Å; V403-F407 HydrophobicContact CB-CD2 4.47Å; V403-F407 HydrophobicContact CG1-CD2 3.72Å; V403-F407 HydrophobicContact CG1-CE2 4.08Å; V403-F407 VanDerWaalsContact O-CD2 3.32Å; V403-F407 WeakPolarHBondContact O-CD2 3.34Å; V403-F407 PolarHBondContact O-N 3.47Å; F407-S409 PolarHBondContact O-N 3.44Å; F407-V410 HydrophobicContact CB-CG2 4.32Å
408	Q	84.4	Confident	88.7	Confident	114 Å²	114	45.9 Å²	45.9	53%	0.533	23%	0.231	S	C	.	.	S	Bend	trans	-63.7	-39.8	-177.3	-179.1	-179.3	-4.2	0	0	113.2	Q25 R186	Q25-Q408 PolarHBondContact O-OE1 3.4Å; R186-Q408 PolarHBondContact O-N 3.13Å; R186-Q408 VanDerWaalsContact O-N 3.17Å
409	S	91.6	Very high	88.7	Confident	55 Å²	55	45.6 Å²	45.6	39%	0.385	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	128.7	-176.9	-62.9	0	0	0	0	111	I190 F407	I190-S409 PolarHBondContact N-O 3.49Å; F407-S409 PolarHBondContact O-N 3.44Å
410	V	93.7	Very high	88.8	Confident	35 Å²	35	46.7 Å²	46.7	21%	0.212	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117	179.2	-177.1	0	0	0	0	108.4	I190 F192 V403 F404 F407 I412	I190-V410 HydrophobicContact CB-CG1 4.24Å; I190-V410 HydrophobicContact CB-CG2 4.17Å; I190-V410 HydrophobicContact CG1-CG2 4.33Å; I190-V410 HydrophobicContact CG2-CG1 4.36Å; I190-V410 CarbonylContact O-C 3.54Å; I190-V410 WeakPolarHBondContact O-CA 3.46Å; F192-V410 HydrophobicContact CD2-CG1 3.77Å; F192-V410 HydrophobicContact CE2-CG1 3.71Å; V403-V410 HydrophobicContact CG1-CG2 4.26Å; F404-V410 HydrophobicContact CD1-CB 4.19Å; F404-V410 HydrophobicContact CD1-CG1 4.34Å; F404-V410 HydrophobicContact CD1-CG2 4.06Å; F404-V410 HydrophobicContact CE1-CB 4.21Å; F404-V410 HydrophobicContact CE1-CG1 3.98Å; F407-V410 HydrophobicContact CB-CG2 4.32Å; V410-I412 HydrophobicContact CG1-CG1 4.49Å
411	L	93.8	Very high	88.8	Confident	73 Å²	73	50 Å²	50	38%	0.382	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.8	178.9	-60.8	177.8	0	0	0	109.2	V189 I190 V191 F192	V189-L411 HydrophobicContact CG1-CD1 4.26Å; I190-L411 PolarHBondContact O-N 3.3Å; V191-L411 HydrophobicContact CG2-CB 4.41Å; V191-L411 HydrophobicContact CG2-CD1 4.24Å; F192-L411 PolarHBondContact N-O 3.08Å
412	I	93.8	Very high	88.9	Confident	38 Å²	38	43.4 Å²	43.4	20%	0.195	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.7	174.7	-59.6	-179.3	0	0	0	108	F192 A195 F404 V410 L417 L427 F429	F192-I412 HydrophobicContact CD2-CG1 4.43Å; A195-I412 HydrophobicContact CB-CG2 3.54Å; F404-I412 HydrophobicContact CE1-CD1 4.5Å; F404-I412 HydrophobicContact CZ-CD1 4.32Å; V410-I412 HydrophobicContact CG1-CG1 4.49Å; I412-L417 HydrophobicContact CG2-CD1 4.2Å; I412-L427 HydrophobicContact CD1-CD1 4.43Å; I412-F429 HydrophobicContact CD1-CE1 4.46Å; I412-F429 HydrophobicContact CD1-CZ 4.04Å
413	T	92.1	Very high	89.2	Confident	34 Å²	34	40.1 Å²	40.1	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140	-174.8	64.6	0	0	0	0	111.3	L11 F192 E194 A195	L11-T413 HydrophobicContact CD1-CG2 4.07Å; F192-T413 PolarHBondContact O-N 2.76Å; F192-T413 PolarHBondContact O-OG1 2.74Å; E194-T413 PolarHBondContact N-O 2.67Å; A195-T413 PolarHBondContact N-O 2.84Å
414	S	89.5	Confident	89.4	Confident	4 Å²	4	41 Å²	41	3%	0.028	21%	0.212	C	C	.	.			trans	-162.2	161.8	166	168.1	0	0	0	0	110.5	M1 E194 T416	M1-S414 PolarHBondContact N-O 3.17Å; M1-S414 CarbonylContact O-C 3.57Å; M1-S414 VanDerWaalsContact O-O 3.07Å; E194-S414 PolarHBondContact OE2-OG 3.4Å; S414-T416 PolarHBondContact O-N 2.81Å; S414-T416 PolarHBondContact OG-N 3.12Å; S414-T416 PolarHBondContact OG-OG1 3.28Å
415	G	85.1	Confident	89.4	Confident	4 Å²	4	43.4 Å²	43.4	4%	0.041	22%	0.223	C	C	.	.	S	Bend	trans	-63.4	-24.3	170.7	0	0	0	0	0	115.1	M1 E194 W650	M1-G415 WeakPolarHBondContact O-CA 3.22Å; E194-G415 PolarHBondContact OE1-N 2.87Å; G415-W650 PolarHBondContact O-NE1 2.84Å
416	T	85.5	Confident	89.6	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.025	19%	0.191	C	C	.	.			trans	-133.7	16.1	-159	58.9	0	0	0	0	114.2	S414 S418 A615	S414-T416 PolarHBondContact O-N 2.81Å; S414-T416 PolarHBondContact OG-N 3.12Å; S414-T416 PolarHBondContact OG-OG1 3.28Å; T416-S418 PolarHBondContact O-N 3.28Å; T416-A615 HydrophobicContact CG2-CB 4.25Å; T416-A615 WeakPolarHBondContact CG2-O 3.4Å
417	L	86.1	Confident	89.8	Confident	24 Å²	24	33.1 Å²	33.1	13%	0.126	18%	0.178	C	C	.	.			trans	-65.6	104.8	171.9	-52.7	179.4	0	0	0	109.2	H196 I412 L420 Y423	H196-L417 HydrophobicContact CB-CD2 4.18Å; I412-L417 HydrophobicContact CG2-CD1 4.2Å; L417-L420 HydrophobicContact CB-CD2 3.57Å; L417-L420 HydrophobicContact CD1-CD2 4.38Å; L417-Y423 HydrophobicContact CB-CE2 3.92Å; L417-Y423 HydrophobicContact CD2-CE1 3.92Å; L417-Y423 HydrophobicContact CD2-CE2 3.82Å; L417-Y423 VanDerWaalsContact CD2-CZ 3.43Å; L417-Y423 WeakPolarHBondContact CD2-OH 3.29Å; L417-Y423 HydrophobicContact CG-CE2 4.39Å
418	S	86.1	Confident	89.9	Confident	15 Å²	15	37.8 Å²	37.8	11%	0.105	20%	0.204	C	C	.	.			trans	-155.6	135.7	172.3	-167.3	0	0	0	0	110.6	T416 F608 K646 L647	T416-S418 PolarHBondContact O-N 3.28Å; S418-F608 WeakPolarHBondContact O-CD2 3.37Å; S418-F608 WeakPolarHBondContact O-CE2 3.39Å; S418-K646 VanDerWaalsContact CB-O 3.29Å; S418-K646 WeakPolarHBondContact CB-O 3.31Å; S418-K646 PolarHBondContact OG-O 2.74Å; S418-L647 PolarHBondContact OG-O 2.93Å
419	P	89.2	Confident	90.2	Very high	30 Å²	30	34.9 Å²	34.9	20%	0.195	19%	0.19	C	C	.	.	S	Bend	cis	-75.6	155.2	-11.7	35.9	-31	0	0	0	110.7	D421 M422 F608	P419-D421 WeakPolarHBondContact CB-OD1 3.08Å; P419-D421 VanDerWaalsContact CG-OD1 3.3Å; P419-D421 WeakPolarHBondContact CG-OD1 3.38Å; P419-M422 HydrophobicContact CG-CB 4.42Å; P419-F608 VanDerWaalsContact CD-CD2 3.42Å
420	L	89.1	Confident	90.2	Very high	34 Å²	34	39.8 Å²	39.8	18%	0.178	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.3	-174.3	-68.5	-179.7	0	0	0	113.1	L417 M422 Y423 P424 M434 V716	L417-L420 HydrophobicContact CB-CD2 3.57Å; L417-L420 HydrophobicContact CD1-CD2 4.38Å; L420-M422 PolarHBondContact O-N 3.02Å; L420-Y423 PolarHBondContact O-N 3.01Å; L420-P424 WeakPolarHBondContact O-CD 3.15Å; L420-M434 HydrophobicContact CB-CE 3.67Å; L420-V716 HydrophobicContact CD1-CG2 4.45Å
421	D	89.7	Confident	90.2	Very high	70 Å²	70	39.6 Å²	39.6	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.7	-178	73.1	-51.4	0	0	0	113.6	P419 K425	P419-D421 WeakPolarHBondContact CB-OD1 3.08Å; P419-D421 VanDerWaalsContact CG-OD1 3.3Å; P419-D421 WeakPolarHBondContact CG-OD1 3.38Å; D421-K425 WeakPolarHBondContact O-CD 3.02Å; D421-K425 WeakPolarHBondContact O-CG 3.35Å; D421-K425 IonicContact OD2-NZ 3.7Å; D421-K425 PolarHBondContact OD2-NZ 2.72Å
422	M	90.4	Very high	90	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-71.9	-34.9	179.8	-164.9	69.3	169.9	0	0	112.5	P419 L420 K425 M426 I600 F605 F608	P419-M422 HydrophobicContact CG-CB 4.42Å; L420-M422 PolarHBondContact O-N 3.02Å; M422-K425 PolarHBondContact O-N 2.67Å; M422-M426 HydrophobicContact CE-CG 4.24Å; M422-M426 HydrophobicContact CE-SD 3.9Å; M422-M426 HydrophobicContact CG-CE 3.8Å; M422-M426 HydrophobicContact CG-CG 4.2Å; M422-M426 HydrophobicContact CG-SD 3.87Å; M422-M426 WeakPolarHBondContact O-CB 3.41Å; M422-M426 VanDerWaalsContact O-CG 3.29Å; M422-M426 WeakPolarHBondContact O-CG 3.39Å; M422-M426 PolarHBondContact O-N 3.16Å; M422-I600 HydrophobicContact CE-CD1 3.92Å; M422-I600 HydrophobicContact CE-CG2 3.58Å; M422-I600 HydrophobicContact SD-CD1 4.13Å; M422-I600 HydrophobicContact SD-CG2 4.38Å; M422-F605 HydrophobicContact CE-CB 4.11Å; M422-F605 HydrophobicContact CE-CD2 3.63Å; M422-F605 HydrophobicContact CE-CG 4.36Å; M422-F608 HydrophobicContact CB-CD2 4.28Å; M422-F608 HydrophobicContact CB-CE2 4.01Å; M422-F608 HydrophobicContact CB-CZ 4.15Å; M422-F608 HydrophobicContact CE-CB 4.47Å; M422-F608 HydrophobicContact CE-CD1 3.98Å; M422-F608 HydrophobicContact CE-CG 4.35Å; M422-F608 HydrophobicContact CG-CD1 3.8Å; M422-F608 HydrophobicContact CG-CD2 4.11Å; M422-F608 HydrophobicContact CG-CE1 3.78Å; M422-F608 HydrophobicContact CG-CE2 4.05Å; M422-F608 HydrophobicContact CG-CG 3.94Å; M422-F608 HydrophobicContact CG-CZ 3.88Å
423	Y	92	Very high	89.9	Confident	8 Å²	8	44.1 Å²	44.1	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-47.7	-175.4	-67.7	-89.9	0	0	0	112.8	H196 I198 L417 L420 K425 M426 L427 F608	H196-Y423 PolarHBondContact O-OH 3.3Å; I198-Y423 HydrophobicContact CG2-CD1 4.46Å; L417-Y423 HydrophobicContact CB-CE2 3.92Å; L417-Y423 HydrophobicContact CD2-CE1 3.92Å; L417-Y423 HydrophobicContact CD2-CE2 3.82Å; L417-Y423 VanDerWaalsContact CD2-CZ 3.43Å; L417-Y423 WeakPolarHBondContact CD2-OH 3.29Å; L417-Y423 HydrophobicContact CG-CE2 4.39Å; L420-Y423 PolarHBondContact O-N 3.01Å; Y423-K425 VanDerWaalsContact C-N 3.3Å; Y423-K425 PolarHBondContact O-N 3.43Å; Y423-M426 HydrophobicContact CD1-CE 4.25Å; Y423-M426 PolarHBondContact O-N 3.16Å; Y423-L427 WeakPolarHBondContact O-CB 3.34Å; Y423-L427 PolarHBondContact O-N 3.29Å; Y423-F608 HydrophobicContact CE1-CZ 4.36Å; Y423-F608 HydrophobicContact CE2-CE2 4.04Å; Y423-F608 AromaticContact CE2-CZ 3.94Å; Y423-F608 HydrophobicContact CE2-CZ 3.94Å; Y423-F608 AromaticContact CZ-CZ 3.79Å
424	P	92.5	Very high	89.8	Confident	23 Å²	23	44.6 Å²	44.6	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-44.6	172	-29	37.8	0	0	0	112.7	L420 D428 F429 P431 M434	L420-P424 WeakPolarHBondContact O-CD 3.15Å; P424-D428 WeakPolarHBondContact O-CA 3.48Å; P424-D428 PolarHBondContact O-N 2.71Å; P424-F429 HydrophobicContact CB-CE1 4.4Å; P424-F429 WeakPolarHBondContact CB-O 3.46Å; P424-F429 HydrophobicContact CG-CE1 4.38Å; P424-F429 HydrophobicContact CG-CZ 4.18Å; P424-F429 PolarHBondContact O-N 3.29Å; P424-P431 HydrophobicContact CG-CG 3.88Å; P424-M434 HydrophobicContact CG-CE 4.31Å; P424-M434 HydrophobicContact CG-SD 3.93Å
425	K	91.2	Very high	89.7	Confident	102 Å²	102	46 Å²	46	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-42.3	179.2	-69	172	-174.6	163.5	0	112.9	D421 M422 Y423 F598 I600	D421-K425 WeakPolarHBondContact O-CD 3.02Å; D421-K425 WeakPolarHBondContact O-CG 3.35Å; D421-K425 IonicContact OD2-NZ 3.7Å; D421-K425 PolarHBondContact OD2-NZ 2.72Å; M422-K425 PolarHBondContact O-N 2.67Å; Y423-K425 VanDerWaalsContact C-N 3.3Å; Y423-K425 PolarHBondContact O-N 3.43Å; K425-F598 WeakPolarHBondContact O-CD1 3.47Å; K425-F598 WeakPolarHBondContact O-CE1 2.93Å; K425-I600 HydrophobicContact CB-CD1 4.3Å
426	M	90.5	Very high	89.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-78.6	-35.1	-177.5	-70.6	-174.6	-52.6	0	0	113.4	P396 M422 Y423 I600 F605 F608	P396-M426 WeakPolarHBondContact CG-O 3.49Å; M422-M426 HydrophobicContact CE-CG 4.24Å; M422-M426 HydrophobicContact CE-SD 3.9Å; M422-M426 HydrophobicContact CG-CE 3.8Å; M422-M426 HydrophobicContact CG-CG 4.2Å; M422-M426 HydrophobicContact CG-SD 3.87Å; M422-M426 WeakPolarHBondContact O-CB 3.41Å; M422-M426 VanDerWaalsContact O-CG 3.29Å; M422-M426 WeakPolarHBondContact O-CG 3.39Å; M422-M426 PolarHBondContact O-N 3.16Å; Y423-M426 HydrophobicContact CD1-CE 4.25Å; Y423-M426 PolarHBondContact O-N 3.16Å; M426-I600 HydrophobicContact CG-CD1 4.04Å; M426-F605 HydrophobicContact SD-CD2 4.17Å; M426-F605 HydrophobicContact SD-CE2 3.87Å; M426-F608 HydrophobicContact CE-CE1 3.57Å; M426-F608 HydrophobicContact CE-CZ 3.85Å; M426-F608 HydrophobicContact SD-CE1 3.98Å
427	L	91.7	Very high	89.7	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-96.6	-1	-174.6	-61.6	175.5	0	0	0	113	I198 P396 S397 I400 I412 Y423 F429	I198-L427 HydrophobicContact CG2-CD1 3.79Å; I198-L427 HydrophobicContact CG2-CD2 4.45Å; P396-L427 HydrophobicContact CB-CD2 3.91Å; P396-L427 HydrophobicContact CG-CD2 4.03Å; S397-L427 WeakPolarHBondContact CB-O 3.21Å; I400-L427 HydrophobicContact CD1-CD1 4.36Å; I400-L427 HydrophobicContact CG2-CB 4.44Å; I400-L427 HydrophobicContact CG2-CD2 4.33Å; I412-L427 HydrophobicContact CD1-CD1 4.43Å; Y423-L427 WeakPolarHBondContact O-CB 3.34Å; Y423-L427 PolarHBondContact O-N 3.29Å; L427-F429 HydrophobicContact CB-CD1 3.61Å; L427-F429 HydrophobicContact CB-CE1 3.8Å; L427-F429 HydrophobicContact CD1-CE1 3.98Å; L427-F429 HydrophobicContact CG-CE1 4.45Å
428	D	90.1	Very high	89.4	Confident	110 Å²	110	50.9 Å²	50.9	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	57	177.8	-165.2	34.8	0	0	0	112.8	P424 F598	P424-D428 WeakPolarHBondContact O-CA 3.48Å; P424-D428 PolarHBondContact O-N 2.71Å; D428-F598 HydrophobicContact CB-CE1 4.4Å
429	F	91.8	Very high	89	Confident	54 Å²	54	50.9 Å²	50.9	24%	0.237	29%	0.291	C	S	.	.			trans	-140.7	156.7	176.4	77.8	-77	0	0	0	111.9	F404 I412 P424 L427 P431	F404-F429 HydrophobicContact CD2-CB 4.03Å; F404-F429 HydrophobicContact CE2-CB 3.77Å; F404-F429 HydrophobicContact CE2-CD1 4Å; F404-F429 AromaticContact CE2-CG 3.93Å; F404-F429 HydrophobicContact CE2-CG 3.93Å; F404-F429 HydrophobicContact CZ-CB 4.31Å; F404-F429 HydrophobicContact CZ-CD1 4.05Å; F404-F429 HydrophobicContact CZ-CD2 4.44Å; F404-F429 HydrophobicContact CZ-CE1 4.5Å; F404-F429 HydrophobicContact CZ-CG 4.02Å; I412-F429 HydrophobicContact CD1-CE1 4.46Å; I412-F429 HydrophobicContact CD1-CZ 4.04Å; P424-F429 HydrophobicContact CB-CE1 4.4Å; P424-F429 WeakPolarHBondContact CB-O 3.46Å; P424-F429 HydrophobicContact CG-CE1 4.38Å; P424-F429 HydrophobicContact CG-CZ 4.18Å; P424-F429 PolarHBondContact O-N 3.29Å; L427-F429 HydrophobicContact CB-CD1 3.61Å; L427-F429 HydrophobicContact CB-CE1 3.8Å; L427-F429 HydrophobicContact CD1-CE1 3.98Å; L427-F429 HydrophobicContact CG-CE1 4.45Å; F429-P431 HydrophobicContact CD2-CB 4.36Å; F429-P431 HydrophobicContact CE2-CB 3.82Å; F429-P431 HydrophobicContact CE2-CG 4.16Å
430	D	91.4	Very high	88.5	Confident	157 Å²	157	51.7 Å²	51.7	84%	0.84	30%	0.296	S	S	*	.			trans	-109.8	104.6	176.5	-169.5	23.3	0	0	0	109.8
431	P	92.5	Very high	88.1	Confident	31 Å²	31	51.6 Å²	51.6	20%	0.201	30%	0.295	C	S	.	.			trans	-71.8	134.1	179.3	26	-31.4	0	0	0	111.7	P424 F429 V433 M434	P424-P431 HydrophobicContact CG-CG 3.88Å; F429-P431 HydrophobicContact CD2-CB 4.36Å; F429-P431 HydrophobicContact CE2-CB 3.82Å; F429-P431 HydrophobicContact CE2-CG 4.16Å; P431-V433 PolarHBondContact O-N 3.48Å; P431-M434 HydrophobicContact CB-CG 3.83Å; P431-M434 HydrophobicContact CG-CG 3.31Å; P431-M434 HydrophobicContact CG-SD 3.39Å; P431-M434 WeakPolarHBondContact CG-SD 3.23Å
432	A	91	Very high	87.8	Confident	108 Å²	108	49.9 Å²	49.9	89%	0.893	29%	0.291	S	S	*	.	S	Bend	trans	-64.7	-30.3	170	0	0	0	0	0	112.9
433	V	90.5	Very high	87.5	Confident	98 Å²	98	50.8 Å²	50.8	59%	0.594	29%	0.294	S	S	*	.			trans	-140	127.8	179.8	-179.5	0	0	0	0	109.7	P431 A435	P431-V433 PolarHBondContact O-N 3.48Å; V433-A435 HydrophobicContact CG1-CB 4.23Å
434	M	90.1	Very high	87.2	Confident	45 Å²	45	53.3 Å²	53.3	22%	0.222	31%	0.311	C	S	.	.			trans	-119	106.3	168.4	-73	177.1	57.1	0	0	109.4	L420 P424 P431 V716	L420-M434 HydrophobicContact CB-CE 3.67Å; P424-M434 HydrophobicContact CG-CE 4.31Å; P424-M434 HydrophobicContact CG-SD 3.93Å; P431-M434 HydrophobicContact CB-CG 3.83Å; P431-M434 HydrophobicContact CG-CG 3.31Å; P431-M434 HydrophobicContact CG-SD 3.39Å; P431-M434 WeakPolarHBondContact CG-SD 3.23Å; M434-V716 PolarHBondContact O-N 3.02Å
435	A	87.9	Confident	86.8	Confident	33 Å²	33	52.3 Å²	52.3	27%	0.273	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-123.7	131.4	-175.9	0	0	0	0	0	112.3	V433 F437 M714	V433-A435 HydrophobicContact CG1-CB 4.23Å; A435-F437 HydrophobicContact CB-CE2 3.99Å; A435-F437 HydrophobicContact CB-CZ 4.03Å; A435-M714 WeakPolarHBondContact CA-O 3.43Å
436	S	86.2	Confident	86.7	Confident	29 Å²	29	47.7 Å²	47.7	20%	0.203	29%	0.285	C	S	.	.			trans	-117.4	104.8	173.8	-171	0	0	0	0	110.8	M714	S436-M714 PolarHBondContact N-O 2.88Å; S436-M714 WeakPolarHBondContact O-CB 3.38Å; S436-M714 VanDerWaalsContact O-CG 3.26Å; S436-M714 WeakPolarHBondContact O-CG 3.5Å
437	F	83.7	Confident	86.8	Confident	72 Å²	72	48.5 Å²	48.5	32%	0.316	29%	0.289	S	S	.	.			trans	-81.7	126.4	-179.8	-57	-86.6	0	0	0	111.6	M1 P2 A435 M714	M1-F437 HydrophobicContact CB-CD2 4.35Å; M1-F437 HydrophobicContact CE-CD2 4.49Å; M1-F437 HydrophobicContact CE-CE2 4.15Å; M1-F437 HydrophobicContact CE-CZ 4.38Å; M1-F437 HydrophobicContact CG-CD2 3.46Å; M1-F437 VanDerWaalsContact CG-CD2 3.46Å; M1-F437 HydrophobicContact CG-CE2 3.85Å; M1-F437 HydrophobicContact CG-CG 4.16Å; P2-F437 WeakPolarHBondContact CD-O 3.26Å; P2-F437 WeakPolarHBondContact CG-O 3.33Å; A435-F437 HydrophobicContact CB-CE2 3.99Å; A435-F437 HydrophobicContact CB-CZ 4.03Å; F437-M714 VanDerWaalsContact CA-CE 3.45Å; F437-M714 HydrophobicContact CB-CE 3.86Å; F437-M714 HydrophobicContact CB-SD 4.18Å; F437-M714 HydrophobicContact CD1-CE 3.9Å; F437-M714 HydrophobicContact CD1-SD 3.27Å; F437-M714 WeakPolarHBondContact CD1-SD 3.29Å; F437-M714 HydrophobicContact CE1-SD 3.92Å; F437-M714 HydrophobicContact CG-CE 4.35Å; F437-M714 HydrophobicContact CG-SD 4.06Å
438	S	79.4	Confident	86.9	Confident	33 Å²	33	48.4 Å²	48.4	23%	0.231	29%	0.289	C	S	.	.			trans	-76.4	162.6	166.7	62.2	0	0	0	0	111.6	D653 M714	S438-D653 WeakPolarHBondContact CB-OD2 3.21Å; S438-M714 WeakPolarHBondContact OG-CE 3.24Å
439	M	77.9	Confident	87.2	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.074	26%	0.261	C	S	.	.			trans	-96.6	111.7	178.8	-172.9	73.7	85.7	0	0	110.2	P2 S3 T5 L441 W650	P2-M439 HydrophobicContact CB-CE 3.47Å; P2-M439 VanDerWaalsContact CB-CE 3.47Å; P2-M439 HydrophobicContact CB-SD 4.35Å; P2-M439 HydrophobicContact CG-CB 4.39Å; P2-M439 HydrophobicContact CG-CE 4.3Å; S3-M439 WeakPolarHBondContact O-CE 3.24Å; T5-M439 HydrophobicContact CG2-CE 3.64Å; T5-M439 HydrophobicContact CG2-SD 3.44Å; T5-M439 WeakPolarHBondContact CG2-SD 3.29Å; M439-L441 HydrophobicContact CB-CG 4.47Å; M439-L441 HydrophobicContact CG-CD1 4.06Å; M439-L441 HydrophobicContact CG-CD2 3.38Å; M439-L441 HydrophobicContact CG-CG 3.52Å; M439-L441 HydrophobicContact SD-CD2 4.08Å; M439-W650 HydrophobicContact CB-CB 4Å
440	T	79.8	Confident	87.3	Confident	48 Å²	48	40.6 Å²	40.6	29%	0.294	25%	0.25	S	C	.	.			trans	-83.8	113.7	168.3	-53.9	0	0	0	0	109.7	I690	T440-I690 HydrophobicContact CG2-CG2 4.14Å
441	L	80.7	Confident	87.6	Confident	31 Å²	31	33.1 Å²	33.1	16%	0.162	21%	0.21	C	C	.	.			trans	-117.8	141.4	179.3	-56.9	172.3	0	0	0	110.4	M439 R443 C445 L446 K625	M439-L441 HydrophobicContact CB-CG 4.47Å; M439-L441 HydrophobicContact CG-CD1 4.06Å; M439-L441 HydrophobicContact CG-CD2 3.38Å; M439-L441 HydrophobicContact CG-CG 3.52Å; M439-L441 HydrophobicContact SD-CD2 4.08Å; L441-R443 VanDerWaalsContact C-N 3.27Å; L441-R443 WeakPolarHBondContact CB-O 3.46Å; L441-C445 HydrophobicContact CD1-CB 3.88Å; L441-C445 HydrophobicContact CD2-CB 4.44Å; L441-L446 HydrophobicContact CD1-CD2 3.84Å; L441-L446 HydrophobicContact CD1-CG 4.38Å; L441-K625 HydrophobicContact CD2-CB 4.37Å; L441-K625 HydrophobicContact CD2-CG 4.35Å
442	A	82.8	Confident	87.6	Confident	35 Å²	35	31.8 Å²	31.8	29%	0.289	20%	0.201	S	C	.	.	S	Bend	trans	-75.5	-17.8	172.9	0	0	0	0	0	112.9	F682 I690	A442-F682 HydrophobicContact CB-CE2 4.44Å; A442-F682 HydrophobicContact CB-CZ 4.11Å; A442-I690 HydrophobicContact CB-CB 4.18Å; A442-I690 HydrophobicContact CB-CD1 4.33Å; A442-I690 HydrophobicContact CB-CG2 4.17Å
443	R	84.5	Confident	87.7	Confident	31 Å²	31	28.8 Å²	28.8	12%	0.117	17%	0.168	C	C	.	.	S	Bend	trans	-142.1	158.1	175.1	63	-178.6	-102.1	176.7	-17.7	109.5	L441 C445 M678 F682	L441-R443 VanDerWaalsContact C-N 3.27Å; L441-R443 WeakPolarHBondContact CB-O 3.46Å; R443-C445 WeakPolarHBondContact CG-SG 3.44Å; R443-C445 PolarHBondContact O-N 2.87Å; R443-C445 PolarHBondContact O-SG 3.13Å; R443-M678 PolarHBondContact NE-SD 3.32Å; R443-M678 PolarHBondContact NH1-O 2.95Å; R443-M678 VanDerWaalsContact NH1-O 3.14Å; R443-M678 VanDerWaalsContact NH2-C 3.33Å; R443-M678 PolarHBondContact NH2-O 3.37Å; R443-M678 PolarHBondContact NH2-SD 3.26Å; R443-F682 HydrophobicContact CB-CE2 4.41Å; R443-F682 HydrophobicContact CG-CD2 4.46Å; R443-F682 HydrophobicContact CG-CE1 4.2Å; R443-F682 HydrophobicContact CG-CE2 3.96Å; R443-F682 HydrophobicContact CG-CZ 3.81Å
444	P	85	Confident	87.8	Confident	61 Å²	61	24.1 Å²	24.1	40%	0.396	14%	0.14	S	C	.	.			trans	-73.6	74.1	178.6	31.3	-36.4	0	0	0	111	L446 W674 M678	P444-L446 PolarHBondContact O-N 3.21Å; P444-L446 VanDerWaalsContact O-N 3.1Å; P444-W674 PolarHBondContact O-NE1 2.93Å; P444-M678 HydrophobicContact CG-CE 4.07Å; P444-M678 VanDerWaalsContact O-SD 3.37Å
445	C	84.7	Confident	87.8	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.02	14%	0.144	C	C	.	.			trans	-62.4	-15.6	-178	-60.5	0	0	0	0	113.5	L441 R443 K625 D627 Y628 G629 W674	L441-C445 HydrophobicContact CD1-CB 3.88Å; L441-C445 HydrophobicContact CD2-CB 4.44Å; R443-C445 WeakPolarHBondContact CG-SG 3.44Å; R443-C445 PolarHBondContact O-N 2.87Å; R443-C445 PolarHBondContact O-SG 3.13Å; C445-K625 PolarHBondContact SG-O 3.07Å; C445-D627 VanDerWaalsContact CB-O 3.29Å; C445-D627 WeakPolarHBondContact CB-O 3.46Å; C445-Y628 CarbonylContact O-C 3.52Å; C445-Y628 WeakPolarHBondContact O-CA 3.38Å; C445-Y628 WeakPolarHBondContact O-CB 3.48Å; C445-G629 PolarHBondContact O-N 3.48Å; C445-W674 WeakPolarHBondContact O-CZ2 3.33Å
446	L	89.2	Confident	88	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.8	-180	64.6	100.4	0	0	0	110.7	L441 P444 P448 L622 G629 M631 W650 H654	L441-L446 HydrophobicContact CD1-CD2 3.84Å; L441-L446 HydrophobicContact CD1-CG 4.38Å; P444-L446 PolarHBondContact O-N 3.21Å; P444-L446 VanDerWaalsContact O-N 3.1Å; L446-P448 HydrophobicContact CD1-CG 4.2Å; L446-L622 HydrophobicContact CB-CD1 4.03Å; L446-L622 HydrophobicContact CD2-CD1 3.81Å; L446-G629 WeakPolarHBondContact CA-O 3.47Å; L446-M631 HydrophobicContact CB-CE 4.39Å; L446-W650 HydrophobicContact CD2-CE3 3.87Å; L446-W650 HydrophobicContact CD2-CZ3 3.98Å; L446-H654 HydrophobicContact CD1-CB 3.24Å; L446-H654 HydrophobicContact CG-CB 4.18Å
447	L	92.1	Very high	88.2	Confident	18 Å²	18	31 Å²	31	9%	0.094	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	94.1	175.5	-178.7	62.5	0	0	0	109.9	L449 G629 L630 M631 N659 W674	L447-L449 HydrophobicContact CD1-CD2 3.78Å; L447-L449 HydrophobicContact CD2-CD1 4.25Å; L447-L449 HydrophobicContact CD2-CD2 4.06Å; L447-L449 HydrophobicContact CD2-CG 4.28Å; L447-L449 HydrophobicContact CG-CD1 4.46Å; L447-L449 HydrophobicContact CG-CD2 3.72Å; L447-L449 HydrophobicContact CG-CG 3.96Å; L447-G629 PolarHBondContact N-O 2.97Å; L447-L630 HydrophobicContact CB-CD1 4Å; L447-L630 HydrophobicContact CD2-CD1 3.77Å; L447-L630 HydrophobicContact CG-CD1 3.98Å; L447-M631 PolarHBondContact O-N 2.85Å; L447-N659 WeakPolarHBondContact CD1-ND2 3.35Å; L447-W674 HydrophobicContact CB-CD2 3.76Å; L447-W674 HydrophobicContact CB-CE3 4.29Å; L447-W674 HydrophobicContact CB-CG 4.02Å; L447-W674 HydrophobicContact CB-CZ2 4.04Å; L447-W674 HydrophobicContact CD2-CB 3.5Å; L447-W674 VanDerWaalsContact CD2-CB 3.5Å; L447-W674 HydrophobicContact CD2-CD2 3.88Å; L447-W674 HydrophobicContact CD2-CE3 4.36Å; L447-W674 HydrophobicContact CD2-CG 3.49Å; L447-W674 VanDerWaalsContact CD2-CG 3.49Å; L447-W674 HydrophobicContact CG-CD2 4.45Å; L447-W674 HydrophobicContact CG-CG 4.29Å
448	P	93.9	Very high	88.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125	170.8	31.6	-33.5	0	0	0	109.9	L446 M631 F633 I651 H654 L655	L446-P448 HydrophobicContact CD1-CG 4.2Å; P448-M631 CarbonylContact C-O 3.5Å; P448-M631 VanDerWaalsContact CA-O 3.29Å; P448-M631 WeakPolarHBondContact CA-O 3.3Å; P448-M631 HydrophobicContact CB-CB 4.46Å; P448-F633 HydrophobicContact CB-CE2 4.26Å; P448-I651 HydrophobicContact CB-CG2 3.92Å; P448-I651 HydrophobicContact CG-CG2 4.24Å; P448-H654 HydrophobicContact CG-CB 4.09Å; P448-L655 HydrophobicContact CB-CD1 4.1Å; P448-L655 HydrophobicContact CG-CB 3.97Å; P448-L655 HydrophobicContact CG-CD1 4.22Å; P448-L655 WeakPolarHBondContact O-CD1 3.3Å
449	L	95.2	Very high	89.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	177.6	-58.9	-176.5	0	0	0	109.2	L447 L630 M631 F633 N659 L662 A667 L670	L447-L449 HydrophobicContact CD1-CD2 3.78Å; L447-L449 HydrophobicContact CD2-CD1 4.25Å; L447-L449 HydrophobicContact CD2-CD2 4.06Å; L447-L449 HydrophobicContact CD2-CG 4.28Å; L447-L449 HydrophobicContact CG-CD1 4.46Å; L447-L449 HydrophobicContact CG-CD2 3.72Å; L447-L449 HydrophobicContact CG-CG 3.96Å; L449-L630 HydrophobicContact CD1-CD1 3.92Å; L449-L630 HydrophobicContact CG-CD1 4.3Å; L449-M631 PolarHBondContact N-O 2.95Å; L449-F633 PolarHBondContact O-N 2.73Å; L449-N659 HydrophobicContact CD2-CB 3.83Å; L449-L662 HydrophobicContact CB-CD1 4.04Å; L449-L662 HydrophobicContact CD1-CD1 4.48Å; L449-L662 HydrophobicContact CD2-CD1 3.85Å; L449-L662 HydrophobicContact CG-CD1 4.34Å; L449-A667 HydrophobicContact CD1-CB 4.17Å; L449-L670 HydrophobicContact CD1-CB 4.49Å; L449-L670 HydrophobicContact CD2-CD1 4.23Å
450	I	95.9	Very high	89.9	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	107.4	170.9	-61	167.6	0	0	0	108.9	F633 S639 L655 N659 N661 L662	I450-F633 WeakPolarHBondContact CA-O 3.39Å; I450-F633 HydrophobicContact CG1-CB 4.15Å; I450-F633 HydrophobicContact CG1-CD2 4.46Å; I450-S639 WeakPolarHBondContact CG2-OG 3.48Å; I450-L655 HydrophobicContact CD1-CD1 4.06Å; I450-L655 HydrophobicContact CD1-CD2 3.68Å; I450-L655 HydrophobicContact CD1-CG 4.42Å; I450-L655 HydrophobicContact CG1-CD1 4.1Å; I450-L655 HydrophobicContact CG1-CD2 4.49Å; I450-N659 PolarHBondContact N-O 3.38Å; I450-N661 PolarHBondContact O-N 3.09Å; I450-L662 PolarHBondContact O-N 2.78Å
451	V	95.7	Very high	90.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112	175.7	-176.4	0	0	0	0	108.1	I460 L479 I632 F633 A634 D635 I664 A667	V451-I460 HydrophobicContact CG1-CD1 4.05Å; V451-L479 HydrophobicContact CG1-CD1 4.45Å; V451-L479 HydrophobicContact CG2-CD1 4.38Å; V451-I632 HydrophobicContact CB-CG2 4.41Å; V451-I632 HydrophobicContact CG2-CG2 3.68Å; V451-F633 PolarHBondContact N-O 3.39Å; V451-A634 CarbonylContact O-C 3.52Å; V451-D635 PolarHBondContact O-N 2.77Å; V451-D635 VanDerWaalsContact O-N 3.13Å; V451-I664 HydrophobicContact CG1-CG1 4.04Å; V451-A667 HydrophobicContact CG2-CB 3.54Å
452	S	93.3	Very high	91	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-21.7	-170.1	64.4	0	0	0	0	113.8	A459 I460 N661 L662	S452-A459 WeakPolarHBondContact O-CA 3.39Å; S452-I460 PolarHBondContact O-N 3.45Å; S452-N661 WeakPolarHBondContact CB-OD1 3.13Å; S452-N661 WeakPolarHBondContact OG-CA 3.02Å; S452-N661 VanDerWaalsContact OG-CG 3.27Å; S452-N661 PolarHBondContact OG-O 3.44Å; S452-N661 PolarHBondContact OG-OD1 2.88Å; S452-L662 PolarHBondContact N-O 2.88Å; S452-L662 PolarHBondContact OG-O 3.16Å
453	K	93.6	Very high	91.2	Very high	46 Å²	46	30 Å²	30	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.7	-171.6	59	-174.7	-179.7	159.7	0	111	Q457 I458 L662 S663 I664	K453-Q457 VanDerWaalsContact NZ-OE1 3.08Å; K453-I458 CarbonylContact C-O 3.56Å; K453-I458 VanDerWaalsContact CA-O 3.25Å; K453-I458 WeakPolarHBondContact CA-O 3.22Å; K453-L662 PolarHBondContact N-O 2.98Å; K453-S663 WeakPolarHBondContact O-CA 3.44Å; K453-I664 PolarHBondContact O-N 2.95Å
454	G	92	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.			trans	-71.5	174.4	171.6	0	0	0	0	0	112.2	D456 Q457 I458	G454-D456 WeakPolarHBondContact CA-OD1 3.38Å; G454-D456 PolarHBondContact O-N 3.17Å; G454-Q457 PolarHBondContact O-N 3.04Å; G454-I458 PolarHBondContact N-O 3.28Å
455	N	91.1	Very high	90.9	Very high	59 Å²	59	40.8 Å²	40.8	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.3	172.2	-70.4	-17.6	0	0	0	111.5	Q457 E482 I664 E665	N455-Q457 PolarHBondContact O-N 3.01Å; N455-E482 PolarHBondContact ND2-OE1 3.43Å; N455-I664 WeakPolarHBondContact OD1-CB 3.33Å; N455-E665 PolarHBondContact OD1-N 3.27Å
456	D	91.5	Very high	90.8	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	6	171	59.5	3.3	0	0	0	114.2	G454 I458 N475	G454-D456 WeakPolarHBondContact CA-OD1 3.38Å; G454-D456 PolarHBondContact O-N 3.17Å; D456-I458 HydrophobicContact CB-CG1 4.32Å; D456-I458 PolarHBondContact O-N 2.92Å; D456-I458 WeakPolarHBondContact OD1-CB 3.47Å; D456-I458 PolarHBondContact OD1-N 3.03Å; D456-I458 VanDerWaalsContact OD2-CD1 3.28Å; D456-I458 WeakPolarHBondContact OD2-CD1 3.41Å; D456-N475 VanDerWaalsContact CG-ND2 3.32Å; D456-N475 PolarHBondContact OD1-ND2 3.15Å; D456-N475 PolarHBondContact OD1-OD1 3.16Å; D456-N475 PolarHBondContact OD2-ND2 3.5Å
457	Q	90.3	Very high	90.5	Very high	119 Å²	119	46 Å²	46	56%	0.556	22%	0.223	S	C	*	.			trans	62.8	8.9	-173.9	-53.1	-61.3	-57.3	0	0	115.2	K453 G454 N455	K453-Q457 VanDerWaalsContact NZ-OE1 3.08Å; G454-Q457 PolarHBondContact O-N 3.04Å; N455-Q457 PolarHBondContact O-N 3.01Å
458	I	92	Very high	90.1	Very high	62 Å²	62	51.3 Å²	51.3	32%	0.318	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-73.1	135.3	175	-61.9	-178.7	0	0	0	109.1	K453 G454 D456 I460	K453-I458 CarbonylContact C-O 3.56Å; K453-I458 VanDerWaalsContact CA-O 3.25Å; K453-I458 WeakPolarHBondContact CA-O 3.22Å; G454-I458 PolarHBondContact N-O 3.28Å; D456-I458 HydrophobicContact CB-CG1 4.32Å; D456-I458 PolarHBondContact O-N 2.92Å; D456-I458 WeakPolarHBondContact OD1-CB 3.47Å; D456-I458 PolarHBondContact OD1-N 3.03Å; D456-I458 VanDerWaalsContact OD2-CD1 3.28Å; D456-I458 WeakPolarHBondContact OD2-CD1 3.41Å; I458-I460 PolarHBondContact O-N 3.39Å
459	A	92.7	Very high	90	Very high	37 Å²	37	54.1 Å²	54.1	31%	0.306	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-65.6	125.7	179.2	0	0	0	0	0	111	S452 K636	S452-A459 WeakPolarHBondContact O-CA 3.39Å; A459-K636 HydrophobicContact CB-CD 3.82Å
460	I	92.9	Very high	89.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-83.2	122.2	175.4	-65.3	175.4	0	0	0	108.2	V451 S452 I458 N475 Y476 D635 K636 I664	V451-I460 HydrophobicContact CG1-CD1 4.05Å; S452-I460 PolarHBondContact O-N 3.45Å; I458-I460 PolarHBondContact O-N 3.39Å; I460-N475 HydrophobicContact CD1-CB 4.11Å; I460-N475 HydrophobicContact CG1-CB 4.07Å; I460-Y476 HydrophobicContact CG2-CD1 3.93Å; I460-Y476 HydrophobicContact CG2-CE1 3.21Å; I460-Y476 HydrophobicContact CG2-CE2 4.13Å; I460-Y476 VanDerWaalsContact CG2-OH 3.29Å; I460-Y476 WeakPolarHBondContact CG2-OH 3.39Å; I460-D635 CarbonylContact O-C 3.58Å; I460-D635 WeakPolarHBondContact O-CA 3.36Å; I460-K636 PolarHBondContact O-N 3.46Å; I460-I664 HydrophobicContact CD1-CD1 4.11Å; I460-I664 HydrophobicContact CD1-CG1 4.11Å
461	T	92.5	Very high	89.6	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	29%	0.293	C	S	.	.			trans	-155.3	154	-175.9	172.7	0	0	0	0	110.6	K463 D466 V472 Y476	T461-K463 WeakPolarHBondContact OG1-CG 3.14Å; T461-K463 PolarHBondContact OG1-N 3.46Å; T461-K463 VanDerWaalsContact OG1-N 3.12Å; T461-D466 HydrophobicContact CG2-CB 3.74Å; T461-D466 VanDerWaalsContact CG2-OD2 3.28Å; T461-D466 WeakPolarHBondContact CG2-OD2 2.98Å; T461-V472 VanDerWaalsContact O-CG1 3.28Å; T461-V472 WeakPolarHBondContact O-CG1 3.34Å; T461-Y476 PolarHBondContact O-OH 2.91Å
462	T	89.2	Confident	89.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.			trans	-117.7	30	168.6	52.9	0	0	0	0	111.9	R467 Y476 T496 Y500 G576 V577 D635 R637	T462-R467 PolarHBondContact O-NE 3.06Å; T462-R467 PolarHBondContact O-NH2 3.01Å; T462-Y476 HydrophobicContact CG2-CE2 3.94Å; T462-Y476 VanDerWaalsContact CG2-OH 3.3Å; T462-Y476 WeakPolarHBondContact CG2-OH 3.36Å; T462-T496 HydrophobicContact CG2-CG2 4.38Å; T462-Y500 HydrophobicContact CG2-CD1 4.44Å; T462-Y500 HydrophobicContact CG2-CE1 3.62Å; T462-G576 WeakPolarHBondContact OG1-CA 3.45Å; T462-V577 PolarHBondContact OG1-N 3.37Å; T462-D635 PolarHBondContact N-OD2 3.38Å; T462-D635 PolarHBondContact OG1-OD2 3.23Å; T462-R637 PolarHBondContact OG1-NH2 3.15Å
463	K	87.1	Confident	89.4	Confident	105 Å²	105	58.4 Å²	58.4	46%	0.457	30%	0.297	S	S	.	.			trans	-56.1	142.2	165.3	-79.3	179.7	178.1	-171.6	0	109.5	T461 E465 D466 R467	T461-K463 WeakPolarHBondContact OG1-CG 3.14Å; T461-K463 PolarHBondContact OG1-N 3.46Å; T461-K463 VanDerWaalsContact OG1-N 3.12Å; K463-E465 VanDerWaalsContact C-N 3.28Å; K463-E465 PolarHBondContact O-N 2.79Å; K463-D466 PolarHBondContact O-N 2.94Å; K463-R467 WeakPolarHBondContact O-CG 3.4Å; K463-R467 PolarHBondContact O-N 3.34Å; K463-R467 VanDerWaalsContact O-N 3.13Å
464	F	82	Confident	89.4	Confident	148 Å²	148	61.6 Å²	61.6	65%	0.649	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-53.4	-44.5	-172	-175.7	-101.1	0	0	0	113	D466 R467	F464-D466 VanDerWaalsContact C-N 3.29Å; F464-D466 PolarHBondContact O-N 2.82Å; F464-R467 PolarHBondContact O-N 3.35Å
465	E	81.7	Confident	89.6	Confident	170 Å²	170	61.9 Å²	61.9	79%	0.794	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.9	-33.6	177.8	-64.8	164.3	-168.2	0	0	113.5	K463	K463-E465 VanDerWaalsContact C-N 3.28Å; K463-E465 PolarHBondContact O-N 2.79Å
466	D	82.7	Confident	89.8	Confident	56 Å²	56	59.1 Å²	59.1	30%	0.299	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-97.2	-2	-174.3	-55.3	-45.7	0	0	0	112.7	T461 K463 F464 D468 D469	T461-D466 HydrophobicContact CG2-CB 3.74Å; T461-D466 VanDerWaalsContact CG2-OD2 3.28Å; T461-D466 WeakPolarHBondContact CG2-OD2 2.98Å; K463-D466 PolarHBondContact O-N 2.94Å; F464-D466 VanDerWaalsContact C-N 3.29Å; F464-D466 PolarHBondContact O-N 2.82Å; D466-D468 VanDerWaalsContact C-N 3.34Å; D466-D468 PolarHBondContact O-N 3.46Å; D466-D469 WeakPolarHBondContact O-CB 3.5Å; D466-D469 PolarHBondContact O-N 3.37Å
467	R	82.8	Confident	89.9	Confident	62 Å²	62	55.7 Å²	55.7	23%	0.234	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-36.2	-173.6	-84.4	174.6	-169.8	-175.3	-1.1	113	T462 K463 F464 D469 Y500	T462-R467 PolarHBondContact O-NE 3.06Å; T462-R467 PolarHBondContact O-NH2 3.01Å; K463-R467 WeakPolarHBondContact O-CG 3.4Å; K463-R467 PolarHBondContact O-N 3.34Å; K463-R467 VanDerWaalsContact O-N 3.13Å; F464-R467 PolarHBondContact O-N 3.35Å; R467-D469 VanDerWaalsContact C-N 3.27Å; R467-Y500 HydrophobicContact CB-CD2 4.34Å; R467-Y500 HydrophobicContact CB-CE2 4.02Å; R467-Y500 HydrophobicContact CG-CD2 4.22Å; R467-Y500 HydrophobicContact CG-CE2 3.99Å
468	D	84.7	Confident	90.2	Very high	129 Å²	129	51.5 Å²	51.5	69%	0.69	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.3	-178.9	-63.9	-31.6	0	0	0	112.2	D466 A470	D466-D468 VanDerWaalsContact C-N 3.34Å; D466-D468 PolarHBondContact O-N 3.46Å; D468-A470 PolarHBondContact O-N 3.38Å; D468-A470 VanDerWaalsContact O-N 3.14Å
469	D	90.3	Very high	90.4	Very high	59 Å²	59	48.6 Å²	48.6	32%	0.316	24%	0.244	S	C	.	.			trans	-66.4	115.3	174.9	-175.1	0.4	0	0	0	110.5	D466 R467 S471 V472 M473	D466-D469 WeakPolarHBondContact O-CB 3.5Å; D466-D469 PolarHBondContact O-N 3.37Å; R467-D469 VanDerWaalsContact C-N 3.27Å; D469-S471 PolarHBondContact O-N 2.64Å; D469-S471 WeakPolarHBondContact OD1-CB 3.16Å; D469-S471 PolarHBondContact OD1-N 2.96Å; D469-S471 PolarHBondContact OD1-OG 2.59Å; D469-V472 HydrophobicContact CB-CB 4.31Å; D469-V472 HydrophobicContact CB-CG2 4.04Å; D469-V472 PolarHBondContact O-N 3.17Å; D469-M473 PolarHBondContact O-N 3.41Å; D469-M473 VanDerWaalsContact O-N 3.11Å
470	A	91.5	Very high	90.5	Very high	38 Å²	38	46.9 Å²	46.9	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-54.7	-32	175.4	0	0	0	0	0	113	D468 R474 F507	D468-A470 PolarHBondContact O-N 3.38Å; D468-A470 VanDerWaalsContact O-N 3.14Å; A470-R474 VanDerWaalsContact O-CB 3.3Å; A470-R474 WeakPolarHBondContact O-CB 3.48Å; A470-R474 PolarHBondContact O-N 3.33Å; A470-F507 HydrophobicContact CB-CE2 3.95Å; A470-F507 HydrophobicContact CB-CZ 3.66Å; A470-F507 WeakPolarHBondContact O-CZ 3.13Å
471	S	91.9	Very high	90.6	Very high	34 Å²	34	48.2 Å²	48.2	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-44.1	-178.8	-43.5	0	0	0	0	111	D469 R474 N475	D469-S471 PolarHBondContact O-N 2.64Å; D469-S471 WeakPolarHBondContact OD1-CB 3.16Å; D469-S471 PolarHBondContact OD1-N 2.96Å; D469-S471 PolarHBondContact OD1-OG 2.59Å; S471-R474 WeakPolarHBondContact O-CB 3.44Å; S471-R474 PolarHBondContact O-N 2.6Å; S471-N475 PolarHBondContact O-N 3.06Å; S471-N475 PolarHBondContact O-ND2 3.41Å
472	V	92.7	Very high	90.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-46.5	176.3	176	0	0	0	0	110.8	T461 D469 R474 N475 Y476	T461-V472 VanDerWaalsContact O-CG1 3.28Å; T461-V472 WeakPolarHBondContact O-CG1 3.34Å; D469-V472 HydrophobicContact CB-CB 4.31Å; D469-V472 HydrophobicContact CB-CG2 4.04Å; D469-V472 PolarHBondContact O-N 3.17Å; V472-R474 VanDerWaalsContact C-N 3.28Å; V472-R474 PolarHBondContact O-N 2.89Å; V472-N475 PolarHBondContact O-N 2.92Å; V472-Y476 HydrophobicContact CG1-CD2 3.86Å; V472-Y476 HydrophobicContact CG1-CE2 3.47Å; V472-Y476 VanDerWaalsContact CG1-CE2 3.47Å; V472-Y476 VanDerWaalsContact O-CD2 3.32Å; V472-Y476 WeakPolarHBondContact O-CD2 3.36Å; V472-Y476 PolarHBondContact O-N 3.13Å
473	M	92.8	Very high	91.1	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.089	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-37.5	175.4	-73.7	-171.2	-79.5	0	0	112.3	D469 G477 T504 F507 W508	D469-M473 PolarHBondContact O-N 3.41Å; D469-M473 VanDerWaalsContact O-N 3.11Å; M473-G477 PolarHBondContact O-N 3Å; M473-G477 VanDerWaalsContact O-N 3.14Å; M473-T504 HydrophobicContact CG-CG2 4.49Å; M473-F507 HydrophobicContact CB-CD1 3.66Å; M473-F507 HydrophobicContact CB-CE1 3.71Å; M473-F507 HydrophobicContact CB-CG 4.44Å; M473-F507 HydrophobicContact CB-CZ 4.5Å; M473-F507 HydrophobicContact CE-CD2 4.24Å; M473-F507 HydrophobicContact CE-CE2 4.43Å; M473-F507 HydrophobicContact CE-CG 4.27Å; M473-F507 HydrophobicContact SD-CB 4.13Å; M473-F507 HydrophobicContact SD-CD1 4.29Å; M473-F507 HydrophobicContact SD-CG 4.15Å; M473-W508 PolarHBondContact O-NE1 2.99Å
474	R	93.9	Very high	91.4	Very high	114 Å²	114	45.7 Å²	45.7	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-47.3	173.7	-175	-173.9	-64.1	150.1	3	111.2	A470 S471 V472 Y476 G477 T478 F507	A470-R474 VanDerWaalsContact O-CB 3.3Å; A470-R474 WeakPolarHBondContact O-CB 3.48Å; A470-R474 PolarHBondContact O-N 3.33Å; S471-R474 WeakPolarHBondContact O-CB 3.44Å; S471-R474 PolarHBondContact O-N 2.6Å; V472-R474 VanDerWaalsContact C-N 3.28Å; V472-R474 PolarHBondContact O-N 2.89Å; R474-Y476 VanDerWaalsContact C-N 3.31Å; R474-Y476 PolarHBondContact O-N 3.45Å; R474-G477 CarbonylContact O-C 3.6Å; R474-G477 WeakPolarHBondContact O-CA 3.31Å; R474-G477 PolarHBondContact O-N 2.99Å; R474-T478 PolarHBondContact O-N 3.49Å; R474-T478 PolarHBondContact O-OG1 3.13Å; R474-T478 VanDerWaalsContact O-OG1 3.13Å; R474-F507 HydrophobicContact CB-CE1 4.5Å
475	N	94.6	Very high	92	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.032	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-37.9	179.2	-80.6	-35.1	0	0	0	112.8	D456 I460 S471 V472 G477 T478 L479 I664	D456-N475 VanDerWaalsContact CG-ND2 3.32Å; D456-N475 PolarHBondContact OD1-ND2 3.15Å; D456-N475 PolarHBondContact OD1-OD1 3.16Å; D456-N475 PolarHBondContact OD2-ND2 3.5Å; I460-N475 HydrophobicContact CD1-CB 4.11Å; I460-N475 HydrophobicContact CG1-CB 4.07Å; S471-N475 PolarHBondContact O-N 3.06Å; S471-N475 PolarHBondContact O-ND2 3.41Å; V472-N475 PolarHBondContact O-N 2.92Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 3.33Å; N475-T478 PolarHBondContact O-N 3.05Å; N475-L479 WeakPolarHBondContact O-CB 3.31Å; N475-L479 PolarHBondContact O-N 2.73Å; N475-I664 HydrophobicContact CB-CD1 4.3Å; N475-I664 VanDerWaalsContact O-CD1 3.3Å; N475-I664 WeakPolarHBondContact O-CD1 3.36Å
476	Y	95.2	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-40.9	170.2	-81.7	-48.3	0	0	0	112.9	I460 T461 T462 V472 R474 L479 L480 Y500 M575 A634	I460-Y476 HydrophobicContact CG2-CD1 3.93Å; I460-Y476 HydrophobicContact CG2-CE1 3.21Å; I460-Y476 HydrophobicContact CG2-CE2 4.13Å; I460-Y476 VanDerWaalsContact CG2-OH 3.29Å; I460-Y476 WeakPolarHBondContact CG2-OH 3.39Å; T461-Y476 PolarHBondContact O-OH 2.91Å; T462-Y476 HydrophobicContact CG2-CE2 3.94Å; T462-Y476 VanDerWaalsContact CG2-OH 3.3Å; T462-Y476 WeakPolarHBondContact CG2-OH 3.36Å; V472-Y476 HydrophobicContact CG1-CD2 3.86Å; V472-Y476 HydrophobicContact CG1-CE2 3.47Å; V472-Y476 VanDerWaalsContact CG1-CE2 3.47Å; V472-Y476 VanDerWaalsContact O-CD2 3.32Å; V472-Y476 WeakPolarHBondContact O-CD2 3.36Å; V472-Y476 PolarHBondContact O-N 3.13Å; R474-Y476 VanDerWaalsContact C-N 3.31Å; R474-Y476 PolarHBondContact O-N 3.45Å; Y476-L479 PolarHBondContact O-N 3.48Å; Y476-L480 PolarHBondContact O-N 3.43Å; Y476-L480 VanDerWaalsContact O-N 3.1Å; Y476-Y500 VanDerWaalsContact CE2-OH 3.25Å; Y476-Y500 WeakPolarHBondContact CE2-OH 3.37Å; Y476-M575 HydrophobicContact CD1-CE 3.24Å; Y476-M575 HydrophobicContact CD1-SD 3.6Å; Y476-M575 VanDerWaalsContact CD1-SD 3.6Å; Y476-M575 HydrophobicContact CE1-CB 4.48Å; Y476-M575 HydrophobicContact CE1-CE 4.19Å; Y476-M575 HydrophobicContact CE1-SD 4.08Å; Y476-M575 HydrophobicContact CG-CE 3.52Å; Y476-M575 HydrophobicContact CG-SD 4.45Å; Y476-A634 HydrophobicContact CD1-CB 4.39Å; Y476-A634 HydrophobicContact CE1-CB 3.9Å; Y476-A634 WeakPolarHBondContact CE1-O 3.35Å; Y476-A634 PolarHBondContact OH-O 3.2Å
477	G	94.8	Very high	93.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-41.2	175.1	0	0	0	0	0	112.6	M473 R474 N475 L480 L481 W508	M473-G477 PolarHBondContact O-N 3Å; M473-G477 VanDerWaalsContact O-N 3.14Å; R474-G477 CarbonylContact O-C 3.6Å; R474-G477 WeakPolarHBondContact O-CA 3.31Å; R474-G477 PolarHBondContact O-N 2.99Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 3.33Å; G477-L480 PolarHBondContact O-N 3.3Å; G477-L481 VanDerWaalsContact O-CB 3.28Å; G477-L481 WeakPolarHBondContact O-CB 3.46Å; G477-L481 PolarHBondContact O-N 2.9Å; G477-W508 VanDerWaalsContact CA-CE2 3.46Å
478	T	95.5	Very high	93.4	Very high	32 Å²	32	32.8 Å²	32.8	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-45	174.3	-56.7	0	0	0	0	111.3	R474 N475 L480 L481 E482 I664	R474-T478 PolarHBondContact O-N 3.49Å; R474-T478 PolarHBondContact O-OG1 3.13Å; R474-T478 VanDerWaalsContact O-OG1 3.13Å; N475-T478 PolarHBondContact O-N 3.05Å; T478-L480 PolarHBondContact O-N 3.04Å; T478-L481 PolarHBondContact O-N 3.32Å; T478-E482 HydrophobicContact CG2-CG 4.32Å; T478-E482 WeakPolarHBondContact CG2-OE1 3.39Å; T478-E482 WeakPolarHBondContact O-CG 3.27Å; T478-E482 PolarHBondContact O-N 2.79Å; T478-I664 HydrophobicContact CG2-CD1 4.32Å
479	L	96	Very high	93.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-50.3	175.5	174.1	63.9	0	0	0	111.1	V451 N475 Y476 L481 M483 I573 M575 I632 A634 I664	V451-L479 HydrophobicContact CG1-CD1 4.45Å; V451-L479 HydrophobicContact CG2-CD1 4.38Å; N475-L479 WeakPolarHBondContact O-CB 3.31Å; N475-L479 PolarHBondContact O-N 2.73Å; Y476-L479 PolarHBondContact O-N 3.48Å; L479-L481 PolarHBondContact O-N 3.28Å; L479-M483 HydrophobicContact CD1-CE 4.08Å; L479-M483 HydrophobicContact CD1-CG 3.86Å; L479-M483 HydrophobicContact CG-CG 4.48Å; L479-M483 WeakPolarHBondContact O-CB 3.4Å; L479-M483 WeakPolarHBondContact O-CG 3.42Å; L479-M483 PolarHBondContact O-N 3.03Å; L479-I573 HydrophobicContact CD2-CG2 4.21Å; L479-M575 HydrophobicContact CD2-SD 4.44Å; L479-I632 HydrophobicContact CD2-CG2 4.48Å; L479-A634 HydrophobicContact CD2-CB 3.51Å; L479-I664 HydrophobicContact CB-CD1 4.06Å; L479-I664 HydrophobicContact CB-CG1 4.17Å; L479-I664 HydrophobicContact CB-CG2 4.22Å; L479-I664 HydrophobicContact CD1-CG1 4.33Å; L479-I664 HydrophobicContact CD1-CG2 3.93Å
480	L	95.9	Very high	93.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-40.8	179.2	-178	55.8	0	0	0	111.9	Y476 G477 T478 S484 I491 C493 W508 I517 V551 L553 I573	Y476-L480 PolarHBondContact O-N 3.43Å; Y476-L480 VanDerWaalsContact O-N 3.1Å; G477-L480 PolarHBondContact O-N 3.3Å; T478-L480 PolarHBondContact O-N 3.04Å; L480-S484 WeakPolarHBondContact O-CB 3.32Å; L480-S484 PolarHBondContact O-N 3.38Å; L480-S484 PolarHBondContact O-OG 3.21Å; L480-I491 HydrophobicContact CD1-CG2 4.38Å; L480-C493 WeakPolarHBondContact CD1-SG 3.31Å; L480-W508 HydrophobicContact CD2-CH2 3.78Å; L480-W508 HydrophobicContact CD2-CZ3 3.59Å; L480-I517 HydrophobicContact CB-CD1 4.5Å; L480-I517 HydrophobicContact CD2-CD1 3.93Å; L480-I517 HydrophobicContact CG-CD1 4.1Å; L480-V551 HydrophobicContact CD1-CG1 3.97Å; L480-V551 HydrophobicContact CD2-CG1 4.22Å; L480-L553 HydrophobicContact CD2-CD2 3.96Å; L480-I573 HydrophobicContact CD1-CD1 4.32Å
481	L	95.9	Very high	93.7	Very high	29 Å²	29	25.1 Å²	25.1	15%	0.152	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-51.3	178.7	178.7	63.5	0	0	0	111.6	G477 T478 L479 S484 A485 R516 I517	G477-L481 VanDerWaalsContact O-CB 3.28Å; G477-L481 WeakPolarHBondContact O-CB 3.46Å; G477-L481 PolarHBondContact O-N 2.9Å; T478-L481 PolarHBondContact O-N 3.32Å; L479-L481 PolarHBondContact O-N 3.28Å; L481-S484 PolarHBondContact O-N 3.14Å; L481-S484 PolarHBondContact O-OG 2.92Å; L481-A485 PolarHBondContact O-N 3.22Å; L481-R516 HydrophobicContact CD1-CB 3.7Å; L481-R516 HydrophobicContact CD2-CB 4.26Å; L481-I517 HydrophobicContact CB-CG1 4.23Å; L481-I517 HydrophobicContact CD1-CG1 3.98Å
482	E	95.6	Very high	93.7	Very high	56 Å²	56	23.5 Å²	23.5	26%	0.262	13%	0.13	S	C	.	.	H	α-helix	trans	-66.9	-40.4	-179.3	-68.1	-176.6	-165.1	0	0	111.7	N455 T478 A485 V486 I664 V668	N455-E482 PolarHBondContact ND2-OE1 3.43Å; T478-E482 HydrophobicContact CG2-CG 4.32Å; T478-E482 WeakPolarHBondContact CG2-OE1 3.39Å; T478-E482 WeakPolarHBondContact O-CG 3.27Å; T478-E482 PolarHBondContact O-N 2.79Å; E482-A485 PolarHBondContact O-N 3.03Å; E482-V486 PolarHBondContact O-N 3.49Å; E482-I664 WeakPolarHBondContact OE2-CG2 3.45Å; E482-V668 HydrophobicContact CB-CG2 3.74Å
483	M	95.1	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-38.9	175.1	-73.4	-65.8	-172.8	0	0	112.2	L479 A485 V486 I487 I573 I632 A667 V668	L479-M483 HydrophobicContact CD1-CE 4.08Å; L479-M483 HydrophobicContact CD1-CG 3.86Å; L479-M483 HydrophobicContact CG-CG 4.48Å; L479-M483 WeakPolarHBondContact O-CB 3.4Å; L479-M483 WeakPolarHBondContact O-CG 3.42Å; L479-M483 PolarHBondContact O-N 3.03Å; M483-A485 PolarHBondContact O-N 3.44Å; M483-V486 PolarHBondContact O-N 3.49Å; M483-V486 VanDerWaalsContact O-N 3.11Å; M483-I487 HydrophobicContact CB-CD1 3.78Å; M483-I487 HydrophobicContact CG-CD1 4.32Å; M483-I487 WeakPolarHBondContact O-CB 3.16Å; M483-I487 WeakPolarHBondContact O-CG1 3.2Å; M483-I487 PolarHBondContact O-N 2.88Å; M483-I487 HydrophobicContact SD-CD1 3.86Å; M483-I573 HydrophobicContact CB-CD1 4.22Å; M483-I573 HydrophobicContact CG-CD1 4.39Å; M483-I632 HydrophobicContact CE-CD1 3.3Å; M483-I632 HydrophobicContact CE-CG1 4.24Å; M483-I632 HydrophobicContact CG-CD1 4.09Å; M483-I632 HydrophobicContact SD-CD1 3.69Å; M483-A667 HydrophobicContact CE-CB 3.85Å; M483-V668 HydrophobicContact CE-CG2 4.02Å; M483-V668 HydrophobicContact CG-CG2 4.38Å; M483-V668 HydrophobicContact SD-CG2 4.05Å
484	S	94.8	Very high	93.9	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-25.6	176.6	74.9	0	0	0	0	113.6	L480 L481 N520 K521	L480-S484 WeakPolarHBondContact O-CB 3.32Å; L480-S484 PolarHBondContact O-N 3.38Å; L480-S484 PolarHBondContact O-OG 3.21Å; L481-S484 PolarHBondContact O-N 3.14Å; L481-S484 PolarHBondContact O-OG 2.92Å; S484-N520 PolarHBondContact OG-ND2 3.42Å; S484-K521 VanDerWaalsContact O-CE 3.26Å; S484-K521 WeakPolarHBondContact O-CE 3.29Å
485	A	94.4	Very high	94	Very high	69 Å²	69	17.3 Å²	17.3	57%	0.57	11%	0.106	S	C	*	.	H	α-helix	trans	-80.6	-23	177	0	0	0	0	0	113.1	L481 E482 M483	L481-A485 PolarHBondContact O-N 3.22Å; E482-A485 PolarHBondContact O-N 3.03Å; M483-A485 PolarHBondContact O-N 3.44Å
486	V	93.9	Very high	93.9	Very high	39 Å²	39	17.6 Å²	17.6	24%	0.236	11%	0.108	C	C	.	.	H	α-helix	trans	-102.8	-39.2	-174	173.8	0	0	0	0	112.9	E482 M483 V668 K672 L675	E482-V486 PolarHBondContact O-N 3.49Å; M483-V486 PolarHBondContact O-N 3.49Å; M483-V486 VanDerWaalsContact O-N 3.11Å; V486-V668 HydrophobicContact CG2-CG1 3.68Å; V486-K672 HydrophobicContact CG1-CB 3.8Å; V486-K672 HydrophobicContact CG1-CG 4.26Å; V486-L675 HydrophobicContact CG1-CD1 4.09Å
487	I	93	Very high	93.7	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	-82.5	128	-172.4	-60.1	161.8	0	0	0	109.5	M483 I491 K521 L570 A571 L630 L675	M483-I487 HydrophobicContact CB-CD1 3.78Å; M483-I487 HydrophobicContact CG-CD1 4.32Å; M483-I487 WeakPolarHBondContact O-CB 3.16Å; M483-I487 WeakPolarHBondContact O-CG1 3.2Å; M483-I487 PolarHBondContact O-N 2.88Å; M483-I487 HydrophobicContact SD-CD1 3.86Å; I487-I491 HydrophobicContact CB-CD1 4.08Å; I487-I491 HydrophobicContact CB-CG1 4.17Å; I487-I491 HydrophobicContact CD1-CD1 3.94Å; I487-I491 HydrophobicContact CD1-CG1 4.22Å; I487-I491 HydrophobicContact CG2-CD1 4.45Å; I487-I491 HydrophobicContact CG2-CG1 3.98Å; I487-K521 WeakPolarHBondContact O-CE 3.37Å; I487-K521 PolarHBondContact O-NZ 3.28Å; I487-L570 HydrophobicContact CG2-CB 4.01Å; I487-A571 HydrophobicContact CD1-CB 3.6Å; I487-A571 HydrophobicContact CG1-CB 4.37Å; I487-A571 HydrophobicContact CG2-CB 3.84Å; I487-L630 HydrophobicContact CD1-CD2 3.74Å; I487-L630 HydrophobicContact CG1-CD2 4.04Å; I487-L675 HydrophobicContact CG1-CD1 4.17Å
488	P	88.8	Confident	93.5	Very high	54 Å²	54	21.2 Å²	21.2	35%	0.351	13%	0.127	S	C	.	.			trans	-67.8	164.2	174	-4.4	16	0	0	0	112.1	G490 L570	P488-G490 PolarHBondContact O-N 3.31Å; P488-L570 HydrophobicContact CB-CD1 3.57Å; P488-L570 HydrophobicContact CG-CD1 3.48Å; P488-L570 VanDerWaalsContact CG-CD1 3.48Å
489	D	87.6	Confident	93.2	Very high	65 Å²	65	25 Å²	25	35%	0.348	15%	0.146	S	C	.	.	S	Bend	trans	55.2	-121.2	167.2	-46.6	-30.3	0	0	0	114.2	K521 G549 A550 L570	D489-K521 PolarHBondContact O-NZ 3.4Å; D489-G549 CarbonylContact O-C 3.42Å; D489-G549 WeakPolarHBondContact O-CA 3.47Å; D489-A550 PolarHBondContact O-N 3.23Å; D489-L570 HydrophobicContact CB-CD1 4.4Å
490	G	91.4	Very high	92.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.9	-172.2	0	0	0	0	0	115.2	P488 Y540 C544 A550 H569 L570	P488-G490 PolarHBondContact O-N 3.31Å; G490-Y540 WeakPolarHBondContact CA-OH 3.29Å; G490-C544 VanDerWaalsContact CA-SG 3.52Å; G490-A550 CarbonylContact C-O 3.54Å; G490-A550 VanDerWaalsContact CA-O 3.29Å; G490-A550 WeakPolarHBondContact CA-O 3.22Å; G490-H569 WeakPolarHBondContact O-CA 3.48Å; G490-L570 PolarHBondContact O-N 3.29Å
491	I	93.8	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.4	165	-57.8	174.1	0	0	0	108.5	L480 I487 K521 A550 V551 L552 A571 I573	L480-I491 HydrophobicContact CD1-CG2 4.38Å; I487-I491 HydrophobicContact CB-CD1 4.08Å; I487-I491 HydrophobicContact CB-CG1 4.17Å; I487-I491 HydrophobicContact CD1-CD1 3.94Å; I487-I491 HydrophobicContact CD1-CG1 4.22Å; I487-I491 HydrophobicContact CG2-CD1 4.45Å; I487-I491 HydrophobicContact CG2-CG1 3.98Å; I491-K521 HydrophobicContact CD1-CD 4.18Å; I491-K521 HydrophobicContact CG1-CD 4.44Å; I491-A550 PolarHBondContact N-O 2.88Å; I491-V551 HydrophobicContact CB-CG2 4.28Å; I491-V551 HydrophobicContact CD1-CG2 4.45Å; I491-V551 CarbonylContact O-C 3.45Å; I491-V551 WeakPolarHBondContact O-CA 3.39Å; I491-L552 PolarHBondContact O-N 3.01Å; I491-A571 WeakPolarHBondContact CA-O 3.46Å; I491-I573 HydrophobicContact CG2-CD1 3.81Å; I491-I573 HydrophobicContact CG2-CG1 4.01Å
492	V	93	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.6	170.6	-176.7	0	0	0	0	108.9	F494 Y540 L552 F566 H569 A571 V572 I573	V492-F494 HydrophobicContact CB-CE2 4.37Å; V492-F494 HydrophobicContact CG1-CD2 4.1Å; V492-F494 HydrophobicContact CG1-CE1 4.16Å; V492-F494 HydrophobicContact CG1-CE2 3.52Å; V492-F494 HydrophobicContact CG1-CZ 3.56Å; V492-Y540 WeakPolarHBondContact CG2-OH 3.25Å; V492-L552 HydrophobicContact CG1-CD2 4.45Å; V492-L552 HydrophobicContact CG2-CB 4.46Å; V492-F566 HydrophobicContact CG1-CE1 4.48Å; V492-F566 HydrophobicContact CG1-CE2 4.42Å; V492-F566 HydrophobicContact CG1-CZ 3.99Å; V492-F566 HydrophobicContact CG2-CD1 4.16Å; V492-F566 HydrophobicContact CG2-CE1 4.05Å; V492-F566 HydrophobicContact CG2-CG 4.47Å; V492-F566 HydrophobicContact CG2-CZ 4.25Å; V492-H569 HydrophobicContact CG2-CB 4.13Å; V492-A571 PolarHBondContact N-O 3Å; V492-V572 CarbonylContact O-C 3.45Å; V492-V572 WeakPolarHBondContact O-CA 3.35Å; V492-I573 PolarHBondContact O-N 3.38Å
493	C	94.7	Very high	92.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.3	176.7	-60.3	0	0	0	0	109.6	L480 F495 L552 L553 S554 I573 M575	L480-C493 WeakPolarHBondContact CD1-SG 3.31Å; C493-F495 HydrophobicContact CB-CE2 4.39Å; C493-L552 PolarHBondContact N-O 3.35Å; C493-L553 HydrophobicContact CB-CD2 3.76Å; C493-S554 PolarHBondContact O-N 3.2Å; C493-S554 PolarHBondContact O-OG 3.23Å; C493-I573 CarbonylContact C-O 3.6Å; C493-I573 WeakPolarHBondContact CA-O 3.32Å; C493-M575 HydrophobicContact CB-CG 4.49Å
494	F	95.2	Very high	92.5	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118	176.2	-68.2	-76.8	0	0	0	110.6	V492 S554 A556 F566 V572 I573 M574 M575 C617	V492-F494 HydrophobicContact CB-CE2 4.37Å; V492-F494 HydrophobicContact CG1-CD2 4.1Å; V492-F494 HydrophobicContact CG1-CE1 4.16Å; V492-F494 HydrophobicContact CG1-CE2 3.52Å; V492-F494 HydrophobicContact CG1-CZ 3.56Å; F494-S554 CarbonylContact C-O 3.55Å; F494-S554 WeakPolarHBondContact CA-O 3.38Å; F494-S554 WeakPolarHBondContact CD1-OG 3.5Å; F494-S554 WeakPolarHBondContact CE1-OG 3.25Å; F494-A556 HydrophobicContact CB-CB 4.23Å; F494-F566 AromaticContact CZ-CE2 3.97Å; F494-F566 HydrophobicContact CZ-CE2 3.97Å; F494-F566 HydrophobicContact CZ-CZ 4.27Å; F494-V572 HydrophobicContact CD2-CG1 3.6Å; F494-V572 HydrophobicContact CE2-CG1 3.57Å; F494-I573 PolarHBondContact N-O 2.74Å; F494-M574 HydrophobicContact CB-CE 3.82Å; F494-M574 HydrophobicContact CB-SD 3.59Å; F494-M574 VanDerWaalsContact CB-SD 3.59Å; F494-M574 HydrophobicContact CD2-SD 3.68Å; F494-M574 HydrophobicContact CG-SD 3.94Å; F494-M575 WeakPolarHBondContact O-CB 3.34Å; F494-M575 PolarHBondContact O-N 3.19Å; F494-C617 HydrophobicContact CD1-CB 4.27Å; F494-C617 HydrophobicContact CD2-CB 3.65Å; F494-C617 HydrophobicContact CE1-CB 4.31Å; F494-C617 HydrophobicContact CE2-CB 3.67Å; F494-C617 HydrophobicContact CG-CB 3.95Å; F494-C617 HydrophobicContact CZ-CB 4.01Å
495	F	94.9	Very high	92.4	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	158.3	172.3	-72.7	-97.2	0	0	0	111.6	C493 Y500 M501 T504 W508 L553 S554 A556 M575	C493-F495 HydrophobicContact CB-CE2 4.39Å; F495-Y500 AromaticContact CD1-CD1 3.92Å; F495-Y500 HydrophobicContact CD1-CD1 3.92Å; F495-Y500 HydrophobicContact CD1-CE1 4.22Å; F495-M501 HydrophobicContact CB-CB 3.93Å; F495-M501 HydrophobicContact CB-CG 4.47Å; F495-M501 HydrophobicContact CD1-CB 4.09Å; F495-M501 HydrophobicContact CD1-CG 4.43Å; F495-M501 HydrophobicContact CD2-CB 4.09Å; F495-M501 HydrophobicContact CD2-CG 3.74Å; F495-M501 HydrophobicContact CD2-SD 4.06Å; F495-M501 HydrophobicContact CE2-CG 4.03Å; F495-M501 HydrophobicContact CG-CB 3.77Å; F495-M501 HydrophobicContact CG-CG 3.97Å; F495-M501 HydrophobicContact CZ-CG 4.48Å; F495-T504 HydrophobicContact CE1-CG2 4.03Å; F495-W508 AromaticContact CZ-CH2 3.82Å; F495-W508 HydrophobicContact CZ-CH2 3.82Å; F495-W508 HydrophobicContact CZ-CZ3 4.19Å; F495-L553 HydrophobicContact CE2-CB 4.05Å; F495-L553 HydrophobicContact CE2-CD1 4.29Å; F495-L553 HydrophobicContact CE2-CD2 4.05Å; F495-L553 HydrophobicContact CE2-CG 4.34Å; F495-S554 PolarHBondContact N-O 3.04Å; F495-A556 PolarHBondContact O-N 3.06Å; F495-M575 HydrophobicContact CD1-CB 4.27Å; F495-M575 HydrophobicContact CE1-CB 4.47Å; F495-M575 HydrophobicContact CZ-CE 4.5Å
496	T	92.5	Very high	92.5	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.074	17%	0.168	C	C	.	.	S	Bend	trans	-67.1	-33.9	177.6	58.4	0	0	0	0	113.5	T462 M575 V577	T462-T496 HydrophobicContact CG2-CG2 4.38Å; T496-M575 WeakPolarHBondContact CG2-O 3.35Å; T496-V577 WeakPolarHBondContact CG2-O 3.37Å
497	S	90.4	Very high	92.5	Very high	36 Å²	36	30 Å²	30	25%	0.252	17%	0.165	S	C	.	.			trans	-157.5	159	-179.3	66.9	0	0	0	0	112	L499 Y500 M501	S497-L499 VanDerWaalsContact C-N 3.34Å; S497-L499 PolarHBondContact O-N 3.12Å; S497-Y500 PolarHBondContact O-N 3.22Å; S497-Y500 VanDerWaalsContact OG-CB 3.3Å; S497-Y500 WeakPolarHBondContact OG-CB 3.43Å; S497-Y500 PolarHBondContact OG-N 2.82Å; S497-M501 PolarHBondContact O-N 3.04Å
498	Y	90.7	Very high	92.6	Very high	41 Å²	41	29.8 Å²	29.8	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-43.5	174	-75.3	-81.5	0	0	0	112.5	Y500 M501 E502 E526 K528 V555	Y498-Y500 VanDerWaalsContact C-N 3.34Å; Y498-Y500 PolarHBondContact O-N 3.49Å; Y498-M501 HydrophobicContact CD1-CE 3.93Å; Y498-M501 HydrophobicContact CE1-CE 4.39Å; Y498-M501 PolarHBondContact O-N 3.18Å; Y498-E502 WeakPolarHBondContact O-CB 3.34Å; Y498-E502 VanDerWaalsContact O-CG 3.29Å; Y498-E502 WeakPolarHBondContact O-CG 3.32Å; Y498-E502 PolarHBondContact O-N 3.04Å; Y498-E526 HydrophobicContact CE1-CG 4.24Å; Y498-E526 PolarHBondContact OH-OE1 3Å; Y498-K528 HydrophobicContact CD1-CG 4.04Å; Y498-K528 HydrophobicContact CD2-CG 4.3Å; Y498-K528 HydrophobicContact CE1-CG 4Å; Y498-K528 HydrophobicContact CE2-CG 4.27Å; Y498-K528 HydrophobicContact CG-CG 4.19Å; Y498-V555 HydrophobicContact CD1-CG2 3.73Å; Y498-V555 HydrophobicContact CD2-CB 4.4Å; Y498-V555 HydrophobicContact CD2-CG1 4.29Å; Y498-V555 HydrophobicContact CD2-CG2 3.97Å; Y498-V555 HydrophobicContact CE1-CG2 3.81Å; Y498-V555 HydrophobicContact CE2-CB 4.13Å; Y498-V555 HydrophobicContact CE2-CG1 4.26Å; Y498-V555 HydrophobicContact CE2-CG2 4.02Å; Y498-V555 HydrophobicContact CG-CG2 3.82Å
499	L	89.1	Confident	92.8	Very high	112 Å²	112	34.9 Å²	34.9	59%	0.586	18%	0.178	S	C	*	.	H	α-helix	trans	-60.5	-45.3	179.2	177.9	62.9	0	0	0	111.3	S497 M501 E502 N503	S497-L499 VanDerWaalsContact C-N 3.34Å; S497-L499 PolarHBondContact O-N 3.12Å; L499-M501 PolarHBondContact O-N 3.17Å; L499-E502 PolarHBondContact O-N 3.31Å; L499-N503 WeakPolarHBondContact O-CB 3.39Å; L499-N503 VanDerWaalsContact O-CG 3.3Å; L499-N503 PolarHBondContact O-N 3.31Å
500	Y	91.5	Very high	93.2	Very high	9 Å²	9	40.4 Å²	40.4	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-39.2	179	-172.5	-116.8	0	0	0	112.1	T462 R467 Y476 F495 S497 Y498 T504	T462-Y500 HydrophobicContact CG2-CD1 4.44Å; T462-Y500 HydrophobicContact CG2-CE1 3.62Å; R467-Y500 HydrophobicContact CB-CD2 4.34Å; R467-Y500 HydrophobicContact CB-CE2 4.02Å; R467-Y500 HydrophobicContact CG-CD2 4.22Å; R467-Y500 HydrophobicContact CG-CE2 3.99Å; Y476-Y500 VanDerWaalsContact CE2-OH 3.25Å; Y476-Y500 WeakPolarHBondContact CE2-OH 3.37Å; F495-Y500 AromaticContact CD1-CD1 3.92Å; F495-Y500 HydrophobicContact CD1-CD1 3.92Å; F495-Y500 HydrophobicContact CD1-CE1 4.22Å; S497-Y500 PolarHBondContact O-N 3.22Å; S497-Y500 VanDerWaalsContact OG-CB 3.3Å; S497-Y500 WeakPolarHBondContact OG-CB 3.43Å; S497-Y500 PolarHBondContact OG-N 2.82Å; Y498-Y500 VanDerWaalsContact C-N 3.34Å; Y498-Y500 PolarHBondContact O-N 3.49Å; Y500-T504 VanDerWaalsContact O-CB 3.25Å; Y500-T504 WeakPolarHBondContact O-CB 3.32Å; Y500-T504 PolarHBondContact O-N 2.88Å; Y500-T504 PolarHBondContact O-OG1 3.36Å
501	M	93.3	Very high	93.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-50.1	174.6	-177	179.5	70.9	0	0	111.7	F495 S497 Y498 L499 N503 T504 V505 I525 E526 L553 V555	F495-M501 HydrophobicContact CB-CB 3.93Å; F495-M501 HydrophobicContact CB-CG 4.47Å; F495-M501 HydrophobicContact CD1-CB 4.09Å; F495-M501 HydrophobicContact CD1-CG 4.43Å; F495-M501 HydrophobicContact CD2-CB 4.09Å; F495-M501 HydrophobicContact CD2-CG 3.74Å; F495-M501 HydrophobicContact CD2-SD 4.06Å; F495-M501 HydrophobicContact CE2-CG 4.03Å; F495-M501 HydrophobicContact CG-CB 3.77Å; F495-M501 HydrophobicContact CG-CG 3.97Å; F495-M501 HydrophobicContact CZ-CG 4.48Å; S497-M501 PolarHBondContact O-N 3.04Å; Y498-M501 HydrophobicContact CD1-CE 3.93Å; Y498-M501 HydrophobicContact CE1-CE 4.39Å; Y498-M501 PolarHBondContact O-N 3.18Å; L499-M501 PolarHBondContact O-N 3.17Å; M501-N503 PolarHBondContact O-N 3.01Å; M501-T504 PolarHBondContact O-N 3.11Å; M501-V505 HydrophobicContact CG-CG2 4.27Å; M501-V505 WeakPolarHBondContact O-CB 3.24Å; M501-V505 VanDerWaalsContact O-CG2 3.26Å; M501-V505 WeakPolarHBondContact O-CG2 3.45Å; M501-V505 PolarHBondContact O-N 3.33Å; M501-I525 HydrophobicContact CE-CG2 3.82Å; M501-I525 HydrophobicContact SD-CG2 4.18Å; M501-E526 VanDerWaalsContact CE-O 3.23Å; M501-E526 WeakPolarHBondContact CE-O 3.4Å; M501-L553 HydrophobicContact SD-CB 4.15Å; M501-V555 HydrophobicContact CE-CG2 4.16Å; M501-V555 HydrophobicContact SD-CG2 4.19Å
502	E	92.9	Very high	93.1	Very high	96 Å²	96	44.7 Å²	44.7	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-57	-47.7	178.9	-72.8	166.9	-158.9	0	0	111	Y498 L499 A506 K528	Y498-E502 WeakPolarHBondContact O-CB 3.34Å; Y498-E502 VanDerWaalsContact O-CG 3.29Å; Y498-E502 WeakPolarHBondContact O-CG 3.32Å; Y498-E502 PolarHBondContact O-N 3.04Å; L499-E502 PolarHBondContact O-N 3.31Å; E502-A506 VanDerWaalsContact O-CB 3.27Å; E502-A506 WeakPolarHBondContact O-CB 2.92Å; E502-A506 PolarHBondContact O-N 3.36Å; E502-K528 IonicContact OE1-NZ 3.31Å; E502-K528 PolarHBondContact OE1-NZ 3.28Å
503	N	92.6	Very high	93.1	Very high	77 Å²	77	44.8 Å²	44.8	41%	0.412	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-45.3	177.7	-71.8	-6.8	0	0	0	112.4	L499 M501 A506 F507	L499-N503 WeakPolarHBondContact O-CB 3.39Å; L499-N503 VanDerWaalsContact O-CG 3.3Å; L499-N503 PolarHBondContact O-N 3.31Å; M501-N503 PolarHBondContact O-N 3.01Å; N503-A506 PolarHBondContact O-N 2.95Å; N503-F507 WeakPolarHBondContact O-CB 3.3Å; N503-F507 PolarHBondContact O-N 2.88Å
504	T	94	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-43.8	-178.5	-57.8	0	0	0	0	111.2	M473 F495 Y500 M501 F507 W508	M473-T504 HydrophobicContact CG-CG2 4.49Å; F495-T504 HydrophobicContact CE1-CG2 4.03Å; Y500-T504 VanDerWaalsContact O-CB 3.25Å; Y500-T504 WeakPolarHBondContact O-CB 3.32Å; Y500-T504 PolarHBondContact O-N 2.88Å; Y500-T504 PolarHBondContact O-OG1 3.36Å; M501-T504 PolarHBondContact O-N 3.11Å; T504-F507 WeakPolarHBondContact O-CB 3.28Å; T504-F507 PolarHBondContact O-N 3.46Å; T504-W508 HydrophobicContact CG2-CD2 4.04Å; T504-W508 VanDerWaalsContact CG2-CE2 3.4Å; T504-W508 HydrophobicContact CG2-CG 4.49Å; T504-W508 HydrophobicContact CG2-CH2 4.24Å; T504-W508 HydrophobicContact CG2-CZ2 3.53Å; T504-W508 VanDerWaalsContact O-CD1 3.28Å; T504-W508 PolarHBondContact O-N 2.95Å
505	V	93.9	Very high	93	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-41.7	177.8	173.3	0	0	0	0	111	M501 F507 W508 Y509 I525 L553	M501-V505 HydrophobicContact CG-CG2 4.27Å; M501-V505 WeakPolarHBondContact O-CB 3.24Å; M501-V505 VanDerWaalsContact O-CG2 3.26Å; M501-V505 WeakPolarHBondContact O-CG2 3.45Å; M501-V505 PolarHBondContact O-N 3.33Å; V505-F507 VanDerWaalsContact C-N 3.29Å; V505-F507 PolarHBondContact O-N 3Å; V505-W508 HydrophobicContact CG2-CE3 4.45Å; V505-W508 PolarHBondContact O-N 3.21Å; V505-Y509 PolarHBondContact O-N 2.82Å; V505-I525 HydrophobicContact CG1-CD1 3.99Å; V505-L553 HydrophobicContact CG2-CD1 3.57Å
506	A	94.6	Very high	93	Very high	51 Å²	51	55.1 Å²	55.1	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.1	0	0	0	0	0	111.9	E502 N503 K510	E502-A506 VanDerWaalsContact O-CB 3.27Å; E502-A506 WeakPolarHBondContact O-CB 2.92Å; E502-A506 PolarHBondContact O-N 3.36Å; N503-A506 PolarHBondContact O-N 2.95Å; A506-K510 WeakPolarHBondContact O-CG 3.1Å; A506-K510 PolarHBondContact O-N 3.39Å
507	F	94.4	Very high	93.1	Very high	42 Å²	42	54.6 Å²	54.6	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-42.4	173.9	-179.3	-99.5	0	0	0	112.4	A470 M473 R474 N503 T504 V505 Y509 K510 Q511 M513	A470-F507 HydrophobicContact CB-CE2 3.95Å; A470-F507 HydrophobicContact CB-CZ 3.66Å; A470-F507 WeakPolarHBondContact O-CZ 3.13Å; M473-F507 HydrophobicContact CB-CD1 3.66Å; M473-F507 HydrophobicContact CB-CE1 3.71Å; M473-F507 HydrophobicContact CB-CG 4.44Å; M473-F507 HydrophobicContact CB-CZ 4.5Å; M473-F507 HydrophobicContact CE-CD2 4.24Å; M473-F507 HydrophobicContact CE-CE2 4.43Å; M473-F507 HydrophobicContact CE-CG 4.27Å; M473-F507 HydrophobicContact SD-CB 4.13Å; M473-F507 HydrophobicContact SD-CD1 4.29Å; M473-F507 HydrophobicContact SD-CG 4.15Å; R474-F507 HydrophobicContact CB-CE1 4.5Å; N503-F507 WeakPolarHBondContact O-CB 3.3Å; N503-F507 PolarHBondContact O-N 2.88Å; T504-F507 WeakPolarHBondContact O-CB 3.28Å; T504-F507 PolarHBondContact O-N 3.46Å; V505-F507 VanDerWaalsContact C-N 3.29Å; V505-F507 PolarHBondContact O-N 3Å; F507-Y509 VanDerWaalsContact C-N 3.29Å; F507-Y509 PolarHBondContact O-N 3.3Å; F507-K510 PolarHBondContact O-N 2.72Å; F507-Q511 HydrophobicContact CE1-CG 4.25Å; F507-Q511 HydrophobicContact CZ-CG 4.32Å; F507-Q511 PolarHBondContact O-N 3.32Å; F507-M513 HydrophobicContact CD1-CE 4.49Å; F507-M513 HydrophobicContact CE1-CE 4.48Å
508	W	95.2	Very high	93.3	Very high	1 Å²	1	57 Å²	57	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-35.9	176	-69.1	-3.9	0	0	0	113	M473 G477 L480 F495 T504 V505 Q511 G512 M513 V514 L553 M575	M473-W508 PolarHBondContact O-NE1 2.99Å; G477-W508 VanDerWaalsContact CA-CE2 3.46Å; L480-W508 HydrophobicContact CD2-CH2 3.78Å; L480-W508 HydrophobicContact CD2-CZ3 3.59Å; F495-W508 AromaticContact CZ-CH2 3.82Å; F495-W508 HydrophobicContact CZ-CH2 3.82Å; F495-W508 HydrophobicContact CZ-CZ3 4.19Å; T504-W508 HydrophobicContact CG2-CD2 4.04Å; T504-W508 VanDerWaalsContact CG2-CE2 3.4Å; T504-W508 HydrophobicContact CG2-CG 4.49Å; T504-W508 HydrophobicContact CG2-CH2 4.24Å; T504-W508 HydrophobicContact CG2-CZ2 3.53Å; T504-W508 VanDerWaalsContact O-CD1 3.28Å; T504-W508 PolarHBondContact O-N 2.95Å; V505-W508 HydrophobicContact CG2-CE3 4.45Å; V505-W508 PolarHBondContact O-N 3.21Å; W508-Q511 PolarHBondContact O-N 3.31Å; W508-G512 PolarHBondContact O-N 3.31Å; W508-M513 HydrophobicContact CB-CB 4.12Å; W508-M513 HydrophobicContact CB-CE 4.26Å; W508-M513 HydrophobicContact CG-CB 4.47Å; W508-M513 HydrophobicContact CG-CE 3.84Å; W508-M513 PolarHBondContact O-N 3.18Å; W508-V514 HydrophobicContact CB-CG2 3.79Å; W508-L553 HydrophobicContact CZ3-CD1 4.21Å; W508-M575 HydrophobicContact CH2-CE 4.09Å; W508-M575 HydrophobicContact CZ2-CE 4.19Å
509	Y	94.3	Very high	93.4	Very high	161 Å²	161	62.5 Å²	62.5	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-48.1	174.1	-173.1	-97.7	0	0	0	110.7	V505 F507 Q511 G512	V505-Y509 PolarHBondContact O-N 2.82Å; F507-Y509 VanDerWaalsContact C-N 3.29Å; F507-Y509 PolarHBondContact O-N 3.3Å; Y509-Q511 VanDerWaalsContact C-N 3.29Å; Y509-Q511 PolarHBondContact O-N 2.69Å; Y509-G512 PolarHBondContact O-N 2.87Å
510	K	94.1	Very high	93.7	Very high	181 Å²	181	60 Å²	60	79%	0.787	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-33.4	177	-71.2	177.9	-178.2	179.6	0	113.6	A506 F507 G512	A506-K510 WeakPolarHBondContact O-CG 3.1Å; A506-K510 PolarHBondContact O-N 3.39Å; F507-K510 PolarHBondContact O-N 2.72Å; K510-G512 VanDerWaalsContact C-N 3.33Å
511	Q	91.8	Very high	93.8	Very high	65 Å²	65	60.1 Å²	60.1	30%	0.304	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.1	177.1	-69.6	-161.4	-2.8	0	0	114.3	F507 W508 Y509 M513	F507-Q511 HydrophobicContact CE1-CG 4.25Å; F507-Q511 HydrophobicContact CZ-CG 4.32Å; F507-Q511 PolarHBondContact O-N 3.32Å; W508-Q511 PolarHBondContact O-N 3.31Å; Y509-Q511 VanDerWaalsContact C-N 3.29Å; Y509-Q511 PolarHBondContact O-N 2.69Å; Q511-M513 HydrophobicContact CB-CE 4.07Å; Q511-M513 HydrophobicContact CB-CG 4.28Å; Q511-M513 PolarHBondContact O-N 2.76Å
512	G	92.7	Very high	93.9	Very high	25 Å²	25	62.9 Å²	62.9	26%	0.258	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	26.1	-175.6	0	0	0	0	0	113.3	W508 Y509 K510 R516	W508-G512 PolarHBondContact O-N 3.31Å; Y509-G512 PolarHBondContact O-N 2.87Å; K510-G512 VanDerWaalsContact C-N 3.33Å; G512-R516 PolarHBondContact O-NE 2.82Å
513	M	92.2	Very high	94	Very high	2 Å²	2	60 Å²	60	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-78.7	-37.4	175	-76.6	-165.9	-75.7	0	0	111.6	F507 W508 Q511 D515 R516 I517	F507-M513 HydrophobicContact CD1-CE 4.49Å; F507-M513 HydrophobicContact CE1-CE 4.48Å; W508-M513 HydrophobicContact CB-CB 4.12Å; W508-M513 HydrophobicContact CB-CE 4.26Å; W508-M513 HydrophobicContact CG-CB 4.47Å; W508-M513 HydrophobicContact CG-CE 3.84Å; W508-M513 PolarHBondContact O-N 3.18Å; Q511-M513 HydrophobicContact CB-CE 4.07Å; Q511-M513 HydrophobicContact CB-CG 4.28Å; Q511-M513 PolarHBondContact O-N 2.76Å; M513-D515 VanDerWaalsContact C-N 3.35Å; M513-D515 PolarHBondContact O-N 3.14Å; M513-R516 VanDerWaalsContact CG-NH2 3.27Å; M513-R516 WeakPolarHBondContact O-CB 3.25Å; M513-R516 PolarHBondContact O-N 2.93Å; M513-R516 VanDerWaalsContact O-N 3.12Å; M513-I517 WeakPolarHBondContact O-CG1 3.22Å; M513-I517 PolarHBondContact O-N 3.45Å
514	V	93.4	Very high	94.1	Very high	12 Å²	12	58 Å²	58	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-46.3	-179.7	176.9	0	0	0	0	111	W508 R516 I517 M518 L523	W508-V514 HydrophobicContact CB-CG2 3.79Å; V514-R516 VanDerWaalsContact C-N 3.26Å; V514-R516 PolarHBondContact O-N 3.23Å; V514-I517 PolarHBondContact O-N 3.38Å; V514-I517 VanDerWaalsContact O-N 3.1Å; V514-M518 HydrophobicContact CG1-CG 4.21Å; V514-M518 HydrophobicContact CG1-SD 3.87Å; V514-M518 WeakPolarHBondContact O-CB 3.44Å; V514-M518 WeakPolarHBondContact O-CG 3.38Å; V514-M518 PolarHBondContact O-N 3.17Å; V514-L523 HydrophobicContact CG1-CD2 4.07Å
515	D	94.2	Very high	94.1	Very high	92 Å²	92	61.1 Å²	61.1	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-36.8	178.2	-60.8	-30.9	0	0	0	112.3	M513 M518 K519	M513-D515 VanDerWaalsContact C-N 3.35Å; M513-D515 PolarHBondContact O-N 3.14Å; D515-M518 PolarHBondContact O-N 3.03Å; D515-K519 WeakPolarHBondContact O-CG 3.22Å; D515-K519 PolarHBondContact O-N 3.31Å; D515-K519 VanDerWaalsContact O-N 3.11Å
516	R	95.1	Very high	94	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-39.6	176.2	-69	-173.2	-78.2	164.3	-8.3	111.8	L481 G512 M513 V514 K519	L481-R516 HydrophobicContact CD1-CB 3.7Å; L481-R516 HydrophobicContact CD2-CB 4.26Å; G512-R516 PolarHBondContact O-NE 2.82Å; M513-R516 VanDerWaalsContact CG-NH2 3.27Å; M513-R516 WeakPolarHBondContact O-CB 3.25Å; M513-R516 PolarHBondContact O-N 2.93Å; M513-R516 VanDerWaalsContact O-N 3.12Å; V514-R516 VanDerWaalsContact C-N 3.26Å; V514-R516 PolarHBondContact O-N 3.23Å; R516-K519 PolarHBondContact O-N 3.35Å
517	I	94.5	Very high	93.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-43.1	174.5	-64.3	164.7	0	0	0	110.1	L480 L481 M513 V514 K519 N520 K521 V551	L480-I517 HydrophobicContact CB-CD1 4.5Å; L480-I517 HydrophobicContact CD2-CD1 3.93Å; L480-I517 HydrophobicContact CG-CD1 4.1Å; L481-I517 HydrophobicContact CB-CG1 4.23Å; L481-I517 HydrophobicContact CD1-CG1 3.98Å; M513-I517 WeakPolarHBondContact O-CG1 3.22Å; M513-I517 PolarHBondContact O-N 3.45Å; V514-I517 PolarHBondContact O-N 3.38Å; V514-I517 VanDerWaalsContact O-N 3.1Å; I517-K519 VanDerWaalsContact C-N 3.25Å; I517-K519 PolarHBondContact O-N 3.31Å; I517-N520 WeakPolarHBondContact O-CA 3.44Å; I517-N520 WeakPolarHBondContact O-CB 3.36Å; I517-N520 PolarHBondContact O-N 3.4Å; I517-K521 PolarHBondContact O-N 3.42Å; I517-V551 HydrophobicContact CG2-CG2 4.46Å
518	M	94.3	Very high	93.5	Very high	87 Å²	87	63 Å²	63	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-26.7	179.8	-74.4	-176.4	69.3	0	0	113.9	V514 D515 N520 K521 L523 R548	V514-M518 HydrophobicContact CG1-CG 4.21Å; V514-M518 HydrophobicContact CG1-SD 3.87Å; V514-M518 WeakPolarHBondContact O-CB 3.44Å; V514-M518 WeakPolarHBondContact O-CG 3.38Å; V514-M518 PolarHBondContact O-N 3.17Å; D515-M518 PolarHBondContact O-N 3.03Å; M518-N520 VanDerWaalsContact C-N 3.29Å; M518-K521 VanDerWaalsContact CA-O 3.27Å; M518-K521 WeakPolarHBondContact CA-O 3.45Å; M518-L523 HydrophobicContact CG-CB 4.39Å; M518-R548 PolarHBondContact O-NH2 3.43Å
519	K	94.6	Very high	93.2	Very high	156 Å²	156	66.2 Å²	66.2	68%	0.678	31%	0.314	S	S	*	.	H	α-helix	trans	-61.5	-39.8	170	-74.6	174	-175.7	-176.4	0	111.5	D515 R516 I517 R548	D515-K519 WeakPolarHBondContact O-CG 3.22Å; D515-K519 PolarHBondContact O-N 3.31Å; D515-K519 VanDerWaalsContact O-N 3.11Å; R516-K519 PolarHBondContact O-N 3.35Å; I517-K519 VanDerWaalsContact C-N 3.25Å; I517-K519 PolarHBondContact O-N 3.31Å; K519-R548 PolarHBondContact O-NH2 2.89Å
520	N	93.5	Very high	92.7	Very high	60 Å²	60	61.7 Å²	61.7	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-81.3	-50.5	-179.2	-62.7	-16.1	0	0	0	112.2	S484 I517 M518	S484-N520 PolarHBondContact OG-ND2 3.42Å; I517-N520 WeakPolarHBondContact O-CA 3.44Å; I517-N520 WeakPolarHBondContact O-CB 3.36Å; I517-N520 PolarHBondContact O-N 3.4Å; M518-N520 VanDerWaalsContact C-N 3.29Å
521	K	94.9	Very high	92.4	Very high	11 Å²	11	57.9 Å²	57.9	5%	0.048	30%	0.298	C	S	.	.	S	Bend	trans	-147	151.2	-173.2	-67.8	-175.7	-173.6	-67.8	0	111.9	S484 I487 D489 I491 I517 M518 V551	S484-K521 VanDerWaalsContact O-CE 3.26Å; S484-K521 WeakPolarHBondContact O-CE 3.29Å; I487-K521 WeakPolarHBondContact O-CE 3.37Å; I487-K521 PolarHBondContact O-NZ 3.28Å; D489-K521 PolarHBondContact O-NZ 3.4Å; I491-K521 HydrophobicContact CD1-CD 4.18Å; I491-K521 HydrophobicContact CG1-CD 4.44Å; I517-K521 PolarHBondContact O-N 3.42Å; M518-K521 VanDerWaalsContact CA-O 3.27Å; M518-K521 WeakPolarHBondContact CA-O 3.45Å; K521-V551 HydrophobicContact CB-CG2 3.87Å; K521-V551 HydrophobicContact CD-CG2 3.9Å
522	L	95.1	Very high	92.4	Very high	63 Å²	63	60 Å²	60	33%	0.33	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	139.8	174.6	-62.7	179.9	0	0	0	111.1	F524 A543 R548 G549 A550 V551	L522-F524 HydrophobicContact CB-CE2 3.88Å; L522-F524 HydrophobicContact CB-CZ 4.25Å; L522-F524 HydrophobicContact CD1-CZ 4.46Å; L522-A543 HydrophobicContact CD1-CB 3.99Å; L522-R548 HydrophobicContact CD1-CG 4Å; L522-R548 HydrophobicContact CD2-CG 4.48Å; L522-R548 HydrophobicContact CG-CG 3.83Å; L522-G549 PolarHBondContact N-O 3.48Å; L522-G549 VanDerWaalsContact N-O 3.07Å; L522-A550 CarbonylContact O-C 3.53Å; L522-A550 VanDerWaalsContact O-CA 3.27Å; L522-A550 WeakPolarHBondContact O-CA 3.24Å; L522-V551 PolarHBondContact O-N 3.36Å
523	L	95.3	Very high	92.2	Very high	34 Å²	34	59.1 Å²	59.1	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.3	-179	-169.2	70.2	0	0	0	110.6	V514 M518 I525 V551 L553	V514-L523 HydrophobicContact CG1-CD2 4.07Å; M518-L523 HydrophobicContact CG-CB 4.39Å; L523-I525 HydrophobicContact CD2-CD1 4.5Å; L523-I525 HydrophobicContact CG-CG1 4.49Å; L523-V551 HydrophobicContact CD1-CB 3.8Å; L523-V551 HydrophobicContact CD1-CG1 3.71Å; L523-L553 HydrophobicContact CD1-CD1 3.89Å; L523-L553 HydrophobicContact CD1-CD2 3.98Å; L523-L553 HydrophobicContact CD1-CG 3.7Å; L523-L553 HydrophobicContact CD2-CD1 4.27Å; L523-L553 HydrophobicContact CG-CD1 4.38Å; L523-L553 HydrophobicContact CG-CG 4.45Å
524	F	94.8	Very high	92	Very high	37 Å²	37	61.8 Å²	61.8	16%	0.162	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.6	173.2	-61.1	-79	0	0	0	109.3	L522 N539 Y540 A543 A550 V551 L552 L553	L522-F524 HydrophobicContact CB-CE2 3.88Å; L522-F524 HydrophobicContact CB-CZ 4.25Å; L522-F524 HydrophobicContact CD1-CZ 4.46Å; F524-N539 HydrophobicContact CD1-CB 4.22Å; F524-N539 HydrophobicContact CE1-CB 3.48Å; F524-N539 VanDerWaalsContact CE1-CB 3.48Å; F524-N539 HydrophobicContact CZ-CB 3.83Å; F524-Y540 HydrophobicContact CD2-CD2 4.08Å; F524-A543 HydrophobicContact CE2-CB 4Å; F524-A543 HydrophobicContact CZ-CB 4.28Å; F524-A550 HydrophobicContact CD2-CB 4.03Å; F524-A550 HydrophobicContact CE2-CB 3.82Å; F524-V551 PolarHBondContact N-O 3.2Å; F524-L552 HydrophobicContact CB-CD1 3.93Å; F524-L552 WeakPolarHBondContact O-CA 3.4Å; F524-L553 PolarHBondContact O-N 3.25Å
525	I	93.5	Very high	91.9	Very high	65 Å²	65	66.2 Å²	66.2	33%	0.333	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.3	-174.8	-55	176.3	0	0	0	108.8	M501 V505 L523 L553	M501-I525 HydrophobicContact CE-CG2 3.82Å; M501-I525 HydrophobicContact SD-CG2 4.18Å; V505-I525 HydrophobicContact CG1-CD1 3.99Å; L523-I525 HydrophobicContact CD2-CD1 4.5Å; L523-I525 HydrophobicContact CG-CG1 4.49Å; I525-L553 HydrophobicContact CG1-CB 4.48Å; I525-L553 HydrophobicContact CG1-CD1 4.31Å
526	E	92	Very high	91.8	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.324	C	S	.	.			trans	-69.4	132.8	171.3	-177.3	180	-176.2	0	0	110.2	Y498 M501 T533 L553 S554 V555 G558 K559 V560	Y498-E526 HydrophobicContact CE1-CG 4.24Å; Y498-E526 PolarHBondContact OH-OE1 3Å; M501-E526 VanDerWaalsContact CE-O 3.23Å; M501-E526 WeakPolarHBondContact CE-O 3.4Å; E526-T533 HydrophobicContact CG-CG2 3.99Å; E526-L553 WeakPolarHBondContact CB-O 2.93Å; E526-L553 PolarHBondContact N-O 2.89Å; E526-S554 VanDerWaalsContact OE2-CA 3.22Å; E526-S554 WeakPolarHBondContact OE2-CA 3.25Å; E526-S554 WeakPolarHBondContact OE2-CB 3.49Å; E526-V555 PolarHBondContact OE2-N 3.09Å; E526-G558 WeakPolarHBondContact OE1-CA 3.28Å; E526-K559 PolarHBondContact OE1-N 3.15Å; E526-V560 HydrophobicContact CB-CG2 4.34Å; E526-V560 HydrophobicContact CG-CG2 3.8Å; E526-V560 PolarHBondContact OE1-N 3.3Å
527	T	91.1	Very high	91.6	Very high	44 Å²	44	58.3 Å²	58.3	27%	0.27	31%	0.31	S	S	.	.			trans	-113.1	167.7	172.3	69.4	0	0	0	0	110	D529 E532 T533	T527-D529 PolarHBondContact O-N 3.31Å; T527-E532 WeakPolarHBondContact CB-OE2 3.4Å; T527-E532 WeakPolarHBondContact CG2-OE2 3.29Å; T527-E532 WeakPolarHBondContact OG1-CB 3.49Å; T527-E532 PolarHBondContact OG1-OE2 2.62Å; T527-T533 PolarHBondContact N-OG1 3.12Å; T527-T533 PolarHBondContact O-OG1 2.67Å
528	K	87.1	Confident	91.3	Very high	109 Å²	109	64.1 Å²	64.1	47%	0.474	34%	0.337	S	S	.	.	S	Bend	trans	-66.9	-22.8	176.4	-65.4	176.7	-176	111.3	0	111.7	Y498 E502 K559	Y498-K528 HydrophobicContact CD1-CG 4.04Å; Y498-K528 HydrophobicContact CD2-CG 4.3Å; Y498-K528 HydrophobicContact CE1-CG 4Å; Y498-K528 HydrophobicContact CE2-CG 4.27Å; Y498-K528 HydrophobicContact CG-CG 4.19Å; E502-K528 IonicContact OE1-NZ 3.31Å; E502-K528 PolarHBondContact OE1-NZ 3.28Å; K528-K559 PolarHBondContact O-NZ 3.09Å
529	D	89.3	Confident	91.3	Very high	68 Å²	68	62.7 Å²	62.7	36%	0.364	33%	0.331	S	S	.	.			trans	-74	130.8	176.7	-178.5	33.4	0	0	0	111.5	T527 V531 E532 T533	T527-D529 PolarHBondContact O-N 3.31Å; D529-V531 PolarHBondContact OD1-N 3.21Å; D529-V531 WeakPolarHBondContact OD2-CB 3.5Å; D529-V531 PolarHBondContact OD2-N 3.08Å; D529-E532 HydrophobicContact CB-CB 4.27Å; D529-E532 HydrophobicContact CB-CG 4.36Å; D529-E532 PolarHBondContact OD2-N 3.31Å; D529-E532 VanDerWaalsContact OD2-N 3.15Å; D529-T533 VanDerWaalsContact O-CB 3.28Å; D529-T533 WeakPolarHBondContact O-CB 3.09Å; D529-T533 PolarHBondContact O-N 3.17Å; D529-T533 VanDerWaalsContact O-N 3.15Å; D529-T533 PolarHBondContact O-OG1 3.49Å
530	S	84	Confident	91.2	Very high	66 Å²	66	55.6 Å²	55.6	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-69.1	-32.7	178.9	38.9	0	0	0	0	113	A534	S530-A534 WeakPolarHBondContact O-CB 3.29Å; S530-A534 PolarHBondContact O-N 2.97Å
531	V	88.4	Confident	91	Very high	102 Å²	102	53.9 Å²	53.9	62%	0.618	30%	0.295	S	S	*	.	H	α-helix	trans	-74.5	-48.8	-175.3	-176.8	0	0	0	0	109.8	D529 T533 A534 L535	D529-V531 PolarHBondContact OD1-N 3.21Å; D529-V531 WeakPolarHBondContact OD2-CB 3.5Å; D529-V531 PolarHBondContact OD2-N 3.08Å; V531-T533 VanDerWaalsContact C-N 3.33Å; V531-T533 PolarHBondContact O-N 3.45Å; V531-A534 PolarHBondContact O-N 3.43Å; V531-L535 PolarHBondContact O-N 3.33Å
532	E	91.2	Very high	90.8	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.514	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-45.1	172.7	-73.5	-178.8	172.4	0	0	112.4	T527 D529 A534 L535 A536	T527-E532 WeakPolarHBondContact CB-OE2 3.4Å; T527-E532 WeakPolarHBondContact CG2-OE2 3.29Å; T527-E532 WeakPolarHBondContact OG1-CB 3.49Å; T527-E532 PolarHBondContact OG1-OE2 2.62Å; D529-E532 HydrophobicContact CB-CB 4.27Å; D529-E532 HydrophobicContact CB-CG 4.36Å; D529-E532 PolarHBondContact OD2-N 3.31Å; D529-E532 VanDerWaalsContact OD2-N 3.15Å; E532-A534 PolarHBondContact O-N 2.82Å; E532-L535 PolarHBondContact O-N 3.19Å; E532-A536 WeakPolarHBondContact O-CB 3.27Å; E532-A536 PolarHBondContact O-N 3.41Å
533	T	88.3	Confident	90.7	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-41.8	178.3	-63.8	0	0	0	0	112.1	E526 T527 D529 V531 L535 A536 L537 V560	E526-T533 HydrophobicContact CG-CG2 3.99Å; T527-T533 PolarHBondContact N-OG1 3.12Å; T527-T533 PolarHBondContact O-OG1 2.67Å; D529-T533 VanDerWaalsContact O-CB 3.28Å; D529-T533 WeakPolarHBondContact O-CB 3.09Å; D529-T533 PolarHBondContact O-N 3.17Å; D529-T533 VanDerWaalsContact O-N 3.15Å; D529-T533 PolarHBondContact O-OG1 3.49Å; V531-T533 VanDerWaalsContact C-N 3.33Å; V531-T533 PolarHBondContact O-N 3.45Å; T533-L535 VanDerWaalsContact C-N 3.33Å; T533-L535 PolarHBondContact O-N 3.23Å; T533-A536 PolarHBondContact O-N 3.32Å; T533-L537 HydrophobicContact CG2-CD1 4.14Å; T533-L537 HydrophobicContact CG2-CG 4.49Å; T533-L537 WeakPolarHBondContact O-CB 3.33Å; T533-L537 VanDerWaalsContact O-CG 3.27Å; T533-L537 WeakPolarHBondContact O-CG 3.44Å; T533-L537 PolarHBondContact O-N 3.32Å; T533-V560 HydrophobicContact CG2-CG2 3.47Å; T533-V560 VanDerWaalsContact CG2-CG2 3.47Å
534	A	87.7	Confident	90.5	Very high	58 Å²	58	55.4 Å²	55.4	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.2	0	0	0	0	0	111.9	S530 V531 E532 L537 H538	S530-A534 WeakPolarHBondContact O-CB 3.29Å; S530-A534 PolarHBondContact O-N 2.97Å; V531-A534 PolarHBondContact O-N 3.43Å; E532-A534 PolarHBondContact O-N 2.82Å; A534-L537 PolarHBondContact O-N 2.91Å; A534-H538 WeakPolarHBondContact O-CB 3.13Å; A534-H538 PolarHBondContact O-N 3.42Å
535	L	92	Very high	90.2	Very high	105 Å²	105	59.4 Å²	59.4	55%	0.55	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-42.6	175.4	-175.8	66.1	0	0	0	111.7	V531 E532 T533 L537 H538 N539	V531-L535 PolarHBondContact O-N 3.33Å; E532-L535 PolarHBondContact O-N 3.19Å; T533-L535 VanDerWaalsContact C-N 3.33Å; T533-L535 PolarHBondContact O-N 3.23Å; L535-L537 VanDerWaalsContact C-N 3.35Å; L535-L537 PolarHBondContact O-N 3.42Å; L535-H538 PolarHBondContact O-N 3.49Å; L535-N539 WeakPolarHBondContact O-CB 3.46Å; L535-N539 PolarHBondContact O-N 2.98Å; L535-N539 PolarHBondContact O-ND2 3.48Å
536	A	92.3	Very high	90	Very high	14 Å²	14	60.6 Å²	60.6	12%	0.116	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-43.3	176.7	0	0	0	0	0	111.5	E532 T533 N539 Y540	E532-A536 WeakPolarHBondContact O-CB 3.27Å; E532-A536 PolarHBondContact O-N 3.41Å; T533-A536 PolarHBondContact O-N 3.32Å; A536-N539 PolarHBondContact O-N 3.3Å; A536-Y540 VanDerWaalsContact O-CB 3.24Å; A536-Y540 WeakPolarHBondContact O-CB 3.46Å; A536-Y540 PolarHBondContact O-N 2.86Å
537	L	89.1	Confident	89.8	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-42.6	175.3	-72.8	168.4	0	0	0	112.8	T533 A534 L535 Y540 A541 L552 V560 V564 F566	T533-L537 HydrophobicContact CG2-CD1 4.14Å; T533-L537 HydrophobicContact CG2-CG 4.49Å; T533-L537 WeakPolarHBondContact O-CB 3.33Å; T533-L537 VanDerWaalsContact O-CG 3.27Å; T533-L537 WeakPolarHBondContact O-CG 3.44Å; T533-L537 PolarHBondContact O-N 3.32Å; A534-L537 PolarHBondContact O-N 2.91Å; L535-L537 VanDerWaalsContact C-N 3.35Å; L535-L537 PolarHBondContact O-N 3.42Å; L537-Y540 WeakPolarHBondContact O-CB 3.13Å; L537-Y540 PolarHBondContact O-N 2.56Å; L537-A541 PolarHBondContact O-N 2.94Å; L537-L552 HydrophobicContact CD2-CD2 3.58Å; L537-V560 HydrophobicContact CD1-CG2 4.19Å; L537-V560 HydrophobicContact CD2-CG1 4.15Å; L537-V560 HydrophobicContact CD2-CG2 4.23Å; L537-V560 HydrophobicContact CG-CG2 4.41Å; L537-V564 HydrophobicContact CD1-CB 4.42Å; L537-V564 HydrophobicContact CD1-CG1 4.12Å; L537-V564 HydrophobicContact CD1-CG2 3.57Å; L537-V564 HydrophobicContact CD2-CG1 4.13Å; L537-F566 HydrophobicContact CD2-CE1 4.14Å
538	H	89.9	Confident	89.6	Confident	122 Å²	122	67.3 Å²	67.3	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-62	-46	177	-179.9	71.8	0	0	0	111.3	A534 L535 A541 K542	A534-H538 WeakPolarHBondContact O-CB 3.13Å; A534-H538 PolarHBondContact O-N 3.42Å; L535-H538 PolarHBondContact O-N 3.49Å; H538-A541 PolarHBondContact O-N 3.38Å; H538-K542 WeakPolarHBondContact O-CB 3.39Å; H538-K542 PolarHBondContact O-N 3.42Å
539	N	93.2	Very high	89.8	Confident	58 Å²	58	62.2 Å²	62.2	31%	0.31	35%	0.35	S	S	.	.	H	α-helix	trans	-68.1	-35	177.6	-71	-31.8	0	0	0	112.5	F524 L535 A536 K542 A543	F524-N539 HydrophobicContact CD1-CB 4.22Å; F524-N539 HydrophobicContact CE1-CB 3.48Å; F524-N539 VanDerWaalsContact CE1-CB 3.48Å; F524-N539 HydrophobicContact CZ-CB 3.83Å; L535-N539 WeakPolarHBondContact O-CB 3.46Å; L535-N539 PolarHBondContact O-N 2.98Å; L535-N539 PolarHBondContact O-ND2 3.48Å; A536-N539 PolarHBondContact O-N 3.3Å; N539-K542 PolarHBondContact O-N 3.36Å; N539-A543 VanDerWaalsContact O-CB 3.28Å; N539-A543 WeakPolarHBondContact O-CB 3.39Å; N539-A543 PolarHBondContact O-N 3.21Å
540	Y	92.4	Very high	90	Very high	7 Å²	7	59 Å²	59	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-51.2	172.3	170.3	-95.7	0	0	0	111.5	G490 V492 F524 A536 L537 K542 A543 C544 A550 L552 F566 H569	G490-Y540 WeakPolarHBondContact CA-OH 3.29Å; V492-Y540 WeakPolarHBondContact CG2-OH 3.25Å; F524-Y540 HydrophobicContact CD2-CD2 4.08Å; A536-Y540 VanDerWaalsContact O-CB 3.24Å; A536-Y540 WeakPolarHBondContact O-CB 3.46Å; A536-Y540 PolarHBondContact O-N 2.86Å; L537-Y540 WeakPolarHBondContact O-CB 3.13Å; L537-Y540 PolarHBondContact O-N 2.56Å; Y540-K542 PolarHBondContact O-N 2.89Å; Y540-A543 PolarHBondContact O-N 3.09Å; Y540-C544 PolarHBondContact O-N 3.35Å; Y540-C544 PolarHBondContact O-SG 3.02Å; Y540-A550 HydrophobicContact CD2-CB 3.46Å; Y540-A550 VanDerWaalsContact CD2-CB 3.46Å; Y540-A550 HydrophobicContact CE2-CB 3.71Å; Y540-A550 HydrophobicContact CG-CB 4.39Å; Y540-L552 HydrophobicContact CD2-CB 3.69Å; Y540-L552 HydrophobicContact CE2-CB 3.66Å; Y540-L552 HydrophobicContact CG-CB 4.26Å; Y540-F566 HydrophobicContact CE1-CD1 4.45Å; Y540-H569 VanDerWaalsContact OH-CB 3.26Å; Y540-H569 WeakPolarHBondContact OH-CB 3.44Å
541	A	89.2	Confident	90.6	Very high	24 Å²	24	55.9 Å²	55.9	20%	0.198	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-47.1	178.1	0	0	0	0	0	111.4	L537 H538 A543 C544 E545 Y568	L537-A541 PolarHBondContact O-N 2.94Å; H538-A541 PolarHBondContact O-N 3.38Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A541-A543 PolarHBondContact O-N 2.95Å; A541-C544 PolarHBondContact O-N 3.27Å; A541-E545 WeakPolarHBondContact O-CG 3.46Å; A541-E545 PolarHBondContact O-N 3.45Å; A541-Y568 HydrophobicContact CB-CD2 4.16Å; A541-Y568 HydrophobicContact CB-CE2 4.27Å
542	K	91.6	Very high	90.8	Very high	123 Å²	123	51 Å²	51	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-38.9	177.2	-172.7	177	-178.3	178.2	0	112.7	H538 N539 Y540 E545 S546	H538-K542 WeakPolarHBondContact O-CB 3.39Å; H538-K542 PolarHBondContact O-N 3.42Å; N539-K542 PolarHBondContact O-N 3.36Å; Y540-K542 PolarHBondContact O-N 2.89Å; K542-E545 PolarHBondContact O-N 3.28Å; K542-S546 WeakPolarHBondContact O-CB 3.08Å; K542-S546 PolarHBondContact O-N 3.19Å; K542-S546 PolarHBondContact O-OG 3.25Å
543	A	92.7	Very high	91	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-35.3	178.5	0	0	0	0	0	112.9	L522 F524 N539 Y540 A541 R548 G549 A550	L522-A543 HydrophobicContact CD1-CB 3.99Å; F524-A543 HydrophobicContact CE2-CB 4Å; F524-A543 HydrophobicContact CZ-CB 4.28Å; N539-A543 VanDerWaalsContact O-CB 3.28Å; N539-A543 WeakPolarHBondContact O-CB 3.39Å; N539-A543 PolarHBondContact O-N 3.21Å; Y540-A543 PolarHBondContact O-N 3.09Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A541-A543 PolarHBondContact O-N 2.95Å; A543-R548 PolarHBondContact O-N 3.27Å; A543-G549 PolarHBondContact O-N 3.42Å; A543-A550 HydrophobicContact CB-CB 3.88Å
544	C	90	Very high	91.3	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-46.7	171.6	-67.1	0	0	0	0	111.3	G490 Y540 A541 S546 G547	G490-C544 VanDerWaalsContact CA-SG 3.52Å; Y540-C544 PolarHBondContact O-N 3.35Å; Y540-C544 PolarHBondContact O-SG 3.02Å; A541-C544 PolarHBondContact O-N 3.27Å; C544-S546 VanDerWaalsContact C-N 3.31Å; C544-S546 PolarHBondContact O-N 3.1Å; C544-G547 PolarHBondContact O-N 3.43Å
545	E	88.8	Confident	91.5	Very high	120 Å²	120	42.9 Å²	42.9	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-65.2	-33.4	179	-70.2	177.1	165.9	0	0	112.9	A541 K542 G547 Y568	A541-E545 WeakPolarHBondContact O-CG 3.46Å; A541-E545 PolarHBondContact O-N 3.45Å; K542-E545 PolarHBondContact O-N 3.28Å; E545-G547 PolarHBondContact O-N 3.25Å; E545-Y568 HydrophobicContact CG-CD1 4.09Å; E545-Y568 HydrophobicContact CG-CE1 3.9Å; E545-Y568 VanDerWaalsContact OE1-CE1 3.22Å; E545-Y568 WeakPolarHBondContact OE1-CE1 3.11Å; E545-Y568 PolarHBondContact OE1-OH 3.04Å
546	S	89.7	Confident	91.5	Very high	91 Å²	91	37.9 Å²	37.9	64%	0.636	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	0.6	178.6	-54	0	0	0	0	113.6	K542 C544 R548	K542-S546 WeakPolarHBondContact O-CB 3.08Å; K542-S546 PolarHBondContact O-N 3.19Å; K542-S546 PolarHBondContact O-OG 3.25Å; C544-S546 VanDerWaalsContact C-N 3.31Å; C544-S546 PolarHBondContact O-N 3.1Å; S546-R548 VanDerWaalsContact C-N 3.26Å; S546-R548 PolarHBondContact O-N 3.16Å
547	G	87.1	Confident	91.3	Very high	59 Å²	59	41.1 Å²	41.1	61%	0.608	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	2.3	178.1	0	0	0	0	0	115.7	C544 E545 G549	C544-G547 PolarHBondContact O-N 3.43Å; E545-G547 PolarHBondContact O-N 3.25Å; G547-G549 VanDerWaalsContact C-N 3.34Å
548	R	88.8	Confident	91	Very high	128 Å²	128	40.1 Å²	40.1	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	-73	-31.3	176.1	-176.5	61.1	-176.8	144.9	9.3	111.8	M518 K519 L522 A543 S546	M518-R548 PolarHBondContact O-NH2 3.43Å; K519-R548 PolarHBondContact O-NH2 2.89Å; L522-R548 HydrophobicContact CD1-CG 4Å; L522-R548 HydrophobicContact CD2-CG 4.48Å; L522-R548 HydrophobicContact CG-CG 3.83Å; A543-R548 PolarHBondContact O-N 3.27Å; S546-R548 VanDerWaalsContact C-N 3.26Å; S546-R548 PolarHBondContact O-N 3.16Å
549	G	90.5	Very high	90.4	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	21%	0.207	C	C	.	.			trans	76.3	150	-172.4	0	0	0	0	0	112.7	D489 L522 A543 G547	D489-G549 CarbonylContact O-C 3.42Å; D489-G549 WeakPolarHBondContact O-CA 3.47Å; L522-G549 PolarHBondContact N-O 3.48Å; L522-G549 VanDerWaalsContact N-O 3.07Å; A543-G549 PolarHBondContact O-N 3.42Å; G547-G549 VanDerWaalsContact C-N 3.34Å
550	A	94.3	Very high	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.1	-173.2	0	0	0	0	0	112.4	D489 G490 I491 L522 F524 Y540 A543	D489-A550 PolarHBondContact O-N 3.23Å; G490-A550 CarbonylContact C-O 3.54Å; G490-A550 VanDerWaalsContact CA-O 3.29Å; G490-A550 WeakPolarHBondContact CA-O 3.22Å; I491-A550 PolarHBondContact N-O 2.88Å; L522-A550 CarbonylContact O-C 3.53Å; L522-A550 VanDerWaalsContact O-CA 3.27Å; L522-A550 WeakPolarHBondContact O-CA 3.24Å; F524-A550 HydrophobicContact CD2-CB 4.03Å; F524-A550 HydrophobicContact CE2-CB 3.82Å; Y540-A550 HydrophobicContact CD2-CB 3.46Å; Y540-A550 VanDerWaalsContact CD2-CB 3.46Å; Y540-A550 HydrophobicContact CE2-CB 3.71Å; Y540-A550 HydrophobicContact CG-CB 4.39Å; A543-A550 HydrophobicContact CB-CB 3.88Å
551	V	94.8	Very high	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.1	173.3	178.4	0	0	0	0	107.4	L480 I491 I517 K521 L522 L523 F524 L553	L480-V551 HydrophobicContact CD1-CG1 3.97Å; L480-V551 HydrophobicContact CD2-CG1 4.22Å; I491-V551 HydrophobicContact CB-CG2 4.28Å; I491-V551 HydrophobicContact CD1-CG2 4.45Å; I491-V551 CarbonylContact O-C 3.45Å; I491-V551 WeakPolarHBondContact O-CA 3.39Å; I517-V551 HydrophobicContact CG2-CG2 4.46Å; K521-V551 HydrophobicContact CB-CG2 3.87Å; K521-V551 HydrophobicContact CD-CG2 3.9Å; L522-V551 PolarHBondContact O-N 3.36Å; L523-V551 HydrophobicContact CD1-CB 3.8Å; L523-V551 HydrophobicContact CD1-CG1 3.71Å; F524-V551 PolarHBondContact N-O 3.2Å; V551-L553 HydrophobicContact CG1-CD2 3.68Å
552	L	94.2	Very high	88.5	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.4	173.1	-178.4	67	0	0	0	109.5	I491 V492 C493 F524 L537 Y540 V560 F566	I491-L552 PolarHBondContact O-N 3.01Å; V492-L552 HydrophobicContact CG1-CD2 4.45Å; V492-L552 HydrophobicContact CG2-CB 4.46Å; C493-L552 PolarHBondContact N-O 3.35Å; F524-L552 HydrophobicContact CB-CD1 3.93Å; F524-L552 WeakPolarHBondContact O-CA 3.4Å; L537-L552 HydrophobicContact CD2-CD2 3.58Å; Y540-L552 HydrophobicContact CD2-CB 3.69Å; Y540-L552 HydrophobicContact CE2-CB 3.66Å; Y540-L552 HydrophobicContact CG-CB 4.26Å; L552-V560 HydrophobicContact CD2-CG1 4Å; L552-F566 HydrophobicContact CD2-CE1 3.6Å; L552-F566 HydrophobicContact CD2-CZ 4.1Å
553	L	95	Very high	87.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118	169.1	-50.8	-171.4	0	0	0	108.3	L480 C493 F495 M501 V505 W508 L523 F524 I525 E526 V551	L480-L553 HydrophobicContact CD2-CD2 3.96Å; C493-L553 HydrophobicContact CB-CD2 3.76Å; F495-L553 HydrophobicContact CE2-CB 4.05Å; F495-L553 HydrophobicContact CE2-CD1 4.29Å; F495-L553 HydrophobicContact CE2-CD2 4.05Å; F495-L553 HydrophobicContact CE2-CG 4.34Å; M501-L553 HydrophobicContact SD-CB 4.15Å; V505-L553 HydrophobicContact CG2-CD1 3.57Å; W508-L553 HydrophobicContact CZ3-CD1 4.21Å; L523-L553 HydrophobicContact CD1-CD1 3.89Å; L523-L553 HydrophobicContact CD1-CD2 3.98Å; L523-L553 HydrophobicContact CD1-CG 3.7Å; L523-L553 HydrophobicContact CD2-CD1 4.27Å; L523-L553 HydrophobicContact CG-CD1 4.38Å; L523-L553 HydrophobicContact CG-CG 4.45Å; F524-L553 PolarHBondContact O-N 3.25Å; I525-L553 HydrophobicContact CG1-CB 4.48Å; I525-L553 HydrophobicContact CG1-CD1 4.31Å; E526-L553 WeakPolarHBondContact CB-O 2.93Å; E526-L553 PolarHBondContact N-O 2.89Å; V551-L553 HydrophobicContact CG1-CD2 3.68Å
554	S	93.7	Very high	86.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	169.7	-174.3	56.9	0	0	0	0	110.4	C493 F494 F495 E526	C493-S554 PolarHBondContact O-N 3.2Å; C493-S554 PolarHBondContact O-OG 3.23Å; F494-S554 CarbonylContact C-O 3.55Å; F494-S554 WeakPolarHBondContact CA-O 3.38Å; F494-S554 WeakPolarHBondContact CD1-OG 3.5Å; F494-S554 WeakPolarHBondContact CE1-OG 3.25Å; F495-S554 PolarHBondContact N-O 3.04Å; E526-S554 VanDerWaalsContact OE2-CA 3.22Å; E526-S554 WeakPolarHBondContact OE2-CA 3.25Å; E526-S554 WeakPolarHBondContact OE2-CB 3.49Å
555	V	93.3	Very high	85.1	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.3	178	179.5	0	0	0	0	109.3	Y498 M501 E526 R557 G558	Y498-V555 HydrophobicContact CD1-CG2 3.73Å; Y498-V555 HydrophobicContact CD2-CB 4.4Å; Y498-V555 HydrophobicContact CD2-CG1 4.29Å; Y498-V555 HydrophobicContact CD2-CG2 3.97Å; Y498-V555 HydrophobicContact CE1-CG2 3.81Å; Y498-V555 HydrophobicContact CE2-CB 4.13Å; Y498-V555 HydrophobicContact CE2-CG1 4.26Å; Y498-V555 HydrophobicContact CE2-CG2 4.02Å; Y498-V555 HydrophobicContact CG-CG2 3.82Å; M501-V555 HydrophobicContact CE-CG2 4.16Å; M501-V555 HydrophobicContact SD-CG2 4.19Å; E526-V555 PolarHBondContact OE2-N 3.09Å; V555-R557 PolarHBondContact O-N 3.03Å; V555-G558 WeakPolarHBondContact O-CA 3.44Å; V555-G558 PolarHBondContact O-N 3.22Å
556	A	91.5	Very high	84.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.8	-177.3	0	0	0	0	0	112.9	F494 F495 S561 M574 P578 Q613 C617	F494-A556 HydrophobicContact CB-CB 4.23Å; F495-A556 PolarHBondContact O-N 3.06Å; A556-S561 WeakPolarHBondContact O-CB 3.49Å; A556-S561 PolarHBondContact O-OG 3.38Å; A556-M574 HydrophobicContact CB-CE 4Å; A556-P578 HydrophobicContact CB-CB 3.61Å; A556-P578 HydrophobicContact CB-CG 4.27Å; A556-Q613 HydrophobicContact CB-CG 4.23Å; A556-Q613 VanDerWaalsContact O-CD 3.29Å; A556-Q613 WeakPolarHBondContact O-CG 3.4Å; A556-Q613 PolarHBondContact O-NE2 3.14Å; A556-C617 PolarHBondContact O-SG 2.94Å; A556-C617 VanDerWaalsContact O-SG 3.41Å
557	R	87.1	Confident	83	Confident	82 Å²	82	30.4 Å²	30.4	31%	0.309	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.4	172.4	-60.4	-175.4	-171.2	-95.8	-8.5	112.9	V555 P578 I580 D609 Q613	V555-R557 PolarHBondContact O-N 3.03Å; R557-P578 PolarHBondContact NE-O 3.4Å; R557-P578 PolarHBondContact NH2-O 2.78Å; R557-I580 VanDerWaalsContact CZ-CG1 3.42Å; R557-I580 VanDerWaalsContact NH2-CG1 3.33Å; R557-D609 IonicContact CZ-OD2 3.76Å; R557-D609 VanDerWaalsContact CZ-OD2 3.25Å; R557-D609 IonicContact NH1-OD1 3.77Å; R557-D609 IonicContact NH1-OD2 3.85Å; R557-D609 PolarHBondContact NH1-OD2 3.11Å; R557-D609 IonicContact NH2-OD2 3.67Å; R557-D609 PolarHBondContact NH2-OD2 3.5Å; R557-Q613 HydrophobicContact CG-CG 3.89Å
558	G	82.3	Confident	81.8	Confident	5 Å²	5	32.4 Å²	32.4	5%	0.052	16%	0.158	C	C	.	.	S	Bend	trans	-75.8	-176.5	177.6	0	0	0	0	0	112.1	E526 V555 V560 S561	E526-G558 WeakPolarHBondContact OE1-CA 3.28Å; V555-G558 WeakPolarHBondContact O-CA 3.44Å; V555-G558 PolarHBondContact O-N 3.22Å; G558-V560 VanDerWaalsContact C-N 3.33Å; G558-S561 PolarHBondContact O-OG 3.4Å; G558-S561 VanDerWaalsContact O-OG 3.09Å
559	K	77.8	Confident	80.7	Confident	103 Å²	103	26.8 Å²	26.8	45%	0.448	14%	0.137	S	C	.	.	S	Bend	trans	-74.4	-33.1	177.4	-69.5	171.6	179	163.6	0	110.7	E526 K528 S561 E562 G563	E526-K559 PolarHBondContact OE1-N 3.15Å; K528-K559 PolarHBondContact O-NZ 3.09Å; K559-S561 VanDerWaalsContact C-N 3.34Å; K559-S561 PolarHBondContact O-N 3.4Å; K559-E562 PolarHBondContact O-N 2.82Å; K559-G563 PolarHBondContact O-N 3.17Å
560	V	82.2	Confident	79.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-40.1	-177.3	171.3	0	0	0	0	111.7	E526 T533 L537 L552 G558 E562 F566	E526-V560 HydrophobicContact CB-CG2 4.34Å; E526-V560 HydrophobicContact CG-CG2 3.8Å; E526-V560 PolarHBondContact OE1-N 3.3Å; T533-V560 HydrophobicContact CG2-CG2 3.47Å; T533-V560 VanDerWaalsContact CG2-CG2 3.47Å; L537-V560 HydrophobicContact CD1-CG2 4.19Å; L537-V560 HydrophobicContact CD2-CG1 4.15Å; L537-V560 HydrophobicContact CD2-CG2 4.23Å; L537-V560 HydrophobicContact CG-CG2 4.41Å; L552-V560 HydrophobicContact CD2-CG1 4Å; G558-V560 VanDerWaalsContact C-N 3.33Å; V560-E562 PolarHBondContact O-N 3.31Å; V560-F566 HydrophobicContact CG1-CE1 3.94Å; V560-F566 HydrophobicContact CG1-CE2 4.3Å; V560-F566 HydrophobicContact CG1-CZ 3.32Å
561	S	80.9	Confident	79.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-74.4	-9.2	-178.3	62	0	0	0	0	114.6	A556 G558 K559 Q616 R620	A556-S561 WeakPolarHBondContact O-CB 3.49Å; A556-S561 PolarHBondContact O-OG 3.38Å; G558-S561 PolarHBondContact O-OG 3.4Å; G558-S561 VanDerWaalsContact O-OG 3.09Å; K559-S561 VanDerWaalsContact C-N 3.34Å; K559-S561 PolarHBondContact O-N 3.4Å; S561-Q616 PolarHBondContact O-NE2 3.25Å; S561-R620 PolarHBondContact O-NE 3.04Å; S561-R620 PolarHBondContact O-NH2 3.41Å
562	E	72	Confident	79.6	Confident	59 Å²	59	27.5 Å²	27.5	28%	0.276	14%	0.14	S	C	.	.	H	α-helix	trans	-104.7	-39	-175.4	-65.4	-156.9	138.8	0	0	114.3	R34 K559 V560 R620	R34-E562 IonicContact CZ-OE1 3.97Å; R34-E562 VanDerWaalsContact CZ-OE1 3.23Å; R34-E562 IonicContact CZ-OE2 3.87Å; R34-E562 VanDerWaalsContact NH1-CD 3.29Å; R34-E562 IonicContact NH1-OE1 3.99Å; R34-E562 PolarHBondContact NH1-OE1 2.89Å; R34-E562 IonicContact NH1-OE2 2.62Å; R34-E562 IonicContact NH2-OE1 2.97Å; R34-E562 PolarHBondContact NH2-OE1 3.34Å; R34-E562 IonicContact NH2-OE2 2.82Å; R34-E562 PolarHBondContact NH2-OE2 3.11Å; R34-E562 VanDerWaalsContact NH2-OE2 3.11Å; K559-E562 PolarHBondContact O-N 2.82Å; V560-E562 PolarHBondContact O-N 3.31Å; E562-R620 VanDerWaalsContact CA-NH2 3.27Å; E562-R620 PolarHBondContact O-NH2 2.87Å
563	G	64.7	Low	79.6	Confident	29 Å²	29	27.5 Å²	27.5	30%	0.299	14%	0.14	S	C	.	.	H	α-helix	trans	-126	-3.2	-168.2	0	0	0	0	0	115.8	K559	K559-G563 PolarHBondContact O-N 3.17Å
564	V	70.1	Confident	79.6	Confident	39 Å²	39	27.5 Å²	27.5	24%	0.236	14%	0.14	C	C	.	.			trans	-105.7	121.7	-174.5	-171.4	0	0	0	0	109.4	L537 F566 R620	L537-V564 HydrophobicContact CD1-CB 4.42Å; L537-V564 HydrophobicContact CD1-CG1 4.12Å; L537-V564 HydrophobicContact CD1-CG2 3.57Å; L537-V564 HydrophobicContact CD2-CG1 4.13Å; V564-F566 HydrophobicContact CG1-CD1 4.43Å; V564-F566 HydrophobicContact CG1-CE1 4.34Å; V564-R620 PolarHBondContact O-NH1 2.88Å
565	D	68.6	Low	79.6	Confident	63 Å²	63	27.6 Å²	27.6	34%	0.337	14%	0.141	S	C	.	.			trans	-87.5	129.4	169.4	-70	-44.9	0	0	0	109.3	K41 R623	K41-D565 IonicContact NZ-OD2 2.54Å; K41-D565 PolarHBondContact NZ-OD2 3.29Å; D565-R623 VanDerWaalsContact CB-NH2 3.29Å; D565-R623 PolarHBondContact O-NH2 3.34Å
566	F	69.8	Low	79.7	Confident	10 Å²	10	27.5 Å²	27.5	4%	0.044	14%	0.14	C	C	.	.			trans	-101.4	115.5	-179	-60.8	-75.9	0	0	0	110.3	V492 F494 L537 Y540 L552 V560 V564 H569 R620 R623	V492-F566 HydrophobicContact CG1-CE1 4.48Å; V492-F566 HydrophobicContact CG1-CE2 4.42Å; V492-F566 HydrophobicContact CG1-CZ 3.99Å; V492-F566 HydrophobicContact CG2-CD1 4.16Å; V492-F566 HydrophobicContact CG2-CE1 4.05Å; V492-F566 HydrophobicContact CG2-CG 4.47Å; V492-F566 HydrophobicContact CG2-CZ 4.25Å; F494-F566 AromaticContact CZ-CE2 3.97Å; F494-F566 HydrophobicContact CZ-CE2 3.97Å; F494-F566 HydrophobicContact CZ-CZ 4.27Å; L537-F566 HydrophobicContact CD2-CE1 4.14Å; Y540-F566 HydrophobicContact CE1-CD1 4.45Å; L552-F566 HydrophobicContact CD2-CE1 3.6Å; L552-F566 HydrophobicContact CD2-CZ 4.1Å; V560-F566 HydrophobicContact CG1-CE1 3.94Å; V560-F566 HydrophobicContact CG1-CE2 4.3Å; V560-F566 HydrophobicContact CG1-CZ 3.32Å; V564-F566 HydrophobicContact CG1-CD1 4.43Å; V564-F566 HydrophobicContact CG1-CE1 4.34Å; F566-H569 WeakPolarHBondContact CB-CE1 3.47Å; F566-H569 WeakPolarHBondContact CB-ND1 3.5Å; F566-H569 VanDerWaalsContact CB-NE2 3.32Å; F566-H569 WeakPolarHBondContact CB-NE2 3.45Å; F566-H569 AromaticContact CD2-NE2 3.93Å; F566-H569 AromaticContact CG-NE2 3.89Å; F566-H569 PolarHBondContact O-CE1 2.9Å; F566-H569 PolarHBondContact O-ND1 2.88Å; F566-R620 HydrophobicContact CD2-CB 4.22Å; F566-R623 VanDerWaalsContact C-CZ 3.41Å; F566-R623 PolarHBondContact O-NE 2.89Å; F566-R623 PolarHBondContact O-NH2 3.18Å
567	S	64.9	Low	79.8	Confident	55 Å²	55	27.5 Å²	27.5	39%	0.385	14%	0.14	S	C	.	.	S	Bend	trans	-91.6	-26.6	-177.1	-19.2	0	0	0	0	112.3	R623	S567-R623 VanDerWaalsContact CA-NH1 3.3Å; S567-R623 VanDerWaalsContact CA-NH2 3.32Å; S567-R623 VanDerWaalsContact CB-CZ 3.41Å; S567-R623 VanDerWaalsContact N-CZ 3.3Å; S567-R623 VanDerWaalsContact OG-CZ 3.28Å; S567-R623 PolarHBondContact OG-NH1 3.26Å; S567-R623 PolarHBondContact OG-NH2 2.99Å
568	Y	62	Low	80	Confident	102 Å²	102	23.6 Å²	23.6	40%	0.4	13%	0.125	S	C	.	.	S	Bend	trans	-119.1	23.7	-152.5	-51.8	-77.9	0	0	0	112.2	A541 E545	A541-Y568 HydrophobicContact CB-CD2 4.16Å; A541-Y568 HydrophobicContact CB-CE2 4.27Å; E545-Y568 HydrophobicContact CG-CD1 4.09Å; E545-Y568 HydrophobicContact CG-CE1 3.9Å; E545-Y568 VanDerWaalsContact OE1-CE1 3.22Å; E545-Y568 WeakPolarHBondContact OE1-CE1 3.11Å; E545-Y568 PolarHBondContact OE1-OH 3.04Å
569	H	64.9	Low	80.5	Confident	9 Å²	9	25.8 Å²	25.8	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.6	-172.4	67.9	-38.7	0	0	0	109.3	G490 V492 Y540 F566	G490-H569 WeakPolarHBondContact O-CA 3.48Å; V492-H569 HydrophobicContact CG2-CB 4.13Å; Y540-H569 VanDerWaalsContact OH-CB 3.26Å; Y540-H569 WeakPolarHBondContact OH-CB 3.44Å; F566-H569 WeakPolarHBondContact CB-CE1 3.47Å; F566-H569 WeakPolarHBondContact CB-ND1 3.5Å; F566-H569 VanDerWaalsContact CB-NE2 3.32Å; F566-H569 WeakPolarHBondContact CB-NE2 3.45Å; F566-H569 AromaticContact CD2-NE2 3.93Å; F566-H569 AromaticContact CG-NE2 3.89Å; F566-H569 PolarHBondContact O-CE1 2.9Å; F566-H569 PolarHBondContact O-ND1 2.88Å
570	L	74	Confident	80.8	Confident	18 Å²	18	22.4 Å²	22.4	9%	0.094	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-15.9	-176.5	-67.3	177.4	0	0	0	111.9	I487 P488 D489 G490 Y628 L630	I487-L570 HydrophobicContact CG2-CB 4.01Å; P488-L570 HydrophobicContact CB-CD1 3.57Å; P488-L570 HydrophobicContact CG-CD1 3.48Å; P488-L570 VanDerWaalsContact CG-CD1 3.48Å; D489-L570 HydrophobicContact CB-CD1 4.4Å; G490-L570 PolarHBondContact O-N 3.29Å; L570-Y628 HydrophobicContact CD1-CE2 4.48Å; L570-Y628 HydrophobicContact CD2-CD2 4.2Å; L570-Y628 HydrophobicContact CD2-CE2 3.56Å; L570-L630 PolarHBondContact O-N 2.95Å
571	A	89.3	Confident	80.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.3	-178.9	0	0	0	0	0	114.4	I487 I491 V492 L630	I487-A571 HydrophobicContact CD1-CB 3.6Å; I487-A571 HydrophobicContact CG1-CB 4.37Å; I487-A571 HydrophobicContact CG2-CB 3.84Å; I491-A571 WeakPolarHBondContact CA-O 3.46Å; V492-A571 PolarHBondContact N-O 3Å; A571-L630 CarbonylContact C-O 3.52Å; A571-L630 VanDerWaalsContact CA-O 3.25Å; A571-L630 WeakPolarHBondContact CA-O 3.39Å; A571-L630 HydrophobicContact CB-CB 3.91Å; A571-L630 HydrophobicContact CB-CD2 4.14Å; A571-L630 HydrophobicContact CB-CG 4.36Å
572	V	92.6	Very high	80.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	171.5	178.3	0	0	0	0	109.1	V492 F494 V618 L630 I632	V492-V572 CarbonylContact O-C 3.45Å; V492-V572 WeakPolarHBondContact O-CA 3.35Å; F494-V572 HydrophobicContact CD2-CG1 3.6Å; F494-V572 HydrophobicContact CE2-CG1 3.57Å; V572-V618 HydrophobicContact CG1-CG2 4.12Å; V572-L630 PolarHBondContact N-O 3.02Å; V572-I632 PolarHBondContact O-N 3.01Å
573	I	95	Very high	80.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.3	177.9	-49.9	-175.5	0	0	0	108.9	L479 L480 M483 I491 V492 C493 F494 M575 I632 A634	L479-I573 HydrophobicContact CD2-CG2 4.21Å; L480-I573 HydrophobicContact CD1-CD1 4.32Å; M483-I573 HydrophobicContact CB-CD1 4.22Å; M483-I573 HydrophobicContact CG-CD1 4.39Å; I491-I573 HydrophobicContact CG2-CD1 3.81Å; I491-I573 HydrophobicContact CG2-CG1 4.01Å; V492-I573 PolarHBondContact O-N 3.38Å; C493-I573 CarbonylContact C-O 3.6Å; C493-I573 WeakPolarHBondContact CA-O 3.32Å; F494-I573 PolarHBondContact N-O 2.74Å; I573-M575 HydrophobicContact CG2-CG 4.27Å; I573-M575 HydrophobicContact CG2-SD 3.58Å; I573-M575 VanDerWaalsContact CG2-SD 3.58Å; I573-M575 PolarHBondContact O-N 3.19Å; I573-I632 CarbonylContact C-O 3.6Å; I573-I632 WeakPolarHBondContact CA-O 3.1Å; I573-I632 HydrophobicContact CB-CB 4.5Å; I573-I632 HydrophobicContact CD1-CD1 4.2Å; I573-I632 HydrophobicContact CG1-CB 4.26Å; I573-I632 HydrophobicContact CG1-CD1 4Å; I573-I632 HydrophobicContact CG2-CB 4.26Å; I573-I632 HydrophobicContact CG2-CG2 4.2Å; I573-A634 HydrophobicContact CG2-CB 4.4Å
574	M	95.3	Very high	81.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.2	171.8	-66.7	-58.5	-52.6	0	0	109.6	F494 A556 G576 P578 A614 C617 V618 I632 F633 A634	F494-M574 HydrophobicContact CB-CE 3.82Å; F494-M574 HydrophobicContact CB-SD 3.59Å; F494-M574 VanDerWaalsContact CB-SD 3.59Å; F494-M574 HydrophobicContact CD2-SD 3.68Å; F494-M574 HydrophobicContact CG-SD 3.94Å; A556-M574 HydrophobicContact CB-CE 4Å; M574-G576 PolarHBondContact O-N 3.49Å; M574-P578 HydrophobicContact CE-CG 4.31Å; M574-A614 HydrophobicContact CE-CB 4.16Å; M574-C617 HydrophobicContact CE-CB 4.19Å; M574-C617 HydrophobicContact SD-CB 3.51Å; M574-C617 VanDerWaalsContact SD-CB 3.51Å; M574-V618 HydrophobicContact CG-CG2 3.36Å; M574-V618 HydrophobicContact SD-CG2 3.94Å; M574-I632 PolarHBondContact N-O 3.05Å; M574-F633 HydrophobicContact CB-CD1 4.21Å; M574-F633 HydrophobicContact CG-CD1 4.2Å; M574-F633 HydrophobicContact CG-CE1 4.3Å; M574-A634 WeakPolarHBondContact O-CB 3.29Å; M574-A634 PolarHBondContact O-N 2.94Å
575	M	94.4	Very high	82	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	95.9	-179.9	-57.8	-68.6	-90.8	0	0	109	Y476 L479 C493 F494 F495 T496 W508 I573 A634	Y476-M575 HydrophobicContact CD1-CE 3.24Å; Y476-M575 HydrophobicContact CD1-SD 3.6Å; Y476-M575 VanDerWaalsContact CD1-SD 3.6Å; Y476-M575 HydrophobicContact CE1-CB 4.48Å; Y476-M575 HydrophobicContact CE1-CE 4.19Å; Y476-M575 HydrophobicContact CE1-SD 4.08Å; Y476-M575 HydrophobicContact CG-CE 3.52Å; Y476-M575 HydrophobicContact CG-SD 4.45Å; L479-M575 HydrophobicContact CD2-SD 4.44Å; C493-M575 HydrophobicContact CB-CG 4.49Å; F494-M575 WeakPolarHBondContact O-CB 3.34Å; F494-M575 PolarHBondContact O-N 3.19Å; F495-M575 HydrophobicContact CD1-CB 4.27Å; F495-M575 HydrophobicContact CE1-CB 4.47Å; F495-M575 HydrophobicContact CZ-CE 4.5Å; T496-M575 WeakPolarHBondContact CG2-O 3.35Å; W508-M575 HydrophobicContact CH2-CE 4.09Å; W508-M575 HydrophobicContact CZ2-CE 4.19Å; I573-M575 HydrophobicContact CG2-CG 4.27Å; I573-M575 HydrophobicContact CG2-SD 3.58Å; I573-M575 VanDerWaalsContact CG2-SD 3.58Å; I573-M575 PolarHBondContact O-N 3.19Å; M575-A634 HydrophobicContact SD-CB 4.2Å
576	G	93.6	Very high	82.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	83.1	-179.3	-175.3	0	0	0	0	0	114.9	T462 M574 A634 D635 Y638	T462-G576 WeakPolarHBondContact OG1-CA 3.45Å; M574-G576 PolarHBondContact O-N 3.49Å; G576-A634 PolarHBondContact N-O 2.9Å; G576-A634 VanDerWaalsContact N-O 3.09Å; G576-D635 WeakPolarHBondContact CA-OD2 3.44Å; G576-Y638 PolarHBondContact O-OH 3.44Å
577	V	93.8	Very high	83.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.			trans	-97.6	122.9	175.8	-178.4	0	0	0	0	109.2	T462 T496 Y579 A610 M611 D635 R637 Y638	T462-V577 PolarHBondContact OG1-N 3.37Å; T496-V577 WeakPolarHBondContact CG2-O 3.37Å; V577-Y579 HydrophobicContact CB-CD2 3.85Å; V577-Y579 HydrophobicContact CB-CE2 3.75Å; V577-Y579 HydrophobicContact CG1-CD2 3.55Å; V577-Y579 HydrophobicContact CG1-CE2 3.34Å; V577-Y579 HydrophobicContact CG1-CG 4.32Å; V577-Y579 PolarHBondContact O-N 3.44Å; V577-A610 HydrophobicContact CG1-CB 3.76Å; V577-M611 HydrophobicContact CG1-CE 3.53Å; V577-D635 HydrophobicContact CG2-CB 4.17Å; V577-R637 HydrophobicContact CG2-CB 4.05Å; V577-Y638 HydrophobicContact CG2-CD2 4.09Å; V577-Y638 HydrophobicContact CG2-CE2 3.66Å
578	P	92.8	Very high	84.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	17%	0.168	C	C	.	.			trans	-79.3	62	-172.2	34.5	-38.1	0	0	0	112.3	A556 R557 M574 A610 Q613 A614 Y638	A556-P578 HydrophobicContact CB-CB 3.61Å; A556-P578 HydrophobicContact CB-CG 4.27Å; R557-P578 PolarHBondContact NE-O 3.4Å; R557-P578 PolarHBondContact NH2-O 2.78Å; M574-P578 HydrophobicContact CE-CG 4.31Å; P578-A610 WeakPolarHBondContact CG-O 3.39Å; P578-Q613 HydrophobicContact CB-CG 4.43Å; P578-Q613 HydrophobicContact CG-CB 4.07Å; P578-Q613 HydrophobicContact CG-CG 4.34Å; P578-A614 HydrophobicContact CG-CB 4.07Å; P578-Y638 WeakPolarHBondContact CD-OH 3.37Å
579	Y	91	Very high	86.3	Confident	51 Å²	51	33.4 Å²	33.4	20%	0.2	15%	0.152	C	C	.	.			trans	-63.3	145.1	174.9	-79.5	-73	0	0	0	112.1	V577 L606 A610 K643	V577-Y579 HydrophobicContact CB-CD2 3.85Å; V577-Y579 HydrophobicContact CB-CE2 3.75Å; V577-Y579 HydrophobicContact CG1-CD2 3.55Å; V577-Y579 HydrophobicContact CG1-CE2 3.34Å; V577-Y579 HydrophobicContact CG1-CG 4.32Å; V577-Y579 PolarHBondContact O-N 3.44Å; Y579-L606 HydrophobicContact CD1-CB 4.25Å; Y579-L606 HydrophobicContact CE1-CB 4.09Å; Y579-L606 WeakPolarHBondContact CE1-O 3.26Å; Y579-A610 HydrophobicContact CD1-CB 3.9Å; Y579-A610 HydrophobicContact CE1-CB 4.03Å; Y579-A610 HydrophobicContact CG-CB 4.28Å; Y579-K643 WeakPolarHBondContact OH-CE 3.38Å; Y579-K643 PolarHBondContact OH-NZ 3.31Å
580	I	85.6	Confident	87.5	Confident	32 Å²	32	33.6 Å²	33.6	16%	0.164	15%	0.153	C	C	.	.			trans	-65	151.8	166.9	-53	166.6	0	0	0	108.8	R557 T582 I587 D609	R557-I580 VanDerWaalsContact CZ-CG1 3.42Å; R557-I580 VanDerWaalsContact NH2-CG1 3.33Å; I580-T582 PolarHBondContact O-N 2.87Å; I580-I587 HydrophobicContact CD1-CD1 4.2Å; I580-I587 HydrophobicContact CG2-CD1 3.88Å; I580-I587 HydrophobicContact CG2-CG1 3.73Å; I580-D609 HydrophobicContact CD1-CB 4.32Å; I580-D609 WeakPolarHBondContact CD1-OD2 3.31Å; I580-D609 WeakPolarHBondContact CG1-OD2 3.34Å
581	Y	79.8	Confident	88.4	Confident	116 Å²	116	33.2 Å²	33.2	46%	0.455	15%	0.151	S	C	.	.			trans	-63.4	105.6	169.8	-173.1	-119.9	0	0	0	110.8	E583 S584	Y581-E583 VanDerWaalsContact C-N 3.29Å; Y581-E583 HydrophobicContact CD1-CB 4.34Å; Y581-E583 HydrophobicContact CE1-CB 3.71Å; Y581-E583 HydrophobicContact CE2-CB 4.05Å; Y581-E583 HydrophobicContact CE2-CG 4.12Å; Y581-E583 VanDerWaalsContact CZ-OE2 3.28Å; Y581-E583 PolarHBondContact O-N 2.92Å; Y581-E583 PolarHBondContact OH-OE2 2.84Å; Y581-S584 WeakPolarHBondContact O-CB 3.48Å; Y581-S584 PolarHBondContact O-N 2.92Å
582	T	75.4	Confident	88.5	Confident	65 Å²	65	37.7 Å²	37.7	40%	0.399	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.7	-173.7	49.9	0	0	0	0	114.1	I580 S584 R588 L606	I580-T582 PolarHBondContact O-N 2.87Å; T582-S584 VanDerWaalsContact C-N 3.31Å; T582-R588 PolarHBondContact O-NE 3.49Å; T582-L606 HydrophobicContact CG2-CD1 3.89Å; T582-L606 HydrophobicContact CG2-CD2 3.95Å
583	E	74.1	Confident	88.5	Confident	98 Å²	98	39.2 Å²	39.2	46%	0.458	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.7	175.4	-52.5	-176.1	150.7	0	0	112	Y581 R585	Y581-E583 VanDerWaalsContact C-N 3.29Å; Y581-E583 HydrophobicContact CD1-CB 4.34Å; Y581-E583 HydrophobicContact CE1-CB 3.71Å; Y581-E583 HydrophobicContact CE2-CB 4.05Å; Y581-E583 HydrophobicContact CE2-CG 4.12Å; Y581-E583 VanDerWaalsContact CZ-OE2 3.28Å; Y581-E583 PolarHBondContact O-N 2.92Å; Y581-E583 PolarHBondContact OH-OE2 2.84Å; E583-R585 PolarHBondContact O-N 2.9Å
584	S	81.9	Confident	88.3	Confident	22 Å²	22	39.3 Å²	39.3	15%	0.154	18%	0.178	C	C	.	.			trans	-61.4	127.1	171.8	179.1	0	0	0	0	110.3	Y581 T582 I586 I587 R588	Y581-S584 WeakPolarHBondContact O-CB 3.48Å; Y581-S584 PolarHBondContact O-N 2.92Å; T582-S584 VanDerWaalsContact C-N 3.31Å; S584-I586 VanDerWaalsContact C-N 3.3Å; S584-I586 PolarHBondContact O-N 3.4Å; S584-I587 PolarHBondContact O-N 3.46Å; S584-R588 PolarHBondContact O-N 3.37Å; S584-R588 VanDerWaalsContact O-N 3.08Å
585	R	83.1	Confident	88.2	Confident	102 Å²	102	44.1 Å²	44.1	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-69.1	-30.3	-177.6	-64.7	-75.6	-174.8	171.5	3.4	112.5	L305 L373 E583 I587 R588 A589	L305-R585 HydrophobicContact CD1-CG 3.83Å; L305-R585 HydrophobicContact CD2-CB 4.48Å; L305-R585 HydrophobicContact CD2-CG 3.7Å; L305-R585 HydrophobicContact CG-CG 4.37Å; L373-R585 VanDerWaalsContact CD2-C 3.49Å; L373-R585 HydrophobicContact CD2-CB 3.68Å; E583-R585 PolarHBondContact O-N 2.9Å; R585-I587 VanDerWaalsContact C-N 3.28Å; R585-I587 PolarHBondContact O-N 2.93Å; R585-R588 PolarHBondContact O-N 2.99Å; R585-A589 WeakPolarHBondContact O-CB 3.5Å; R585-A589 PolarHBondContact O-N 3.23Å
586	I	87.1	Confident	88.1	Confident	49 Å²	49	49 Å²	49	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-46	173.3	-60.2	174.7	0	0	0	109.6	L373 T390 S584 R590	L373-I586 HydrophobicContact CD1-CG1 4.24Å; L373-I586 HydrophobicContact CD2-CB 4.5Å; L373-I586 HydrophobicContact CD2-CG1 3.93Å; T390-I586 HydrophobicContact CG2-CD1 4.38Å; S584-I586 VanDerWaalsContact C-N 3.3Å; S584-I586 PolarHBondContact O-N 3.4Å; I586-R590 WeakPolarHBondContact O-CB 3.38Å; I586-R590 PolarHBondContact O-N 3.22Å
587	I	88.7	Confident	87.9	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-42.8	179.1	-60.3	-60.1	0	0	0	111	I580 S584 R585 A589 R590 L591	I580-I587 HydrophobicContact CD1-CD1 4.2Å; I580-I587 HydrophobicContact CG2-CD1 3.88Å; I580-I587 HydrophobicContact CG2-CG1 3.73Å; S584-I587 PolarHBondContact O-N 3.46Å; R585-I587 VanDerWaalsContact C-N 3.28Å; R585-I587 PolarHBondContact O-N 2.93Å; I587-A589 PolarHBondContact O-N 3.46Å; I587-R590 PolarHBondContact O-N 2.86Å; I587-L591 HydrophobicContact CG2-CD1 3.91Å; I587-L591 HydrophobicContact CG2-CG 4.14Å; I587-L591 WeakPolarHBondContact O-CB 3.45Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.01Å
588	R	89.5	Confident	87.7	Confident	107 Å²	107	55.7 Å²	55.7	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-48	175.9	-71.9	-174	173.5	-171.8	-2.3	112.4	T582 S584 R585 R590 L591 E592	T582-R588 PolarHBondContact O-NE 3.49Å; S584-R588 PolarHBondContact O-N 3.37Å; S584-R588 VanDerWaalsContact O-N 3.08Å; R585-R588 PolarHBondContact O-N 2.99Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 3.01Å; R588-L591 PolarHBondContact O-N 2.93Å; R588-E592 WeakPolarHBondContact O-CG 3.41Å; R588-E592 PolarHBondContact O-N 3.4Å
589	A	89.8	Confident	87.6	Confident	8 Å²	8	62.5 Å²	62.5	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-36.7	177.3	0	0	0	0	0	112	M394 R585 I587 Y593	M394-A589 HydrophobicContact CE-CB 3.55Å; M394-A589 HydrophobicContact SD-CB 4.45Å; R585-A589 WeakPolarHBondContact O-CB 3.5Å; R585-A589 PolarHBondContact O-N 3.23Å; I587-A589 PolarHBondContact O-N 3.46Å; A589-Y593 WeakPolarHBondContact O-CB 3.33Å; A589-Y593 PolarHBondContact O-N 2.92Å
590	R	91.8	Very high	87.6	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-44.4	173.1	-174	175.6	176.7	-174.9	-3.8	112.1	D199 N200 I203 M394 I586 I587 R588 Y593 L594	D199-R590 IonicContact OD2-CZ 2.61Å; D199-R590 IonicContact OD2-NH1 3.65Å; D199-R590 IonicContact OD2-NH2 3.04Å; D199-R590 PolarHBondContact OD2-NH2 3.38Å; N200-R590 PolarHBondContact OD1-NH1 2.9Å; I203-R590 VanDerWaalsContact CD1-NH1 3.3Å; M394-R590 HydrophobicContact SD-CB 3.78Å; M394-R590 HydrophobicContact SD-CG 4.47Å; I586-R590 WeakPolarHBondContact O-CB 3.38Å; I586-R590 PolarHBondContact O-N 3.22Å; I587-R590 PolarHBondContact O-N 2.86Å; R588-R590 VanDerWaalsContact C-N 3.29Å; R588-R590 PolarHBondContact O-N 3.01Å; R590-Y593 PolarHBondContact O-N 2.97Å; R590-L594 HydrophobicContact CG-CD1 4.18Å; R590-L594 HydrophobicContact CG-CG 4.38Å; R590-L594 WeakPolarHBondContact O-CB 3.37Å; R590-L594 VanDerWaalsContact O-CG 3.29Å; R590-L594 WeakPolarHBondContact O-CG 3.44Å; R590-L594 PolarHBondContact O-N 3.25Å
591	L	92	Very high	88	Confident	9 Å²	9	68 Å²	68	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-43.2	178.1	-72	173.1	0	0	0	111.4	I587 R588 L594 R595 E602 F605 L606	I587-L591 HydrophobicContact CG2-CD1 3.91Å; I587-L591 HydrophobicContact CG2-CG 4.14Å; I587-L591 WeakPolarHBondContact O-CB 3.45Å; I587-L591 WeakPolarHBondContact O-CG 3.42Å; I587-L591 PolarHBondContact O-N 3.01Å; R588-L591 PolarHBondContact O-N 2.93Å; L591-L594 PolarHBondContact O-N 3.44Å; L591-R595 WeakPolarHBondContact O-CB 2.95Å; L591-R595 PolarHBondContact O-N 2.9Å; L591-E602 HydrophobicContact CB-CG 4.13Å; L591-E602 HydrophobicContact CD1-CB 4.48Å; L591-E602 HydrophobicContact CD2-CB 4.26Å; L591-F605 HydrophobicContact CD2-CB 4.08Å; L591-F605 HydrophobicContact CD2-CD1 3.57Å; L591-F605 HydrophobicContact CD2-CE1 4.44Å; L591-F605 HydrophobicContact CD2-CG 4.16Å; L591-L606 HydrophobicContact CD1-CD1 4.37Å; L591-L606 HydrophobicContact CD1-CD2 4.29Å; L591-L606 HydrophobicContact CD1-CG 4.34Å; L591-L606 HydrophobicContact CD2-CD2 4.45Å; L591-L606 HydrophobicContact CD2-CG 4.24Å
592	E	91.2	Very high	88.5	Confident	95 Å²	95	66.2 Å²	66.2	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-45.6	173.5	-72.7	171.3	-174.6	0	0	111.2	R588 L594 R595 D596	R588-E592 WeakPolarHBondContact O-CG 3.41Å; R588-E592 PolarHBondContact O-N 3.4Å; E592-L594 PolarHBondContact O-N 2.8Å; E592-R595 PolarHBondContact O-N 3.5Å; E592-D596 WeakPolarHBondContact O-CB 3.49Å; E592-D596 PolarHBondContact O-N 2.93Å
593	Y	91.7	Very high	89.2	Confident	32 Å²	32	69 Å²	69	13%	0.125	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-46.4	177.2	-174.2	-101.3	0	0	0	112.9	M394 D395 A589 R590 R595 D596 Q597 F598	M394-Y593 HydrophobicContact CB-CD1 3.81Å; M394-Y593 HydrophobicContact CB-CD2 4.41Å; M394-Y593 HydrophobicContact CB-CE1 4.44Å; M394-Y593 HydrophobicContact CB-CG 3.79Å; D395-Y593 HydrophobicContact CB-CE1 3.55Å; D395-Y593 PolarHBondContact OD2-OH 3.17Å; A589-Y593 WeakPolarHBondContact O-CB 3.33Å; A589-Y593 PolarHBondContact O-N 2.92Å; R590-Y593 PolarHBondContact O-N 2.97Å; Y593-R595 VanDerWaalsContact C-N 3.3Å; Y593-R595 PolarHBondContact O-N 3.27Å; Y593-D596 PolarHBondContact O-N 2.93Å; Y593-Q597 HydrophobicContact CD2-CG 3.94Å; Y593-Q597 HydrophobicContact CE1-CB 4.43Å; Y593-Q597 HydrophobicContact CE1-CG 4.23Å; Y593-Q597 HydrophobicContact CE2-CB 4.49Å; Y593-Q597 HydrophobicContact CE2-CG 3.47Å; Y593-Q597 VanDerWaalsContact CE2-CG 3.47Å; Y593-Q597 HydrophobicContact CG-CG 4.49Å; Y593-Q597 WeakPolarHBondContact O-CB 3.5Å; Y593-Q597 PolarHBondContact O-N 3.27Å; Y593-F598 HydrophobicContact CD1-CE2 4.4Å; Y593-F598 AromaticContact CE1-CE2 3.82Å; Y593-F598 HydrophobicContact CE1-CE2 3.82Å
594	L	92	Very high	90.1	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-36.4	179.2	-70.6	177.6	0	0	0	112.1	R590 L591 E592 F598 N599 I600 F605	R590-L594 HydrophobicContact CG-CD1 4.18Å; R590-L594 HydrophobicContact CG-CG 4.38Å; R590-L594 WeakPolarHBondContact O-CB 3.37Å; R590-L594 VanDerWaalsContact O-CG 3.29Å; R590-L594 WeakPolarHBondContact O-CG 3.44Å; R590-L594 PolarHBondContact O-N 3.25Å; L591-L594 PolarHBondContact O-N 3.44Å; E592-L594 PolarHBondContact O-N 2.8Å; L594-F598 HydrophobicContact CD2-CD2 3.82Å; L594-F598 HydrophobicContact CD2-CE2 4.3Å; L594-F598 CarbonylContact O-C 3.48Å; L594-F598 WeakPolarHBondContact O-CA 3.44Å; L594-F598 PolarHBondContact O-N 3.31Å; L594-F598 VanDerWaalsContact O-N 3.15Å; L594-N599 PolarHBondContact O-N 3.43Å; L594-I600 HydrophobicContact CB-CB 4.26Å; L594-I600 HydrophobicContact CD2-CD1 4.43Å; L594-I600 PolarHBondContact O-N 2.96Å; L594-I600 VanDerWaalsContact O-N 3.1Å; L594-F605 HydrophobicContact CD1-CB 4.35Å; L594-F605 HydrophobicContact CD1-CD1 4.21Å; L594-F605 HydrophobicContact CD1-CD2 3.42Å; L594-F605 VanDerWaalsContact CD1-CD2 3.42Å; L594-F605 HydrophobicContact CD1-CE1 4.42Å; L594-F605 HydrophobicContact CD1-CE2 3.69Å; L594-F605 HydrophobicContact CD1-CG 3.71Å; L594-F605 HydrophobicContact CD1-CZ 4.19Å
595	R	92.7	Very high	90.6	Very high	102 Å²	102	66.4 Å²	66.4	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-47.7	174.6	-176.1	-170.1	67.8	-153.2	-0.1	111.3	L591 E592 Y593 N599 I600 E602	L591-R595 WeakPolarHBondContact O-CB 2.95Å; L591-R595 PolarHBondContact O-N 2.9Å; E592-R595 PolarHBondContact O-N 3.5Å; Y593-R595 VanDerWaalsContact C-N 3.3Å; Y593-R595 PolarHBondContact O-N 3.27Å; R595-N599 VanDerWaalsContact O-CA 3.26Å; R595-N599 WeakPolarHBondContact O-CA 3.01Å; R595-N599 PolarHBondContact O-N 3.27Å; R595-I600 VanDerWaalsContact CA-O 3.27Å; R595-I600 WeakPolarHBondContact CA-O 2.94Å; R595-I600 PolarHBondContact N-O 3Å; R595-E602 IonicContact CZ-OE1 3.4Å; R595-E602 IonicContact NH1-OE1 3.17Å; R595-E602 PolarHBondContact NH1-OE1 3.44Å
596	D	91.7	Very high	91	Very high	104 Å²	104	62.4 Å²	62.4	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-80.2	-34	-170.2	-63.5	-6.5	0	0	0	113	E592 Y593	E592-D596 WeakPolarHBondContact O-CB 3.49Å; E592-D596 PolarHBondContact O-N 2.93Å; Y593-D596 PolarHBondContact O-N 2.93Å
597	Q	90.6	Very high	91.3	Very high	96 Å²	96	60.4 Å²	60.4	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-94.8	-40.4	-179.7	-64.8	-59.1	-76.3	0	0	113.9	Y593	Y593-Q597 HydrophobicContact CD2-CG 3.94Å; Y593-Q597 HydrophobicContact CE1-CB 4.43Å; Y593-Q597 HydrophobicContact CE1-CG 4.23Å; Y593-Q597 HydrophobicContact CE2-CB 4.49Å; Y593-Q597 HydrophobicContact CE2-CG 3.47Å; Y593-Q597 VanDerWaalsContact CE2-CG 3.47Å; Y593-Q597 HydrophobicContact CG-CG 4.49Å; Y593-Q597 WeakPolarHBondContact O-CB 3.5Å; Y593-Q597 PolarHBondContact O-N 3.27Å
598	F	89.7	Confident	91.5	Very high	45 Å²	45	59.4 Å²	59.4	20%	0.197	28%	0.275	C	S	.	.	H	α-helix	trans	-109.8	2	-173.1	-59.6	-72	0	0	0	113.5	K425 D428 Y593 L594 I600	K425-F598 WeakPolarHBondContact O-CD1 3.47Å; K425-F598 WeakPolarHBondContact O-CE1 2.93Å; D428-F598 HydrophobicContact CB-CE1 4.4Å; Y593-F598 HydrophobicContact CD1-CE2 4.4Å; Y593-F598 AromaticContact CE1-CE2 3.82Å; Y593-F598 HydrophobicContact CE1-CE2 3.82Å; L594-F598 HydrophobicContact CD2-CD2 3.82Å; L594-F598 HydrophobicContact CD2-CE2 4.3Å; L594-F598 CarbonylContact O-C 3.48Å; L594-F598 WeakPolarHBondContact O-CA 3.44Å; L594-F598 PolarHBondContact O-N 3.31Å; L594-F598 VanDerWaalsContact O-N 3.15Å; F598-I600 HydrophobicContact CB-CD1 3.85Å; F598-I600 HydrophobicContact CB-CG1 3.94Å; F598-I600 PolarHBondContact O-N 3.33Å
599	N	91.1	Very high	91.6	Very high	144 Å²	144	54.3 Å²	54.3	77%	0.77	26%	0.256	S	S	*	.			trans	54.9	31.7	-177.2	-163	25.6	0	0	0	113.4	L594 R595	L594-N599 PolarHBondContact O-N 3.43Å; R595-N599 VanDerWaalsContact O-CA 3.26Å; R595-N599 WeakPolarHBondContact O-CA 3.01Å; R595-N599 PolarHBondContact O-N 3.27Å
600	I	91.1	Very high	91.8	Very high	12 Å²	12	54 Å²	54	6%	0.062	25%	0.253	C	S	.	.			trans	-90.4	121	177.9	-64.2	173.4	0	0	0	108.4	M422 K425 M426 L594 R595 F598 F605	M422-I600 HydrophobicContact CE-CD1 3.92Å; M422-I600 HydrophobicContact CE-CG2 3.58Å; M422-I600 HydrophobicContact SD-CD1 4.13Å; M422-I600 HydrophobicContact SD-CG2 4.38Å; K425-I600 HydrophobicContact CB-CD1 4.3Å; M426-I600 HydrophobicContact CG-CD1 4.04Å; L594-I600 HydrophobicContact CB-CB 4.26Å; L594-I600 HydrophobicContact CD2-CD1 4.43Å; L594-I600 PolarHBondContact O-N 2.96Å; L594-I600 VanDerWaalsContact O-N 3.1Å; R595-I600 VanDerWaalsContact CA-O 3.27Å; R595-I600 WeakPolarHBondContact CA-O 2.94Å; R595-I600 PolarHBondContact N-O 3Å; F598-I600 HydrophobicContact CB-CD1 3.85Å; F598-I600 HydrophobicContact CB-CG1 3.94Å; F598-I600 PolarHBondContact O-N 3.33Å; I600-F605 HydrophobicContact CG2-CB 4.07Å
601	R	92.4	Very high	91.8	Very high	187 Å²	187	53.3 Å²	53.3	71%	0.706	25%	0.251	S	S	*	.			trans	-67.2	144.4	177.8	-61.8	176.9	177.2	177.2	-0.8	110.9	N603 D604 F605	R601-N603 VanDerWaalsContact C-N 3.34Å; R601-N603 PolarHBondContact O-N 2.67Å; R601-D604 HydrophobicContact CB-CB 4.27Å; R601-D604 WeakPolarHBondContact O-CB 3.23Å; R601-D604 PolarHBondContact O-N 3.43Å; R601-F605 PolarHBondContact O-N 2.57Å
602	E	91.5	Very high	91.8	Very high	77 Å²	77	53 Å²	53	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-45.9	-176.8	-56	-179.8	-169.9	0	0	112.3	L591 R595 D604 F605 L606	L591-E602 HydrophobicContact CB-CG 4.13Å; L591-E602 HydrophobicContact CD1-CB 4.48Å; L591-E602 HydrophobicContact CD2-CB 4.26Å; R595-E602 IonicContact CZ-OE1 3.4Å; R595-E602 IonicContact NH1-OE1 3.17Å; R595-E602 PolarHBondContact NH1-OE1 3.44Å; E602-D604 VanDerWaalsContact C-N 3.26Å; E602-D604 PolarHBondContact O-N 3.09Å; E602-F605 PolarHBondContact O-N 3.11Å; E602-L606 WeakPolarHBondContact O-CG 3.49Å; E602-L606 PolarHBondContact O-N 3.23Å
603	N	90.5	Very high	91.8	Very high	124 Å²	124	48.6 Å²	48.6	66%	0.663	23%	0.228	S	C	*	.	H	α-helix	trans	-63	-31.4	177.3	-76	-31.4	0	0	0	113.1	R601 T607	R601-N603 VanDerWaalsContact C-N 3.34Å; R601-N603 PolarHBondContact O-N 2.67Å; N603-T607 VanDerWaalsContact O-CB 3.29Å; N603-T607 WeakPolarHBondContact O-CB 3.31Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 3.33Å
604	D	91.9	Very high	91.9	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-71.9	-43.8	-179.1	-79	-40.3	0	0	0	111.5	R601 E602 T607 F608 K646	R601-D604 HydrophobicContact CB-CB 4.27Å; R601-D604 WeakPolarHBondContact O-CB 3.23Å; R601-D604 PolarHBondContact O-N 3.43Å; E602-D604 VanDerWaalsContact C-N 3.26Å; E602-D604 PolarHBondContact O-N 3.09Å; D604-T607 PolarHBondContact O-N 3.15Å; D604-F608 VanDerWaalsContact O-CB 3.23Å; D604-F608 WeakPolarHBondContact O-CB 3.42Å; D604-F608 PolarHBondContact O-N 3.01Å; D604-K646 PolarHBondContact O-NZ 3.22Å; D604-K646 VanDerWaalsContact O-NZ 3.07Å; D604-K646 IonicContact OD1-NZ 3.25Å; D604-K646 PolarHBondContact OD1-NZ 3.35Å; D604-K646 VanDerWaalsContact OD1-NZ 3.13Å
605	F	92.1	Very high	91.8	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-47.7	173.9	-179.6	-95.3	0	0	0	111.8	M422 M426 L591 L594 I600 R601 E602 T607 F608 D609	M422-F605 HydrophobicContact CE-CB 4.11Å; M422-F605 HydrophobicContact CE-CD2 3.63Å; M422-F605 HydrophobicContact CE-CG 4.36Å; M426-F605 HydrophobicContact SD-CD2 4.17Å; M426-F605 HydrophobicContact SD-CE2 3.87Å; L591-F605 HydrophobicContact CD2-CB 4.08Å; L591-F605 HydrophobicContact CD2-CD1 3.57Å; L591-F605 HydrophobicContact CD2-CE1 4.44Å; L591-F605 HydrophobicContact CD2-CG 4.16Å; L594-F605 HydrophobicContact CD1-CB 4.35Å; L594-F605 HydrophobicContact CD1-CD1 4.21Å; L594-F605 HydrophobicContact CD1-CD2 3.42Å; L594-F605 VanDerWaalsContact CD1-CD2 3.42Å; L594-F605 HydrophobicContact CD1-CE1 4.42Å; L594-F605 HydrophobicContact CD1-CE2 3.69Å; L594-F605 HydrophobicContact CD1-CG 3.71Å; L594-F605 HydrophobicContact CD1-CZ 4.19Å; I600-F605 HydrophobicContact CG2-CB 4.07Å; R601-F605 PolarHBondContact O-N 2.57Å; E602-F605 PolarHBondContact O-N 3.11Å; F605-T607 VanDerWaalsContact C-N 3.26Å; F605-T607 PolarHBondContact O-N 3.18Å; F605-F608 HydrophobicContact CD2-CD1 4.38Å; F605-F608 WeakPolarHBondContact O-CB 3.45Å; F605-F608 PolarHBondContact O-N 3.15Å; F605-D609 WeakPolarHBondContact O-CB 3.28Å; F605-D609 PolarHBondContact O-N 2.92Å
606	L	92.4	Very high	91.6	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-39.8	179.1	-72.3	175.3	0	0	0	112.2	Y579 T582 L591 E602 A610	Y579-L606 HydrophobicContact CD1-CB 4.25Å; Y579-L606 HydrophobicContact CE1-CB 4.09Å; Y579-L606 WeakPolarHBondContact CE1-O 3.26Å; T582-L606 HydrophobicContact CG2-CD1 3.89Å; T582-L606 HydrophobicContact CG2-CD2 3.95Å; L591-L606 HydrophobicContact CD1-CD1 4.37Å; L591-L606 HydrophobicContact CD1-CD2 4.29Å; L591-L606 HydrophobicContact CD1-CG 4.34Å; L591-L606 HydrophobicContact CD2-CD2 4.45Å; L591-L606 HydrophobicContact CD2-CG 4.24Å; E602-L606 WeakPolarHBondContact O-CG 3.49Å; E602-L606 PolarHBondContact O-N 3.23Å; L606-A610 VanDerWaalsContact O-CB 3.29Å; L606-A610 WeakPolarHBondContact O-CB 3.49Å; L606-A610 PolarHBondContact O-N 3.39Å; L606-A610 VanDerWaalsContact O-N 3.13Å
607	T	92.7	Very high	91.5	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-40.8	178.3	-54.4	0	0	0	0	111.2	N603 D604 F605 A610 M611 D642 K643 K646	N603-T607 VanDerWaalsContact O-CB 3.29Å; N603-T607 WeakPolarHBondContact O-CB 3.31Å; N603-T607 PolarHBondContact O-N 3.22Å; N603-T607 PolarHBondContact O-OG1 3.33Å; D604-T607 PolarHBondContact O-N 3.15Å; F605-T607 VanDerWaalsContact C-N 3.26Å; F605-T607 PolarHBondContact O-N 3.18Å; T607-A610 PolarHBondContact O-N 3.3Å; T607-M611 HydrophobicContact CG2-CG 4.26Å; T607-M611 WeakPolarHBondContact O-CB 3.21Å; T607-M611 VanDerWaalsContact O-CG 3.26Å; T607-M611 WeakPolarHBondContact O-CG 3.41Å; T607-M611 PolarHBondContact O-N 3.43Å; T607-D642 WeakPolarHBondContact CG2-O 3.46Å; T607-K643 HydrophobicContact CG2-CB 4.45Å; T607-K643 HydrophobicContact CG2-CG 3.45Å; T607-K643 VanDerWaalsContact CG2-CG 3.45Å; T607-K646 HydrophobicContact CG2-CD 3.97Å
608	F	92.5	Very high	91.3	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-55.9	-54.2	174.2	162.2	-111.1	0	0	0	111.4	S418 P419 M422 Y423 M426 D604 F605 A610 M611 R612	S418-F608 WeakPolarHBondContact O-CD2 3.37Å; S418-F608 WeakPolarHBondContact O-CE2 3.39Å; P419-F608 VanDerWaalsContact CD-CD2 3.42Å; M422-F608 HydrophobicContact CB-CD2 4.28Å; M422-F608 HydrophobicContact CB-CE2 4.01Å; M422-F608 HydrophobicContact CB-CZ 4.15Å; M422-F608 HydrophobicContact CE-CB 4.47Å; M422-F608 HydrophobicContact CE-CD1 3.98Å; M422-F608 HydrophobicContact CE-CG 4.35Å; M422-F608 HydrophobicContact CG-CD1 3.8Å; M422-F608 HydrophobicContact CG-CD2 4.11Å; M422-F608 HydrophobicContact CG-CE1 3.78Å; M422-F608 HydrophobicContact CG-CE2 4.05Å; M422-F608 HydrophobicContact CG-CG 3.94Å; M422-F608 HydrophobicContact CG-CZ 3.88Å; Y423-F608 HydrophobicContact CE1-CZ 4.36Å; Y423-F608 HydrophobicContact CE2-CE2 4.04Å; Y423-F608 AromaticContact CE2-CZ 3.94Å; Y423-F608 HydrophobicContact CE2-CZ 3.94Å; Y423-F608 AromaticContact CZ-CZ 3.79Å; M426-F608 HydrophobicContact CE-CE1 3.57Å; M426-F608 HydrophobicContact CE-CZ 3.85Å; M426-F608 HydrophobicContact SD-CE1 3.98Å; D604-F608 VanDerWaalsContact O-CB 3.23Å; D604-F608 WeakPolarHBondContact O-CB 3.42Å; D604-F608 PolarHBondContact O-N 3.01Å; F605-F608 HydrophobicContact CD2-CD1 4.38Å; F605-F608 WeakPolarHBondContact O-CB 3.45Å; F605-F608 PolarHBondContact O-N 3.15Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 3.31Å; F608-M611 PolarHBondContact O-N 3Å; F608-R612 VanDerWaalsContact O-CB 3.31Å; F608-R612 WeakPolarHBondContact O-CB 3.43Å; F608-R612 PolarHBondContact O-N 3.21Å
609	D	92.4	Very high	90.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-38.5	-177.6	174	80.3	0	0	0	112	R557 I580 F605 R612 Q613	R557-D609 IonicContact CZ-OD2 3.76Å; R557-D609 VanDerWaalsContact CZ-OD2 3.25Å; R557-D609 IonicContact NH1-OD1 3.77Å; R557-D609 IonicContact NH1-OD2 3.85Å; R557-D609 PolarHBondContact NH1-OD2 3.11Å; R557-D609 IonicContact NH2-OD2 3.67Å; R557-D609 PolarHBondContact NH2-OD2 3.5Å; I580-D609 HydrophobicContact CD1-CB 4.32Å; I580-D609 WeakPolarHBondContact CD1-OD2 3.31Å; I580-D609 WeakPolarHBondContact CG1-OD2 3.34Å; F605-D609 WeakPolarHBondContact O-CB 3.28Å; F605-D609 PolarHBondContact O-N 2.92Å; D609-R612 IonicContact OD1-CZ 3.74Å; D609-R612 IonicContact OD1-NE 2.95Å; D609-R612 IonicContact OD1-NH2 2.94Å; D609-R612 PolarHBondContact OD1-NH2 3.18Å; D609-Q613 PolarHBondContact O-N 3.48Å
610	A	93.1	Very high	90.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-41.3	174.8	0	0	0	0	0	112.9	V577 P578 Y579 L606 T607 F608 A614	V577-A610 HydrophobicContact CG1-CB 3.76Å; P578-A610 WeakPolarHBondContact CG-O 3.39Å; Y579-A610 HydrophobicContact CD1-CB 3.9Å; Y579-A610 HydrophobicContact CE1-CB 4.03Å; Y579-A610 HydrophobicContact CG-CB 4.28Å; L606-A610 VanDerWaalsContact O-CB 3.29Å; L606-A610 WeakPolarHBondContact O-CB 3.49Å; L606-A610 PolarHBondContact O-N 3.39Å; L606-A610 VanDerWaalsContact O-N 3.13Å; T607-A610 PolarHBondContact O-N 3.3Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 3.31Å; A610-A614 WeakPolarHBondContact O-CB 3.34Å; A610-A614 PolarHBondContact O-N 3.14Å
611	M	93.5	Very high	89.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.5	-37.2	178.1	-68.2	-54.8	95.6	0	0	111.7	V577 T607 F608 Q613 A614 A615 Y638 K643 K646 L647	V577-M611 HydrophobicContact CG1-CE 3.53Å; T607-M611 HydrophobicContact CG2-CG 4.26Å; T607-M611 WeakPolarHBondContact O-CB 3.21Å; T607-M611 VanDerWaalsContact O-CG 3.26Å; T607-M611 WeakPolarHBondContact O-CG 3.41Å; T607-M611 PolarHBondContact O-N 3.43Å; F608-M611 PolarHBondContact O-N 3Å; M611-Q613 PolarHBondContact O-N 3.25Å; M611-A614 PolarHBondContact O-N 2.88Å; M611-A615 WeakPolarHBondContact O-CB 3.46Å; M611-A615 PolarHBondContact O-N 3.12Å; M611-Y638 HydrophobicContact CE-CD1 4.13Å; M611-Y638 HydrophobicContact CE-CE1 3.45Å; M611-Y638 VanDerWaalsContact CE-CE1 3.45Å; M611-Y638 HydrophobicContact SD-CD1 3.92Å; M611-Y638 HydrophobicContact SD-CE1 3.59Å; M611-Y638 VanDerWaalsContact SD-CE1 3.59Å; M611-K643 HydrophobicContact CE-CB 4.45Å; M611-K643 HydrophobicContact CE-CG 4.22Å; M611-K643 HydrophobicContact CG-CB 4.41Å; M611-K643 HydrophobicContact SD-CB 3.81Å; M611-K643 HydrophobicContact SD-CG 4.15Å; M611-K646 HydrophobicContact CB-CB 4.04Å; M611-K646 HydrophobicContact CG-CB 3.94Å; M611-L647 HydrophobicContact SD-CD2 4.17Å
612	R	91.8	Very high	89	Confident	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-54.8	-50.9	170.8	176	177.9	70.8	175.9	-1	111.2	H196 N197 D199 N200 F608 D609 A615 Q616	H196-R612 HydrophobicContact CB-CG 4.18Å; H196-R612 WeakPolarHBondContact O-CD 3.31Å; H196-R612 PolarHBondContact O-NH1 3.45Å; N197-R612 PolarHBondContact OD1-NE 2.99Å; D199-R612 IonicContact OD1-CZ 2.68Å; D199-R612 IonicContact OD1-NH1 3.11Å; D199-R612 PolarHBondContact OD1-NH1 3.12Å; D199-R612 IonicContact OD1-NH2 3.27Å; D199-R612 IonicContact OD2-CZ 3.23Å; D199-R612 IonicContact OD2-NH1 3.59Å; D199-R612 PolarHBondContact OD2-NH1 3.43Å; D199-R612 IonicContact OD2-NH2 3.84Å; N200-R612 PolarHBondContact ND2-NH2 3.34Å; F608-R612 VanDerWaalsContact O-CB 3.31Å; F608-R612 WeakPolarHBondContact O-CB 3.43Å; F608-R612 PolarHBondContact O-N 3.21Å; D609-R612 IonicContact OD1-CZ 3.74Å; D609-R612 IonicContact OD1-NE 2.95Å; D609-R612 IonicContact OD1-NH2 2.94Å; D609-R612 PolarHBondContact OD1-NH2 3.18Å; R612-A615 PolarHBondContact O-N 3.08Å; R612-Q616 WeakPolarHBondContact O-CB 3.45Å; R612-Q616 PolarHBondContact O-N 3.41Å
613	Q	91.4	Very high	88.4	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.019	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-42.1	179.8	-166.9	61.9	51.8	0	0	112.1	A556 R557 P578 D609 M611 Q616 C617	A556-Q613 HydrophobicContact CB-CG 4.23Å; A556-Q613 VanDerWaalsContact O-CD 3.29Å; A556-Q613 WeakPolarHBondContact O-CG 3.4Å; A556-Q613 PolarHBondContact O-NE2 3.14Å; R557-Q613 HydrophobicContact CG-CG 3.89Å; P578-Q613 HydrophobicContact CB-CG 4.43Å; P578-Q613 HydrophobicContact CG-CB 4.07Å; P578-Q613 HydrophobicContact CG-CG 4.34Å; D609-Q613 PolarHBondContact O-N 3.48Å; M611-Q613 PolarHBondContact O-N 3.25Å; Q613-Q616 PolarHBondContact O-N 3.39Å; Q613-C617 PolarHBondContact O-N 3.42Å; Q613-C617 VanDerWaalsContact O-N 3.08Å; Q613-C617 PolarHBondContact O-SG 3.32Å
614	A	92.6	Very high	87.8	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-45.5	177.3	0	0	0	0	0	111.6	M574 P578 A610 M611 Q616 C617 V618 Y638	M574-A614 HydrophobicContact CE-CB 4.16Å; P578-A614 HydrophobicContact CG-CB 4.07Å; A610-A614 WeakPolarHBondContact O-CB 3.34Å; A610-A614 PolarHBondContact O-N 3.14Å; M611-A614 PolarHBondContact O-N 2.88Å; A614-Q616 VanDerWaalsContact C-N 3.32Å; A614-Q616 PolarHBondContact O-N 3.29Å; A614-C617 PolarHBondContact O-N 2.89Å; A614-V618 WeakPolarHBondContact O-CB 3.36Å; A614-V618 VanDerWaalsContact O-CG2 3.31Å; A614-V618 WeakPolarHBondContact O-CG2 3.38Å; A614-V618 PolarHBondContact O-N 3.46Å; A614-Y638 HydrophobicContact CB-CE1 4.3Å; A614-Y638 WeakPolarHBondContact CB-OH 3.43Å
615	A	90.6	Very high	87.1	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-63.6	-37.1	176.9	0	0	0	0	0	112	T416 M611 R612 G619 P648	T416-A615 HydrophobicContact CG2-CB 4.25Å; T416-A615 WeakPolarHBondContact CG2-O 3.4Å; M611-A615 WeakPolarHBondContact O-CB 3.46Å; M611-A615 PolarHBondContact O-N 3.12Å; R612-A615 PolarHBondContact O-N 3.08Å; A615-G619 WeakPolarHBondContact O-CA 3.41Å; A615-G619 PolarHBondContact O-N 3.06Å; A615-P648 HydrophobicContact CB-CG 3.81Å
616	Q	88.6	Confident	86.5	Confident	8 Å²	8	15.6 Å²	15.6	4%	0.037	8%	0.082	C	C	.	.	H	α-helix	trans	-61.7	-47.2	174.3	-169.8	-167.8	5.2	0	0	111.7	H196 S561 R612 Q613 A614 R620	H196-Q616 PolarHBondContact CE1-NE2 3.37Å; H196-Q616 VanDerWaalsContact CE1-NE2 3.3Å; H196-Q616 PolarHBondContact NE2-NE2 2.93Å; H196-Q616 PolarHBondContact NE2-OE1 3.14Å; S561-Q616 PolarHBondContact O-NE2 3.25Å; R612-Q616 WeakPolarHBondContact O-CB 3.45Å; R612-Q616 PolarHBondContact O-N 3.41Å; Q613-Q616 PolarHBondContact O-N 3.39Å; A614-Q616 VanDerWaalsContact C-N 3.32Å; A614-Q616 PolarHBondContact O-N 3.29Å; Q616-R620 WeakPolarHBondContact O-CG 3.32Å
617	C	89	Confident	86.2	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-44.9	-180	-63.3	0	0	0	0	111.3	F494 A556 M574 Q613 A614	F494-C617 HydrophobicContact CD1-CB 4.27Å; F494-C617 HydrophobicContact CD2-CB 3.65Å; F494-C617 HydrophobicContact CE1-CB 4.31Å; F494-C617 HydrophobicContact CE2-CB 3.67Å; F494-C617 HydrophobicContact CG-CB 3.95Å; F494-C617 HydrophobicContact CZ-CB 4.01Å; A556-C617 PolarHBondContact O-SG 2.94Å; A556-C617 VanDerWaalsContact O-SG 3.41Å; M574-C617 HydrophobicContact CE-CB 4.19Å; M574-C617 HydrophobicContact SD-CB 3.51Å; M574-C617 VanDerWaalsContact SD-CB 3.51Å; Q613-C617 PolarHBondContact O-N 3.42Å; Q613-C617 VanDerWaalsContact O-N 3.08Å; Q613-C617 PolarHBondContact O-SG 3.32Å; A614-C617 PolarHBondContact O-N 2.89Å
618	V	86.9	Confident	85.9	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.4	-39.3	-178.7	172.4	0	0	0	0	112.1	V572 M574 A614 R620 S621 M631 F633 I651	V572-V618 HydrophobicContact CG1-CG2 4.12Å; M574-V618 HydrophobicContact CG-CG2 3.36Å; M574-V618 HydrophobicContact SD-CG2 3.94Å; A614-V618 WeakPolarHBondContact O-CB 3.36Å; A614-V618 VanDerWaalsContact O-CG2 3.31Å; A614-V618 WeakPolarHBondContact O-CG2 3.38Å; A614-V618 PolarHBondContact O-N 3.46Å; V618-R620 PolarHBondContact O-N 3.31Å; V618-R620 VanDerWaalsContact O-N 3.08Å; V618-S621 PolarHBondContact O-N 2.9Å; V618-S621 VanDerWaalsContact O-N 3.13Å; V618-S621 PolarHBondContact O-OG 3.27Å; V618-M631 HydrophobicContact CG1-CB 3.65Å; V618-M631 HydrophobicContact CG1-CE 3.88Å; V618-M631 HydrophobicContact CG1-CG 3.44Å; V618-M631 VanDerWaalsContact CG1-CG 3.44Å; V618-M631 HydrophobicContact CG1-SD 3.27Å; V618-M631 WeakPolarHBondContact CG1-SD 3.48Å; V618-F633 HydrophobicContact CB-CZ 4.35Å; V618-F633 HydrophobicContact CG1-CZ 4.08Å; V618-F633 HydrophobicContact CG2-CE1 3.8Å; V618-F633 HydrophobicContact CG2-CZ 3.91Å; V618-I651 HydrophobicContact CG1-CD1 4.28Å
619	G	81.7	Confident	85.8	Confident	2 Å²	2	20 Å²	20	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-12.2	-177.8	0	0	0	0	0	114.8	S3 A615 S621	S3-G619 WeakPolarHBondContact CB-O 3.17Å; A615-G619 WeakPolarHBondContact O-CA 3.41Å; A615-G619 PolarHBondContact O-N 3.06Å; G619-S621 VanDerWaalsContact C-N 3.28Å; G619-S621 PolarHBondContact O-N 3.11Å
620	R	76.9	Confident	85.8	Confident	27 Å²	27	20 Å²	20	10%	0.102	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.2	174.5	-70.7	178.6	-173.8	-94.4	-14	114	S561 E562 V564 F566 Q616 V618 L622	S561-R620 PolarHBondContact O-NE 3.04Å; S561-R620 PolarHBondContact O-NH2 3.41Å; E562-R620 VanDerWaalsContact CA-NH2 3.27Å; E562-R620 PolarHBondContact O-NH2 2.87Å; V564-R620 PolarHBondContact O-NH1 2.88Å; F566-R620 HydrophobicContact CD2-CB 4.22Å; Q616-R620 WeakPolarHBondContact O-CG 3.32Å; V618-R620 PolarHBondContact O-N 3.31Å; V618-R620 VanDerWaalsContact O-N 3.08Å; R620-L622 VanDerWaalsContact C-N 3.26Å; R620-L622 PolarHBondContact O-N 2.98Å
621	S	77	Confident	85.8	Confident	5 Å²	5	20 Å²	20	4%	0.035	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.6	-179	78.3	0	0	0	0	114.1	V618 G619 M631	V618-S621 PolarHBondContact O-N 2.9Å; V618-S621 VanDerWaalsContact O-N 3.13Å; V618-S621 PolarHBondContact O-OG 3.27Å; G619-S621 VanDerWaalsContact C-N 3.28Å; G619-S621 PolarHBondContact O-N 3.11Å; S621-M631 WeakPolarHBondContact OG-CE 3.41Å
622	L	79.5	Confident	85.8	Confident	10 Å²	10	20 Å²	20	5%	0.052	10%	0.101	C	C	.	.			trans	-117.4	116.3	-178.3	-66.6	170.4	0	0	0	110.1	L446 R620 M631 W650	L446-L622 HydrophobicContact CB-CD1 4.03Å; L446-L622 HydrophobicContact CD2-CD1 3.81Å; R620-L622 VanDerWaalsContact C-N 3.26Å; R620-L622 PolarHBondContact O-N 2.98Å; L622-M631 HydrophobicContact CD1-CE 3.69Å; L622-M631 HydrophobicContact CG-CE 3.96Å; L622-W650 HydrophobicContact CD1-CE3 4.42Å; L622-W650 HydrophobicContact CD1-CH2 4.13Å; L622-W650 HydrophobicContact CD1-CZ3 3.59Å
623	R	78.4	Confident	86	Confident	95 Å²	95	20 Å²	20	36%	0.358	10%	0.101	S	C	.	.	S	Bend	trans	-111.3	-28.3	174.6	-58.5	175.9	167.6	-171.1	-1.2	113.2	G4 D565 F566 S567 D627	G4-R623 WeakPolarHBondContact CA-O 3.46Å; D565-R623 VanDerWaalsContact CB-NH2 3.29Å; D565-R623 PolarHBondContact O-NH2 3.34Å; F566-R623 VanDerWaalsContact C-CZ 3.41Å; F566-R623 PolarHBondContact O-NE 2.89Å; F566-R623 PolarHBondContact O-NH2 3.18Å; S567-R623 VanDerWaalsContact CA-NH1 3.3Å; S567-R623 VanDerWaalsContact CA-NH2 3.32Å; S567-R623 VanDerWaalsContact CB-CZ 3.41Å; S567-R623 VanDerWaalsContact N-CZ 3.3Å; S567-R623 VanDerWaalsContact OG-CZ 3.28Å; S567-R623 PolarHBondContact OG-NH1 3.26Å; S567-R623 PolarHBondContact OG-NH2 2.99Å; R623-D627 WeakPolarHBondContact CA-OD2 3.49Å; R623-D627 VanDerWaalsContact CB-OD2 3.28Å; R623-D627 WeakPolarHBondContact CB-OD2 3.22Å; R623-D627 PolarHBondContact N-OD2 3.46Å; R623-D627 VanDerWaalsContact N-OD2 3.12Å
624	S	79.2	Confident	86.2	Confident	43 Å²	43	19.8 Å²	19.8	30%	0.301	10%	0.1	S	C	.	.	S	Bend	trans	-132.7	162.5	174.8	88.6	0	0	0	0	110.7	A626 D627	S624-A626 PolarHBondContact O-N 3.43Å; S624-A626 PolarHBondContact OG-N 3.34Å; S624-D627 PolarHBondContact N-OD2 3.4Å; S624-D627 PolarHBondContact O-N 3.27Å; S624-D627 PolarHBondContact OG-N 2.97Å; S624-D627 PolarHBondContact OG-OD1 3Å
625	K	77.3	Confident	86.3	Confident	60 Å²	60	19.8 Å²	19.8	26%	0.261	10%	0.1	S	C	.	.	S	Bend	trans	-68.5	-15.5	170.7	-61.8	-170.8	-172.2	179.3	0	113	L441 C445 S691	L441-K625 HydrophobicContact CD2-CB 4.37Å; L441-K625 HydrophobicContact CD2-CG 4.35Å; C445-K625 PolarHBondContact SG-O 3.07Å; K625-S691 PolarHBondContact NZ-O 2.88Å
626	A	79.6	Confident	86.5	Confident	47 Å²	47	25.1 Å²	25.1	39%	0.388	12%	0.123	S	C	.	.	S	Bend	trans	-85.2	-23.6	175.6	0	0	0	0	0	112.2	S624	S624-A626 PolarHBondContact O-N 3.43Å; S624-A626 PolarHBondContact OG-N 3.34Å
627	D	84.6	Confident	86.7	Confident	57 Å²	57	26.1 Å²	26.1	31%	0.305	13%	0.127	S	C	.	.			trans	-68.6	155.8	175.9	-56.2	-7.7	0	0	0	109.9	C445 R623 S624	C445-D627 VanDerWaalsContact CB-O 3.29Å; C445-D627 WeakPolarHBondContact CB-O 3.46Å; R623-D627 WeakPolarHBondContact CA-OD2 3.49Å; R623-D627 VanDerWaalsContact CB-OD2 3.28Å; R623-D627 WeakPolarHBondContact CB-OD2 3.22Å; R623-D627 PolarHBondContact N-OD2 3.46Å; R623-D627 VanDerWaalsContact N-OD2 3.12Å; S624-D627 PolarHBondContact N-OD2 3.4Å; S624-D627 PolarHBondContact O-N 3.27Å; S624-D627 PolarHBondContact OG-N 2.97Å; S624-D627 PolarHBondContact OG-OD1 3Å
628	Y	87.7	Confident	86.9	Confident	61 Å²	61	26.1 Å²	26.1	24%	0.239	13%	0.127	C	C	.	.			trans	-132.5	141.4	171.7	58.3	-88.4	0	0	0	110.6	C445 L570 W674 L675 M678	C445-Y628 CarbonylContact O-C 3.52Å; C445-Y628 WeakPolarHBondContact O-CA 3.38Å; C445-Y628 WeakPolarHBondContact O-CB 3.48Å; L570-Y628 HydrophobicContact CD1-CE2 4.48Å; L570-Y628 HydrophobicContact CD2-CD2 4.2Å; L570-Y628 HydrophobicContact CD2-CE2 3.56Å; Y628-W674 AromaticContact CD2-CH2 3.8Å; Y628-W674 HydrophobicContact CD2-CH2 3.8Å; Y628-W674 HydrophobicContact CD2-CZ3 4.01Å; Y628-W674 HydrophobicContact CG-CH2 4.27Å; Y628-L675 HydrophobicContact CE2-CD2 4.19Å; Y628-M678 HydrophobicContact CD1-CB 4.22Å; Y628-M678 HydrophobicContact CD2-CB 3.82Å; Y628-M678 HydrophobicContact CD2-CG 4.33Å; Y628-M678 HydrophobicContact CE2-CB 4.16Å; Y628-M678 HydrophobicContact CG-CB 3.86Å; Y628-M678 HydrophobicContact CG-CG 4.27Å
629	G	89	Confident	87.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.2	-178.2	0	0	0	0	0	112.8	C445 L446 L447 W674	C445-G629 PolarHBondContact O-N 3.48Å; L446-G629 WeakPolarHBondContact CA-O 3.47Å; L447-G629 PolarHBondContact N-O 2.97Å; G629-W674 VanDerWaalsContact C-CH2 3.49Å; G629-W674 WeakPolarHBondContact O-CH2 3.49Å
630	L	92.3	Very high	87.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.5	170.3	179.9	67.6	0	0	0	109.4	L447 L449 I487 L570 A571 V572 I632 S671 W674	L447-L630 HydrophobicContact CB-CD1 4Å; L447-L630 HydrophobicContact CD2-CD1 3.77Å; L447-L630 HydrophobicContact CG-CD1 3.98Å; L449-L630 HydrophobicContact CD1-CD1 3.92Å; L449-L630 HydrophobicContact CG-CD1 4.3Å; I487-L630 HydrophobicContact CD1-CD2 3.74Å; I487-L630 HydrophobicContact CG1-CD2 4.04Å; L570-L630 PolarHBondContact O-N 2.95Å; A571-L630 CarbonylContact C-O 3.52Å; A571-L630 VanDerWaalsContact CA-O 3.25Å; A571-L630 WeakPolarHBondContact CA-O 3.39Å; A571-L630 HydrophobicContact CB-CB 3.91Å; A571-L630 HydrophobicContact CB-CD2 4.14Å; A571-L630 HydrophobicContact CB-CG 4.36Å; V572-L630 PolarHBondContact N-O 3.02Å; L630-I632 HydrophobicContact CD1-CG1 4.49Å; L630-I632 HydrophobicContact CD2-CD1 3.81Å; L630-I632 HydrophobicContact CD2-CG1 4.31Å; L630-I632 HydrophobicContact CG-CD1 4.08Å; L630-I632 HydrophobicContact CG-CG1 4.04Å; L630-S671 WeakPolarHBondContact CD2-OG 3.42Å; L630-W674 HydrophobicContact CB-CZ3 4.01Å
631	M	93.3	Very high	88.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	108.3	-175.2	-57.1	174.2	169.6	0	0	109.1	L446 L447 P448 L449 V618 S621 L622 W650	L446-M631 HydrophobicContact CB-CE 4.39Å; L447-M631 PolarHBondContact O-N 2.85Å; P448-M631 CarbonylContact C-O 3.5Å; P448-M631 VanDerWaalsContact CA-O 3.29Å; P448-M631 WeakPolarHBondContact CA-O 3.3Å; P448-M631 HydrophobicContact CB-CB 4.46Å; L449-M631 PolarHBondContact N-O 2.95Å; V618-M631 HydrophobicContact CG1-CB 3.65Å; V618-M631 HydrophobicContact CG1-CE 3.88Å; V618-M631 HydrophobicContact CG1-CG 3.44Å; V618-M631 VanDerWaalsContact CG1-CG 3.44Å; V618-M631 HydrophobicContact CG1-SD 3.27Å; V618-M631 WeakPolarHBondContact CG1-SD 3.48Å; S621-M631 WeakPolarHBondContact OG-CE 3.41Å; L622-M631 HydrophobicContact CD1-CE 3.69Å; L622-M631 HydrophobicContact CG-CE 3.96Å; M631-W650 HydrophobicContact CE-CH2 3.88Å; M631-W650 HydrophobicContact CE-CZ3 3.88Å; M631-W650 HydrophobicContact SD-CZ3 4.43Å
632	I	94.8	Very high	88.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.2	-175.5	-60.8	162.3	0	0	0	109.3	V451 L479 M483 V572 I573 M574 L630	V451-I632 HydrophobicContact CB-CG2 4.41Å; V451-I632 HydrophobicContact CG2-CG2 3.68Å; L479-I632 HydrophobicContact CD2-CG2 4.48Å; M483-I632 HydrophobicContact CE-CD1 3.3Å; M483-I632 HydrophobicContact CE-CG1 4.24Å; M483-I632 HydrophobicContact CG-CD1 4.09Å; M483-I632 HydrophobicContact SD-CD1 3.69Å; V572-I632 PolarHBondContact O-N 3.01Å; I573-I632 CarbonylContact C-O 3.6Å; I573-I632 WeakPolarHBondContact CA-O 3.1Å; I573-I632 HydrophobicContact CB-CB 4.5Å; I573-I632 HydrophobicContact CD1-CD1 4.2Å; I573-I632 HydrophobicContact CG1-CB 4.26Å; I573-I632 HydrophobicContact CG1-CD1 4Å; I573-I632 HydrophobicContact CG2-CB 4.26Å; I573-I632 HydrophobicContact CG2-CG2 4.2Å; M574-I632 PolarHBondContact N-O 3.05Å; L630-I632 HydrophobicContact CD1-CG1 4.49Å; L630-I632 HydrophobicContact CD2-CD1 3.81Å; L630-I632 HydrophobicContact CD2-CG1 4.31Å; L630-I632 HydrophobicContact CG-CD1 4.08Å; L630-I632 HydrophobicContact CG-CG1 4.04Å
633	F	95.9	Very high	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	98.5	171.5	-63	-82.3	0	0	0	109	P448 L449 I450 V451 M574 V618 D635 Y638 L647 I651	P448-F633 HydrophobicContact CB-CE2 4.26Å; L449-F633 PolarHBondContact O-N 2.73Å; I450-F633 WeakPolarHBondContact CA-O 3.39Å; I450-F633 HydrophobicContact CG1-CB 4.15Å; I450-F633 HydrophobicContact CG1-CD2 4.46Å; V451-F633 PolarHBondContact N-O 3.39Å; M574-F633 HydrophobicContact CB-CD1 4.21Å; M574-F633 HydrophobicContact CG-CD1 4.2Å; M574-F633 HydrophobicContact CG-CE1 4.3Å; V618-F633 HydrophobicContact CB-CZ 4.35Å; V618-F633 HydrophobicContact CG1-CZ 4.08Å; V618-F633 HydrophobicContact CG2-CE1 3.8Å; V618-F633 HydrophobicContact CG2-CZ 3.91Å; F633-D635 PolarHBondContact O-N 2.76Å; F633-Y638 HydrophobicContact CB-CD1 4.34Å; F633-Y638 HydrophobicContact CB-CD2 3.69Å; F633-Y638 HydrophobicContact CB-CE2 4.12Å; F633-Y638 HydrophobicContact CB-CG 3.83Å; F633-Y638 AromaticContact CD1-CD1 3.91Å; F633-Y638 HydrophobicContact CD1-CD1 3.91Å; F633-Y638 HydrophobicContact CD1-CD2 4.31Å; F633-Y638 AromaticContact CD1-CE1 3.65Å; F633-Y638 HydrophobicContact CD1-CE1 3.65Å; F633-Y638 HydrophobicContact CD1-CE2 4.1Å; F633-Y638 HydrophobicContact CD1-CG 4.24Å; F633-Y638 AromaticContact CD1-CZ 3.77Å; F633-Y638 HydrophobicContact CE1-CE1 4.18Å; F633-Y638 HydrophobicContact CG-CD1 4.32Å; F633-Y638 HydrophobicContact CG-CD2 4.43Å; F633-Y638 HydrophobicContact CG-CE1 4.48Å; F633-Y638 HydrophobicContact CG-CG 4.3Å; F633-L647 HydrophobicContact CE1-CD2 4.31Å; F633-L647 HydrophobicContact CE2-CD1 4.47Å; F633-L647 HydrophobicContact CZ-CD1 4.24Å; F633-L647 HydrophobicContact CZ-CD2 4.34Å; F633-I651 HydrophobicContact CE2-CG2 4.43Å
634	A	95.6	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	72.9	-177	0	0	0	0	0	110.7	V451 Y476 L479 I573 M574 M575 G576	V451-A634 CarbonylContact O-C 3.52Å; Y476-A634 HydrophobicContact CD1-CB 4.39Å; Y476-A634 HydrophobicContact CE1-CB 3.9Å; Y476-A634 WeakPolarHBondContact CE1-O 3.35Å; Y476-A634 PolarHBondContact OH-O 3.2Å; L479-A634 HydrophobicContact CD2-CB 3.51Å; I573-A634 HydrophobicContact CG2-CB 4.4Å; M574-A634 WeakPolarHBondContact O-CB 3.29Å; M574-A634 PolarHBondContact O-N 2.94Å; M575-A634 HydrophobicContact SD-CB 4.2Å; G576-A634 PolarHBondContact N-O 2.9Å; G576-A634 VanDerWaalsContact N-O 3.09Å
635	D	94.5	Very high	90.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-165.8	132.1	169.2	-161.6	-64.7	0	0	0	109.6	V451 I460 T462 G576 V577 F633 R637 Y638	V451-D635 PolarHBondContact O-N 2.77Å; V451-D635 VanDerWaalsContact O-N 3.13Å; I460-D635 CarbonylContact O-C 3.58Å; I460-D635 WeakPolarHBondContact O-CA 3.36Å; T462-D635 PolarHBondContact N-OD2 3.38Å; T462-D635 PolarHBondContact OG1-OD2 3.23Å; G576-D635 WeakPolarHBondContact CA-OD2 3.44Å; V577-D635 HydrophobicContact CG2-CB 4.17Å; F633-D635 PolarHBondContact O-N 2.76Å; D635-R637 PolarHBondContact O-N 3.49Å; D635-R637 WeakPolarHBondContact OD1-CB 3.04Å; D635-R637 VanDerWaalsContact OD1-CG 3.25Å; D635-R637 WeakPolarHBondContact OD1-CG 3.06Å; D635-R637 IonicContact OD1-CZ 2.66Å; D635-R637 PolarHBondContact OD1-N 3.29Å; D635-R637 IonicContact OD1-NE 3.41Å; D635-R637 PolarHBondContact OD1-NE 2.97Å; D635-R637 IonicContact OD1-NH2 3.6Å; D635-R637 IonicContact OD2-CZ 3.36Å; D635-R637 IonicContact OD2-NE 2.69Å; D635-R637 PolarHBondContact OD2-NE 3.46Å; D635-R637 IonicContact OD2-NH2 3.74Å; D635-R637 PolarHBondContact OD2-NH2 3.48Å; D635-Y638 HydrophobicContact CB-CD2 3.68Å; D635-Y638 HydrophobicContact CB-CE2 3.94Å; D635-Y638 PolarHBondContact O-N 2.89Å; D635-Y638 VanDerWaalsContact O-N 3.12Å
636	K	93.8	Very high	90.9	Very high	113 Å²	113	38 Å²	38	49%	0.491	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-54.5	-28.2	175.6	-179.7	175.4	177.1	177.6	0	112.9	A459 I460 Y638 S639	A459-K636 HydrophobicContact CB-CD 3.82Å; I460-K636 PolarHBondContact O-N 3.46Å; K636-Y638 VanDerWaalsContact C-N 3.27Å; K636-Y638 PolarHBondContact O-N 3.02Å; K636-S639 WeakPolarHBondContact O-CB 3.48Å; K636-S639 PolarHBondContact O-N 2.93Å
637	R	92.9	Very high	91.4	Very high	28 Å²	28	35.8 Å²	35.8	11%	0.106	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.9	-28.5	-178.4	-67.7	175.8	-69.7	176.4	2.7	112.7	T462 V577 D635 S639 R640 K643	T462-R637 PolarHBondContact OG1-NH2 3.15Å; V577-R637 HydrophobicContact CG2-CB 4.05Å; D635-R637 PolarHBondContact O-N 3.49Å; D635-R637 WeakPolarHBondContact OD1-CB 3.04Å; D635-R637 VanDerWaalsContact OD1-CG 3.25Å; D635-R637 WeakPolarHBondContact OD1-CG 3.06Å; D635-R637 IonicContact OD1-CZ 2.66Å; D635-R637 PolarHBondContact OD1-N 3.29Å; D635-R637 IonicContact OD1-NE 3.41Å; D635-R637 PolarHBondContact OD1-NE 2.97Å; D635-R637 IonicContact OD1-NH2 3.6Å; D635-R637 IonicContact OD2-CZ 3.36Å; D635-R637 IonicContact OD2-NE 2.69Å; D635-R637 PolarHBondContact OD2-NE 3.46Å; D635-R637 IonicContact OD2-NH2 3.74Å; D635-R637 PolarHBondContact OD2-NH2 3.48Å; R637-S639 PolarHBondContact O-N 3.34Å; R637-R640 WeakPolarHBondContact O-CB 3.49Å; R637-R640 PolarHBondContact O-N 3.32Å; R637-R640 VanDerWaalsContact O-N 3.12Å; R637-K643 HydrophobicContact CB-CD 3.91Å; R637-K643 WeakPolarHBondContact O-CD 3.29Å
638	Y	93.3	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.6	-23.8	176.7	-75.2	-75.4	0	0	0	113	G576 V577 P578 M611 A614 F633 D635 K636 R640	G576-Y638 PolarHBondContact O-OH 3.44Å; V577-Y638 HydrophobicContact CG2-CD2 4.09Å; V577-Y638 HydrophobicContact CG2-CE2 3.66Å; P578-Y638 WeakPolarHBondContact CD-OH 3.37Å; M611-Y638 HydrophobicContact CE-CD1 4.13Å; M611-Y638 HydrophobicContact CE-CE1 3.45Å; M611-Y638 VanDerWaalsContact CE-CE1 3.45Å; M611-Y638 HydrophobicContact SD-CD1 3.92Å; M611-Y638 HydrophobicContact SD-CE1 3.59Å; M611-Y638 VanDerWaalsContact SD-CE1 3.59Å; A614-Y638 HydrophobicContact CB-CE1 4.3Å; A614-Y638 WeakPolarHBondContact CB-OH 3.43Å; F633-Y638 HydrophobicContact CB-CD1 4.34Å; F633-Y638 HydrophobicContact CB-CD2 3.69Å; F633-Y638 HydrophobicContact CB-CE2 4.12Å; F633-Y638 HydrophobicContact CB-CG 3.83Å; F633-Y638 AromaticContact CD1-CD1 3.91Å; F633-Y638 HydrophobicContact CD1-CD1 3.91Å; F633-Y638 HydrophobicContact CD1-CD2 4.31Å; F633-Y638 AromaticContact CD1-CE1 3.65Å; F633-Y638 HydrophobicContact CD1-CE1 3.65Å; F633-Y638 HydrophobicContact CD1-CE2 4.1Å; F633-Y638 HydrophobicContact CD1-CG 4.24Å; F633-Y638 AromaticContact CD1-CZ 3.77Å; F633-Y638 HydrophobicContact CE1-CE1 4.18Å; F633-Y638 HydrophobicContact CG-CD1 4.32Å; F633-Y638 HydrophobicContact CG-CD2 4.43Å; F633-Y638 HydrophobicContact CG-CE1 4.48Å; F633-Y638 HydrophobicContact CG-CG 4.3Å; D635-Y638 HydrophobicContact CB-CD2 3.68Å; D635-Y638 HydrophobicContact CB-CE2 3.94Å; D635-Y638 PolarHBondContact O-N 2.89Å; D635-Y638 VanDerWaalsContact O-N 3.12Å; K636-Y638 VanDerWaalsContact C-N 3.27Å; K636-Y638 PolarHBondContact O-N 3.02Å; Y638-R640 PolarHBondContact O-N 3.46Å
639	S	91.1	Very high	91.6	Very high	28 Å²	28	34.9 Å²	34.9	20%	0.196	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-69.8	-13.9	175.9	-57.3	0	0	0	0	113.6	I450 K636 R637	I450-S639 WeakPolarHBondContact CG2-OG 3.48Å; K636-S639 WeakPolarHBondContact O-CB 3.48Å; K636-S639 PolarHBondContact O-N 2.93Å; R637-S639 PolarHBondContact O-N 3.34Å
640	R	91.7	Very high	91.5	Very high	144 Å²	144	35.3 Å²	35.3	54%	0.543	16%	0.16	S	C	.	.	S	Bend	trans	-80.1	138.1	178.8	-62.1	171.4	47.2	151.5	0.5	110.9	R637 Y638 D642 K643 R644	R637-R640 WeakPolarHBondContact O-CB 3.49Å; R637-R640 PolarHBondContact O-N 3.32Å; R637-R640 VanDerWaalsContact O-N 3.12Å; Y638-R640 PolarHBondContact O-N 3.46Å; R640-D642 VanDerWaalsContact C-N 3.26Å; R640-D642 WeakPolarHBondContact CB-OD1 3.32Å; R640-D642 IonicContact CZ-OD1 3.4Å; R640-D642 IonicContact NE-OD1 2.68Å; R640-D642 PolarHBondContact NE-OD1 3.45Å; R640-D642 IonicContact NE-OD2 2.69Å; R640-D642 IonicContact NH2-OD1 3.85Å; R640-D642 PolarHBondContact NH2-OD1 2.91Å; R640-D642 IonicContact NH2-OD2 2.73Å; R640-D642 PolarHBondContact O-N 3.17Å; R640-K643 PolarHBondContact O-N 3.03Å; R640-R644 PolarHBondContact O-N 2.91Å
641	N	89.2	Confident	91.4	Very high	91 Å²	91	35.3 Å²	35.3	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-54.2	-39.8	-178.8	-63.3	-8.2	0	0	0	112.7	K643 R644 D645	N641-K643 PolarHBondContact O-N 3.46Å; N641-R644 PolarHBondContact O-N 2.69Å; N641-R644 PolarHBondContact OD1-NH2 2.79Å; N641-D645 VanDerWaalsContact O-CB 3.28Å; N641-D645 WeakPolarHBondContact O-CB 3.43Å; N641-D645 PolarHBondContact O-N 2.88Å
642	D	89	Confident	91.2	Very high	54 Å²	54	38 Å²	38	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-21.3	-179.6	64.6	-75.7	0	0	0	114.8	T607 R640 K646	T607-D642 WeakPolarHBondContact CG2-O 3.46Å; R640-D642 VanDerWaalsContact C-N 3.26Å; R640-D642 WeakPolarHBondContact CB-OD1 3.32Å; R640-D642 IonicContact CZ-OD1 3.4Å; R640-D642 IonicContact NE-OD1 2.68Å; R640-D642 PolarHBondContact NE-OD1 3.45Å; R640-D642 IonicContact NE-OD2 2.69Å; R640-D642 IonicContact NH2-OD1 3.85Å; R640-D642 PolarHBondContact NH2-OD1 2.91Å; R640-D642 IonicContact NH2-OD2 2.73Å; R640-D642 PolarHBondContact O-N 3.17Å; D642-K646 WeakPolarHBondContact O-CD 3.24Å; D642-K646 WeakPolarHBondContact O-CE 3.4Å
643	K	90.8	Very high	90.8	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-104.7	-47.2	177.4	-76.9	163.1	-174.7	71.7	0	111.6	Y579 T607 M611 R637 R640 N641 D645 K646 L647	Y579-K643 WeakPolarHBondContact OH-CE 3.38Å; Y579-K643 PolarHBondContact OH-NZ 3.31Å; T607-K643 HydrophobicContact CG2-CB 4.45Å; T607-K643 HydrophobicContact CG2-CG 3.45Å; T607-K643 VanDerWaalsContact CG2-CG 3.45Å; M611-K643 HydrophobicContact CE-CB 4.45Å; M611-K643 HydrophobicContact CE-CG 4.22Å; M611-K643 HydrophobicContact CG-CB 4.41Å; M611-K643 HydrophobicContact SD-CB 3.81Å; M611-K643 HydrophobicContact SD-CG 4.15Å; R637-K643 HydrophobicContact CB-CD 3.91Å; R637-K643 WeakPolarHBondContact O-CD 3.29Å; R640-K643 PolarHBondContact O-N 3.03Å; N641-K643 PolarHBondContact O-N 3.46Å; K643-D645 VanDerWaalsContact C-N 3.26Å; K643-D645 PolarHBondContact O-N 3.34Å; K643-K646 PolarHBondContact O-N 3.46Å; K643-K646 VanDerWaalsContact O-N 3.09Å; K643-L647 PolarHBondContact O-N 3.11Å
644	R	89.7	Confident	90.4	Very high	53 Å²	53	44.1 Å²	44.1	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-43	-178.8	-171.4	177.1	64.4	-178.6	-0.8	111.5	R640 N641 K646 L647 Q652 L655	R640-R644 PolarHBondContact O-N 2.91Å; N641-R644 PolarHBondContact O-N 2.69Å; N641-R644 PolarHBondContact OD1-NH2 2.79Å; R644-K646 PolarHBondContact O-N 2.66Å; R644-L647 WeakPolarHBondContact O-CB 3.46Å; R644-L647 PolarHBondContact O-N 3.26Å; R644-Q652 PolarHBondContact O-NE2 3.4Å; R644-L655 HydrophobicContact CG-CD2 3.63Å
645	D	89.4	Confident	90.1	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.7	-176.1	-55.2	-10.1	0	0	0	112.2	N641 K643 Q652	N641-D645 VanDerWaalsContact O-CB 3.28Å; N641-D645 WeakPolarHBondContact O-CB 3.43Å; N641-D645 PolarHBondContact O-N 2.88Å; K643-D645 VanDerWaalsContact C-N 3.26Å; K643-D645 PolarHBondContact O-N 3.34Å; D645-Q652 PolarHBondContact O-NE2 3.36Å
646	K	90.8	Very high	89.7	Confident	28 Å²	28	51 Å²	51	12%	0.122	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.4	174.3	-65	-174.5	-174	-179.1	0	113.2	S418 D604 T607 M611 D642 K643 R644	S418-K646 VanDerWaalsContact CB-O 3.29Å; S418-K646 WeakPolarHBondContact CB-O 3.31Å; S418-K646 PolarHBondContact OG-O 2.74Å; D604-K646 PolarHBondContact O-NZ 3.22Å; D604-K646 VanDerWaalsContact O-NZ 3.07Å; D604-K646 IonicContact OD1-NZ 3.25Å; D604-K646 PolarHBondContact OD1-NZ 3.35Å; D604-K646 VanDerWaalsContact OD1-NZ 3.13Å; T607-K646 HydrophobicContact CG2-CD 3.97Å; M611-K646 HydrophobicContact CB-CB 4.04Å; M611-K646 HydrophobicContact CG-CB 3.94Å; D642-K646 WeakPolarHBondContact O-CD 3.24Å; D642-K646 WeakPolarHBondContact O-CE 3.4Å; K643-K646 PolarHBondContact O-N 3.46Å; K643-K646 VanDerWaalsContact O-N 3.09Å; R644-K646 PolarHBondContact O-N 2.66Å
647	L	90.3	Very high	89.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.245	C	C	.	.	S	Bend	trans	-69.1	161.3	168	-66.7	174.8	0	0	0	109.9	S418 M611 F633 K643 R644 I651 Q652	S418-L647 PolarHBondContact OG-O 2.93Å; M611-L647 HydrophobicContact SD-CD2 4.17Å; F633-L647 HydrophobicContact CE1-CD2 4.31Å; F633-L647 HydrophobicContact CE2-CD1 4.47Å; F633-L647 HydrophobicContact CZ-CD1 4.24Å; F633-L647 HydrophobicContact CZ-CD2 4.34Å; K643-L647 PolarHBondContact O-N 3.11Å; R644-L647 WeakPolarHBondContact O-CB 3.46Å; R644-L647 PolarHBondContact O-N 3.26Å; L647-I651 HydrophobicContact CD1-CG2 4.49Å; L647-Q652 HydrophobicContact CB-CG 4.1Å; L647-Q652 PolarHBondContact O-NE2 2.83Å
648	P	88.8	Confident	89	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.032	27%	0.269	C	S	.	.			trans	-63	142.4	173.2	-25.4	35.3	0	0	0	112.4	A615 W650 I651 Q652	A615-P648 HydrophobicContact CB-CG 3.81Å; P648-W650 VanDerWaalsContact CB-CD1 3.47Å; P648-W650 HydrophobicContact CB-CG 4.3Å; P648-W650 VanDerWaalsContact CB-NE1 3.29Å; P648-W650 PolarHBondContact O-N 3.42Å; P648-W650 VanDerWaalsContact O-N 3.15Å; P648-I651 HydrophobicContact CG-CD1 4.44Å; P648-I651 PolarHBondContact O-N 3.43Å; P648-Q652 PolarHBondContact O-N 3.12Å; P648-Q652 VanDerWaalsContact O-N 3.13Å
649	R	87.3	Confident	88.8	Confident	94 Å²	94	53.8 Å²	53.8	36%	0.355	27%	0.272	S	S	.	.	H	α-helix	trans	-50.6	-41.9	-179	-171.2	174.9	-179	178.2	1.9	112.6	I651 Q652 D653 D713	R649-I651 PolarHBondContact O-N 3.43Å; R649-Q652 PolarHBondContact O-N 3.31Å; R649-D653 PolarHBondContact O-N 3.05Å; R649-D713 PolarHBondContact NH1-O 3.1Å
650	W	87	Confident	88.6	Confident	8 Å²	8	54 Å²	54	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-25.6	179.2	68.6	-97.2	0	0	0	114.6	P2 G415 M439 L446 L622 M631 P648 H654	P2-W650 HydrophobicContact CB-CB 4.34Å; P2-W650 HydrophobicContact CB-CD2 4.31Å; P2-W650 HydrophobicContact CB-CG 3.93Å; P2-W650 HydrophobicContact CG-CB 3.98Å; P2-W650 HydrophobicContact CG-CG 3.98Å; G415-W650 PolarHBondContact O-NE1 2.84Å; M439-W650 HydrophobicContact CB-CB 4Å; L446-W650 HydrophobicContact CD2-CE3 3.87Å; L446-W650 HydrophobicContact CD2-CZ3 3.98Å; L622-W650 HydrophobicContact CD1-CE3 4.42Å; L622-W650 HydrophobicContact CD1-CH2 4.13Å; L622-W650 HydrophobicContact CD1-CZ3 3.59Å; M631-W650 HydrophobicContact CE-CH2 3.88Å; M631-W650 HydrophobicContact CE-CZ3 3.88Å; M631-W650 HydrophobicContact SD-CZ3 4.43Å; P648-W650 VanDerWaalsContact CB-CD1 3.47Å; P648-W650 HydrophobicContact CB-CG 4.3Å; P648-W650 VanDerWaalsContact CB-NE1 3.29Å; P648-W650 PolarHBondContact O-N 3.42Å; P648-W650 VanDerWaalsContact O-N 3.15Å; W650-H654 PolarHBondContact O-ND1 3.36Å
651	I	89.4	Confident	88.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-81.5	-44.8	170.7	-59.8	-176.2	0	0	0	109.8	P448 V618 F633 L647 P648 R649 D653 H654 L655	P448-I651 HydrophobicContact CB-CG2 3.92Å; P448-I651 HydrophobicContact CG-CG2 4.24Å; V618-I651 HydrophobicContact CG1-CD1 4.28Å; F633-I651 HydrophobicContact CE2-CG2 4.43Å; L647-I651 HydrophobicContact CD1-CG2 4.49Å; P648-I651 HydrophobicContact CG-CD1 4.44Å; P648-I651 PolarHBondContact O-N 3.43Å; R649-I651 PolarHBondContact O-N 3.43Å; I651-D653 VanDerWaalsContact C-N 3.32Å; I651-D653 PolarHBondContact O-N 3.34Å; I651-H654 PolarHBondContact O-N 3.47Å; I651-L655 PolarHBondContact O-N 3.2Å
652	Q	89.2	Confident	88.8	Confident	57 Å²	57	46.8 Å²	46.8	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-41.9	-178.6	-63.9	-175.4	27	0	0	112.3	R644 D645 L647 P648 R649 H654 L655	R644-Q652 PolarHBondContact O-NE2 3.4Å; D645-Q652 PolarHBondContact O-NE2 3.36Å; L647-Q652 HydrophobicContact CB-CG 4.1Å; L647-Q652 PolarHBondContact O-NE2 2.83Å; P648-Q652 PolarHBondContact O-N 3.12Å; P648-Q652 VanDerWaalsContact O-N 3.13Å; R649-Q652 PolarHBondContact O-N 3.31Å; Q652-H654 PolarHBondContact O-N 3.27Å; Q652-L655 PolarHBondContact O-N 2.97Å
653	D	86.8	Confident	89.1	Confident	88 Å²	88	44.6 Å²	44.6	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	179.9	-66.3	-21.2	0	0	0	112.4	S438 R649 I651	S438-D653 WeakPolarHBondContact CB-OD2 3.21Å; R649-D653 PolarHBondContact O-N 3.05Å; I651-D653 VanDerWaalsContact C-N 3.32Å; I651-D653 PolarHBondContact O-N 3.34Å
654	H	88.3	Confident	89.3	Confident	40 Å²	40	44.2 Å²	44.2	19%	0.185	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.1	-179.9	-63.2	86.3	0	0	0	113.4	L446 P448 W650 I651 Q652 Q656	L446-H654 HydrophobicContact CD1-CB 3.24Å; L446-H654 HydrophobicContact CG-CB 4.18Å; P448-H654 HydrophobicContact CG-CB 4.09Å; W650-H654 PolarHBondContact O-ND1 3.36Å; I651-H654 PolarHBondContact O-N 3.47Å; Q652-H654 PolarHBondContact O-N 3.27Å; H654-Q656 VanDerWaalsContact C-N 3.33Å; H654-Q656 PolarHBondContact O-N 3.3Å
655	L	89.2	Confident	89.5	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.068	25%	0.248	C	C	.	.			trans	-83.5	80.6	175.5	-175.6	67.2	0	0	0	109.5	P448 I450 R644 I651 Q652	P448-L655 HydrophobicContact CB-CD1 4.1Å; P448-L655 HydrophobicContact CG-CB 3.97Å; P448-L655 HydrophobicContact CG-CD1 4.22Å; P448-L655 WeakPolarHBondContact O-CD1 3.3Å; I450-L655 HydrophobicContact CD1-CD1 4.06Å; I450-L655 HydrophobicContact CD1-CD2 3.68Å; I450-L655 HydrophobicContact CD1-CG 4.42Å; I450-L655 HydrophobicContact CG1-CD1 4.1Å; I450-L655 HydrophobicContact CG1-CD2 4.49Å; R644-L655 HydrophobicContact CG-CD2 3.63Å; I651-L655 PolarHBondContact O-N 3.2Å; Q652-L655 PolarHBondContact O-N 2.97Å
656	Q	86.7	Confident	89.8	Confident	133 Å²	133	46.4 Å²	46.4	62%	0.621	24%	0.243	S	C	*	.			trans	-60.7	146.6	176.3	-61.5	-178.7	-2.6	0	0	110.8	H654 G658 N659	H654-Q656 VanDerWaalsContact C-N 3.33Å; H654-Q656 PolarHBondContact O-N 3.3Å; Q656-G658 PolarHBondContact O-N 2.96Å; Q656-G658 VanDerWaalsContact O-N 3.14Å; Q656-N659 WeakPolarHBondContact O-CA 3.45Å; Q656-N659 WeakPolarHBondContact O-CB 3.41Å; Q656-N659 PolarHBondContact O-N 3.32Å
657	N	84.6	Confident	90	Very high	127 Å²	127	45.1 Å²	45.1	68%	0.679	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-55.3	-35.4	178.6	-71.7	-31.4	0	0	0	112.6	N659 S660	N657-N659 PolarHBondContact O-N 3.37Å; N657-S660 WeakPolarHBondContact O-CB 3.49Å; N657-S660 PolarHBondContact O-N 3.37Å; N657-S660 PolarHBondContact O-OG 2.91Å
658	G	87.1	Confident	90.2	Very high	58 Å²	58	46 Å²	46	60%	0.598	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68	-18.6	175.7	0	0	0	0	0	114.7	Q656 S660 L662	Q656-G658 PolarHBondContact O-N 2.96Å; Q656-G658 VanDerWaalsContact O-N 3.14Å; G658-S660 VanDerWaalsContact C-N 3.31Å; G658-L662 WeakPolarHBondContact O-CD2 3.37Å
659	N	89	Confident	90.5	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.07	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-92.6	4.3	176.2	-63.9	-12.6	0	0	0	112.4	L447 L449 I450 Q656 N657	L447-N659 WeakPolarHBondContact CD1-ND2 3.35Å; L449-N659 HydrophobicContact CD2-CB 3.83Å; I450-N659 PolarHBondContact N-O 3.38Å; Q656-N659 WeakPolarHBondContact O-CA 3.45Å; Q656-N659 WeakPolarHBondContact O-CB 3.41Å; Q656-N659 PolarHBondContact O-N 3.32Å; N657-N659 PolarHBondContact O-N 3.37Å
660	S	86.7	Confident	90.8	Very high	32 Å²	32	49.3 Å²	49.3	22%	0.224	26%	0.263	C	S	.	.	S	Bend	trans	-95	144.7	173.8	75.2	0	0	0	0	110.4	N657 G658 L662	N657-S660 WeakPolarHBondContact O-CB 3.49Å; N657-S660 PolarHBondContact O-N 3.37Å; N657-S660 PolarHBondContact O-OG 2.91Å; G658-S660 VanDerWaalsContact C-N 3.31Å; S660-L662 PolarHBondContact O-N 2.97Å
661	N	90.7	Very high	91.2	Very high	76 Å²	76	49 Å²	49	41%	0.406	26%	0.262	S	S	.	.	S	Bend	trans	61.9	41	174.9	-159.5	67.8	0	0	0	115.5	I450 S452	I450-N661 PolarHBondContact O-N 3.09Å; S452-N661 WeakPolarHBondContact CB-OD1 3.13Å; S452-N661 WeakPolarHBondContact OG-CA 3.02Å; S452-N661 VanDerWaalsContact OG-CG 3.27Å; S452-N661 PolarHBondContact OG-O 3.44Å; S452-N661 PolarHBondContact OG-OD1 2.88Å
662	L	93.9	Very high	91.4	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	153.4	-178.8	-62.3	171.2	0	0	0	113	L449 I450 S452 K453 G658 S660 E666 A667 L670	L449-L662 HydrophobicContact CB-CD1 4.04Å; L449-L662 HydrophobicContact CD1-CD1 4.48Å; L449-L662 HydrophobicContact CD2-CD1 3.85Å; L449-L662 HydrophobicContact CG-CD1 4.34Å; I450-L662 PolarHBondContact O-N 2.78Å; S452-L662 PolarHBondContact N-O 2.88Å; S452-L662 PolarHBondContact OG-O 3.16Å; K453-L662 PolarHBondContact N-O 2.98Å; G658-L662 WeakPolarHBondContact O-CD2 3.37Å; S660-L662 PolarHBondContact O-N 2.97Å; L662-E666 WeakPolarHBondContact CA-OE2 3.42Å; L662-E666 HydrophobicContact CB-CB 4.4Å; L662-E666 HydrophobicContact CD2-CB 4.12Å; L662-A667 HydrophobicContact CB-CB 4.41Å; L662-A667 HydrophobicContact CD1-CB 4.29Å; L662-L670 HydrophobicContact CD1-CD1 3.7Å; L662-L670 HydrophobicContact CD2-CD1 3.91Å; L662-L670 HydrophobicContact CG-CD1 4.49Å
663	S	95	Very high	91.6	Very high	7 Å²	7	61 Å²	61	5%	0.049	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	168.1	159	74.2	0	0	0	0	111.8	K453 E666 A667	K453-S663 WeakPolarHBondContact O-CA 3.44Å; S663-E666 PolarHBondContact N-OE2 2.83Å; S663-E666 WeakPolarHBondContact OG-CB 3.34Å; S663-E666 VanDerWaalsContact OG-CD 3.3Å; S663-E666 WeakPolarHBondContact OG-CG 3.39Å; S663-E666 PolarHBondContact OG-N 3.22Å; S663-E666 VanDerWaalsContact OG-N 3.12Å; S663-E666 PolarHBondContact OG-OE2 3.27Å; S663-A667 WeakPolarHBondContact O-CB 3.36Å; S663-A667 PolarHBondContact O-N 2.85Å
664	I	95	Very high	92	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-49.5	175.4	-60.2	169.9	0	0	0	109.8	V451 K453 N455 I460 N475 T478 L479 E482 E666 A667 V668	V451-I664 HydrophobicContact CG1-CG1 4.04Å; K453-I664 PolarHBondContact O-N 2.95Å; N455-I664 WeakPolarHBondContact OD1-CB 3.33Å; I460-I664 HydrophobicContact CD1-CD1 4.11Å; I460-I664 HydrophobicContact CD1-CG1 4.11Å; N475-I664 HydrophobicContact CB-CD1 4.3Å; N475-I664 VanDerWaalsContact O-CD1 3.3Å; N475-I664 WeakPolarHBondContact O-CD1 3.36Å; T478-I664 HydrophobicContact CG2-CD1 4.32Å; L479-I664 HydrophobicContact CB-CD1 4.06Å; L479-I664 HydrophobicContact CB-CG1 4.17Å; L479-I664 HydrophobicContact CB-CG2 4.22Å; L479-I664 HydrophobicContact CD1-CG1 4.33Å; L479-I664 HydrophobicContact CD1-CG2 3.93Å; E482-I664 WeakPolarHBondContact OE2-CG2 3.45Å; I664-E666 PolarHBondContact O-N 3.37Å; I664-A667 PolarHBondContact O-N 3.44Å; I664-V668 HydrophobicContact CG2-CG2 4.33Å; I664-V668 VanDerWaalsContact O-CG2 3.25Å; I664-V668 WeakPolarHBondContact O-CG2 3.2Å; I664-V668 PolarHBondContact O-N 2.89Å
665	E	94.6	Very high	92.2	Very high	109 Å²	109	56.4 Å²	56.4	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-44.8	179.9	-171.2	-178.7	174.6	0	0	112.6	N455 A667 V668 Q669	N455-E665 PolarHBondContact OD1-N 3.27Å; E665-A667 VanDerWaalsContact C-N 3.32Å; E665-A667 PolarHBondContact O-N 2.83Å; E665-V668 PolarHBondContact O-N 2.93Å; E665-Q669 WeakPolarHBondContact O-CG 3.15Å; E665-Q669 PolarHBondContact O-N 3.25Å; E665-Q669 PolarHBondContact OE1-NE2 2.63Å
666	E	94.6	Very high	92.3	Very high	77 Å²	77	62.3 Å²	62.3	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-44.3	176.7	-72.9	163.7	-176.3	0	0	111	L662 S663 I664 V668 Q669 L670	L662-E666 WeakPolarHBondContact CA-OE2 3.42Å; L662-E666 HydrophobicContact CB-CB 4.4Å; L662-E666 HydrophobicContact CD2-CB 4.12Å; S663-E666 PolarHBondContact N-OE2 2.83Å; S663-E666 WeakPolarHBondContact OG-CB 3.34Å; S663-E666 VanDerWaalsContact OG-CD 3.3Å; S663-E666 WeakPolarHBondContact OG-CG 3.39Å; S663-E666 PolarHBondContact OG-N 3.22Å; S663-E666 VanDerWaalsContact OG-N 3.12Å; S663-E666 PolarHBondContact OG-OE2 3.27Å; I664-E666 PolarHBondContact O-N 3.37Å; E666-V668 VanDerWaalsContact C-N 3.34Å; E666-V668 PolarHBondContact O-N 2.89Å; E666-Q669 PolarHBondContact O-N 3.36Å; E666-L670 WeakPolarHBondContact O-CG 3.42Å; E666-L670 PolarHBondContact O-N 2.85Å
667	A	94.9	Very high	92.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-38.6	178.1	0	0	0	0	0	112.3	L449 V451 M483 L662 S663 I664 E665 S671	L449-A667 HydrophobicContact CD1-CB 4.17Å; V451-A667 HydrophobicContact CG2-CB 3.54Å; M483-A667 HydrophobicContact CE-CB 3.85Å; L662-A667 HydrophobicContact CB-CB 4.41Å; L662-A667 HydrophobicContact CD1-CB 4.29Å; S663-A667 WeakPolarHBondContact O-CB 3.36Å; S663-A667 PolarHBondContact O-N 2.85Å; I664-A667 PolarHBondContact O-N 3.44Å; E665-A667 VanDerWaalsContact C-N 3.32Å; E665-A667 PolarHBondContact O-N 2.83Å; A667-S671 VanDerWaalsContact O-CB 3.26Å; A667-S671 WeakPolarHBondContact O-CB 3.43Å; A667-S671 PolarHBondContact O-N 2.82Å; A667-S671 PolarHBondContact O-OG 3.36Å
668	V	95.6	Very high	92.8	Very high	19 Å²	19	55.2 Å²	55.2	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-43.2	176.5	173.1	0	0	0	0	110.9	E482 M483 V486 I664 E665 E666 S671 K672	E482-V668 HydrophobicContact CB-CG2 3.74Å; M483-V668 HydrophobicContact CE-CG2 4.02Å; M483-V668 HydrophobicContact CG-CG2 4.38Å; M483-V668 HydrophobicContact SD-CG2 4.05Å; V486-V668 HydrophobicContact CG2-CG1 3.68Å; I664-V668 HydrophobicContact CG2-CG2 4.33Å; I664-V668 VanDerWaalsContact O-CG2 3.25Å; I664-V668 WeakPolarHBondContact O-CG2 3.2Å; I664-V668 PolarHBondContact O-N 2.89Å; E665-V668 PolarHBondContact O-N 2.93Å; E666-V668 VanDerWaalsContact C-N 3.34Å; E666-V668 PolarHBondContact O-N 2.89Å; V668-S671 PolarHBondContact O-N 3.21Å; V668-K672 WeakPolarHBondContact O-CB 3.31Å; V668-K672 PolarHBondContact O-N 3.49Å
669	Q	95	Very high	92.8	Very high	118 Å²	118	55.8 Å²	55.8	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-62.7	-45.8	177.1	-70.7	178.8	4.4	0	0	112	E665 E666 K672 R673	E665-Q669 WeakPolarHBondContact O-CG 3.15Å; E665-Q669 PolarHBondContact O-N 3.25Å; E665-Q669 PolarHBondContact OE1-NE2 2.63Å; E666-Q669 PolarHBondContact O-N 3.36Å; Q669-K672 PolarHBondContact O-N 3.25Å; Q669-R673 PolarHBondContact O-N 3.05Å
670	L	94.4	Very high	92.8	Very high	52 Å²	52	61.1 Å²	61.1	27%	0.272	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.3	-72.6	173.7	0	0	0	111.5	L449 L662 E666 K672 R673 W674	L449-L670 HydrophobicContact CD1-CB 4.49Å; L449-L670 HydrophobicContact CD2-CD1 4.23Å; L662-L670 HydrophobicContact CD1-CD1 3.7Å; L662-L670 HydrophobicContact CD2-CD1 3.91Å; L662-L670 HydrophobicContact CG-CD1 4.49Å; E666-L670 WeakPolarHBondContact O-CG 3.42Å; E666-L670 PolarHBondContact O-N 2.85Å; L670-K672 PolarHBondContact O-N 2.91Å; L670-R673 PolarHBondContact O-N 2.95Å; L670-W674 WeakPolarHBondContact O-CB 3.37Å; L670-W674 PolarHBondContact O-N 3.48Å
671	S	94.3	Very high	92.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-45.3	177.6	-59.2	0	0	0	0	111.4	L630 A667 V668 R673 W674 L675	L630-S671 WeakPolarHBondContact CD2-OG 3.42Å; A667-S671 VanDerWaalsContact O-CB 3.26Å; A667-S671 WeakPolarHBondContact O-CB 3.43Å; A667-S671 PolarHBondContact O-N 2.82Å; A667-S671 PolarHBondContact O-OG 3.36Å; V668-S671 PolarHBondContact O-N 3.21Å; S671-R673 PolarHBondContact O-N 3.4Å; S671-W674 PolarHBondContact O-N 2.93Å; S671-L675 WeakPolarHBondContact O-CB 3.42Å; S671-L675 VanDerWaalsContact O-CG 3.23Å; S671-L675 WeakPolarHBondContact O-CG 3.41Å; S671-L675 PolarHBondContact O-N 3.25Å
672	K	94	Very high	92.5	Very high	111 Å²	111	63.2 Å²	63.2	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-42.5	177.6	-172.1	174.4	-177.2	174.9	0	112.2	V486 V668 Q669 L670 K676	V486-K672 HydrophobicContact CG1-CB 3.8Å; V486-K672 HydrophobicContact CG1-CG 4.26Å; V668-K672 WeakPolarHBondContact O-CB 3.31Å; V668-K672 PolarHBondContact O-N 3.49Å; Q669-K672 PolarHBondContact O-N 3.25Å; L670-K672 PolarHBondContact O-N 2.91Å; K672-K676 WeakPolarHBondContact O-CG 3.45Å; K672-K676 PolarHBondContact O-N 3.43Å
673	R	93.9	Very high	92.1	Very high	198 Å²	198	70.6 Å²	70.6	75%	0.747	34%	0.336	S	S	*	.	H	α-helix	trans	-64.7	-46.2	177.1	-178.2	179.9	178.2	-178.6	-0.4	111.1	Q669 L670 S671 K676 L677	Q669-R673 PolarHBondContact O-N 3.05Å; L670-R673 PolarHBondContact O-N 2.95Å; S671-R673 PolarHBondContact O-N 3.4Å; R673-K676 PolarHBondContact O-N 3.37Å; R673-L677 PolarHBondContact O-N 2.82Å
674	W	94	Very high	91.5	Very high	18 Å²	18	76.7 Å²	76.7	7%	0.068	36%	0.364	C	S	.	.	H	α-helix	trans	-67.8	-44.2	-178	179.5	84.4	0	0	0	112.2	P444 C445 L447 Y628 G629 L630 L670 S671 K676 L677 M678	P444-W674 PolarHBondContact O-NE1 2.93Å; C445-W674 WeakPolarHBondContact O-CZ2 3.33Å; L447-W674 HydrophobicContact CB-CD2 3.76Å; L447-W674 HydrophobicContact CB-CE3 4.29Å; L447-W674 HydrophobicContact CB-CG 4.02Å; L447-W674 HydrophobicContact CB-CZ2 4.04Å; L447-W674 HydrophobicContact CD2-CB 3.5Å; L447-W674 VanDerWaalsContact CD2-CB 3.5Å; L447-W674 HydrophobicContact CD2-CD2 3.88Å; L447-W674 HydrophobicContact CD2-CE3 4.36Å; L447-W674 HydrophobicContact CD2-CG 3.49Å; L447-W674 VanDerWaalsContact CD2-CG 3.49Å; L447-W674 HydrophobicContact CG-CD2 4.45Å; L447-W674 HydrophobicContact CG-CG 4.29Å; Y628-W674 AromaticContact CD2-CH2 3.8Å; Y628-W674 HydrophobicContact CD2-CH2 3.8Å; Y628-W674 HydrophobicContact CD2-CZ3 4.01Å; Y628-W674 HydrophobicContact CG-CH2 4.27Å; G629-W674 VanDerWaalsContact C-CH2 3.49Å; G629-W674 WeakPolarHBondContact O-CH2 3.49Å; L630-W674 HydrophobicContact CB-CZ3 4.01Å; L670-W674 WeakPolarHBondContact O-CB 3.37Å; L670-W674 PolarHBondContact O-N 3.48Å; S671-W674 PolarHBondContact O-N 2.93Å; W674-K676 VanDerWaalsContact C-N 3.3Å; W674-K676 PolarHBondContact O-N 3.05Å; W674-L677 WeakPolarHBondContact O-CB 3.48Å; W674-L677 PolarHBondContact O-N 3.09Å; W674-L677 VanDerWaalsContact O-N 3.08Å; W674-M678 HydrophobicContact CD2-CG 3.73Å; W674-M678 HydrophobicContact CE3-CG 4.18Å; W674-M678 HydrophobicContact CG-CG 4.26Å; W674-M678 HydrophobicContact CH2-CG 4.03Å; W674-M678 HydrophobicContact CZ2-CG 3.57Å; W674-M678 HydrophobicContact CZ2-SD 4.07Å; W674-M678 HydrophobicContact CZ3-CG 4.31Å; W674-M678 WeakPolarHBondContact O-CB 3.33Å; W674-M678 WeakPolarHBondContact O-CG 3.35Å; W674-M678 PolarHBondContact O-N 2.84Å
675	L	92.5	Very high	90.9	Very high	15 Å²	15	83.3 Å²	83.3	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-40.2	176.4	-74.4	167.5	0	0	0	112.2	V486 I487 Y628 S671 L677 M678 A679	V486-L675 HydrophobicContact CG1-CD1 4.09Å; I487-L675 HydrophobicContact CG1-CD1 4.17Å; Y628-L675 HydrophobicContact CE2-CD2 4.19Å; S671-L675 WeakPolarHBondContact O-CB 3.42Å; S671-L675 VanDerWaalsContact O-CG 3.23Å; S671-L675 WeakPolarHBondContact O-CG 3.41Å; S671-L675 PolarHBondContact O-N 3.25Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 2.97Å; L675-M678 PolarHBondContact O-N 3.47Å; L675-A679 VanDerWaalsContact O-CB 3.26Å; L675-A679 WeakPolarHBondContact O-CB 3.5Å; L675-A679 PolarHBondContact O-N 3.15Å
676	K	91.9	Very high	90.4	Very high	137 Å²	137	82.1 Å²	82.1	60%	0.596	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-37.2	175.3	-75.2	178.9	177.3	-168.6	0	113.2	K672 R673 W674	K672-K676 WeakPolarHBondContact O-CG 3.45Å; K672-K676 PolarHBondContact O-N 3.43Å; R673-K676 PolarHBondContact O-N 3.37Å; W674-K676 VanDerWaalsContact C-N 3.3Å; W674-K676 PolarHBondContact O-N 3.05Å
677	L	91.8	Very high	89.8	Confident	105 Å²	105	79.8 Å²	79.8	55%	0.55	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-42.8	175.6	-174.8	73.2	0	0	0	110.4	R673 W674 L675 Q680	R673-L677 PolarHBondContact O-N 2.82Å; W674-L677 WeakPolarHBondContact O-CB 3.48Å; W674-L677 PolarHBondContact O-N 3.09Å; W674-L677 VanDerWaalsContact O-N 3.08Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 2.97Å; L677-Q680 PolarHBondContact O-N 3.43Å
678	M	89.2	Confident	89.2	Confident	6 Å²	6	83.3 Å²	83.3	3%	0.03	40%	0.4	C	S	.	.	H	α-helix	trans	-74.3	-26.6	-176.9	-68	-57.5	92.1	0	0	113.8	R443 P444 Y628 W674 L675 Q680	R443-M678 PolarHBondContact NE-SD 3.32Å; R443-M678 PolarHBondContact NH1-O 2.95Å; R443-M678 VanDerWaalsContact NH1-O 3.14Å; R443-M678 VanDerWaalsContact NH2-C 3.33Å; R443-M678 PolarHBondContact NH2-O 3.37Å; R443-M678 PolarHBondContact NH2-SD 3.26Å; P444-M678 HydrophobicContact CG-CE 4.07Å; P444-M678 VanDerWaalsContact O-SD 3.37Å; Y628-M678 HydrophobicContact CD1-CB 4.22Å; Y628-M678 HydrophobicContact CD2-CB 3.82Å; Y628-M678 HydrophobicContact CD2-CG 4.33Å; Y628-M678 HydrophobicContact CE2-CB 4.16Å; Y628-M678 HydrophobicContact CG-CB 3.86Å; Y628-M678 HydrophobicContact CG-CG 4.27Å; W674-M678 HydrophobicContact CD2-CG 3.73Å; W674-M678 HydrophobicContact CE3-CG 4.18Å; W674-M678 HydrophobicContact CG-CG 4.26Å; W674-M678 HydrophobicContact CH2-CG 4.03Å; W674-M678 HydrophobicContact CZ2-CG 3.57Å; W674-M678 HydrophobicContact CZ2-SD 4.07Å; W674-M678 HydrophobicContact CZ3-CG 4.31Å; W674-M678 WeakPolarHBondContact O-CB 3.33Å; W674-M678 WeakPolarHBondContact O-CG 3.35Å; W674-M678 PolarHBondContact O-N 2.84Å; L675-M678 PolarHBondContact O-N 3.47Å; M678-Q680 PolarHBondContact O-N 3.27Å
679	A	87.3	Confident	88.2	Confident	69 Å²	69	84.1 Å²	84.1	57%	0.57	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-8	177.5	0	0	0	0	0	114	L675	L675-A679 VanDerWaalsContact O-CB 3.26Å; L675-A679 WeakPolarHBondContact O-CB 3.5Å; L675-A679 PolarHBondContact O-N 3.15Å
680	Q	89.6	Confident	87.5	Confident	125 Å²	125	82.7 Å²	82.7	58%	0.584	41%	0.407	S	S	*	.	S	Bend	trans	-66.9	147	173.3	-62.6	-59.3	-38.5	0	0	110.6	L677 M678 F682	L677-Q680 PolarHBondContact O-N 3.43Å; M678-Q680 PolarHBondContact O-N 3.27Å; Q680-F682 PolarHBondContact O-N 3.34Å
681	P	86.8	Confident	86.8	Confident	102 Å²	102	80.9 Å²	80.9	66%	0.662	40%	0.398	S	S	*	.			trans	-57.1	130.5	178	24.5	-34	0	0	0	110.1
682	F	85.1	Confident	86.3	Confident	51 Å²	51	83.7 Å²	83.7	22%	0.224	41%	0.413	C	S	.	.			trans	-121.5	105.2	179.4	-175.4	-125.8	0	0	0	108.6	A442 R443 Q680 D686 Q687	A442-F682 HydrophobicContact CB-CE2 4.44Å; A442-F682 HydrophobicContact CB-CZ 4.11Å; R443-F682 HydrophobicContact CB-CE2 4.41Å; R443-F682 HydrophobicContact CG-CD2 4.46Å; R443-F682 HydrophobicContact CG-CE1 4.2Å; R443-F682 HydrophobicContact CG-CE2 3.96Å; R443-F682 HydrophobicContact CG-CZ 3.81Å; Q680-F682 PolarHBondContact O-N 3.34Å; F682-D686 HydrophobicContact CD2-CB 3.78Å; F682-D686 HydrophobicContact CE2-CB 3.57Å; F682-Q687 HydrophobicContact CE1-CG 3.6Å; F682-Q687 HydrophobicContact CE2-CG 4.2Å; F682-Q687 HydrophobicContact CZ-CG 3.39Å
683	R	84.7	Confident	85.8	Confident	163 Å²	163	81.2 Å²	81.2	62%	0.615	41%	0.405	S	S	*	.			trans	-89.9	162.4	-174.3	-64.3	-177.6	178.3	-178.1	0	109.9	E685 D686	R683-E685 PolarHBondContact O-N 3.12Å; R683-D686 PolarHBondContact N-OD2 3.38Å; R683-D686 WeakPolarHBondContact O-CB 3.5Å; R683-D686 PolarHBondContact O-N 3.11Å
684	Q	81.7	Confident	85.5	Confident	136 Å²	136	74.3 Å²	74.3	64%	0.636	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-60.4	-32.7	175.2	-170.8	175.5	4.4	0	0	111.7	D686 Q687 L688 L692	Q684-D686 VanDerWaalsContact C-N 3.28Å; Q684-D686 PolarHBondContact O-N 3.18Å; Q684-Q687 WeakPolarHBondContact O-CB 3.34Å; Q684-Q687 PolarHBondContact O-N 3.47Å; Q684-L688 PolarHBondContact O-N 3.07Å; Q684-L692 HydrophobicContact CG-CD2 3.6Å
685	E	84	Confident	85.1	Confident	139 Å²	139	77.4 Å²	77.4	65%	0.65	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-57.5	-38.5	176.3	-65.4	172.6	-173.2	0	0	112.5	R683 Q687 L688	R683-E685 PolarHBondContact O-N 3.12Å; E685-Q687 PolarHBondContact O-N 2.95Å; E685-L688 PolarHBondContact O-N 3.11Å
686	D	83.3	Confident	84.8	Confident	83 Å²	83	84.4 Å²	84.4	44%	0.444	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-66.8	-18.2	178.9	-56.4	-45.6	0	0	0	112.5	F682 R683 Q684	F682-D686 HydrophobicContact CD2-CB 3.78Å; F682-D686 HydrophobicContact CE2-CB 3.57Å; R683-D686 PolarHBondContact N-OD2 3.38Å; R683-D686 WeakPolarHBondContact O-CB 3.5Å; R683-D686 PolarHBondContact O-N 3.11Å; Q684-D686 VanDerWaalsContact C-N 3.28Å; Q684-D686 PolarHBondContact O-N 3.18Å
687	Q	81.3	Confident	84.5	Confident	28 Å²	28	80.5 Å²	80.5	13%	0.131	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-91.8	-23.2	-180	-61.4	-176.8	37.1	0	0	112.9	F682 Q684 E685 G689 I690 S691 L692	F682-Q687 HydrophobicContact CE1-CG 3.6Å; F682-Q687 HydrophobicContact CE2-CG 4.2Å; F682-Q687 HydrophobicContact CZ-CG 3.39Å; Q684-Q687 WeakPolarHBondContact O-CB 3.34Å; Q684-Q687 PolarHBondContact O-N 3.47Å; E685-Q687 PolarHBondContact O-N 2.95Å; Q687-G689 PolarHBondContact O-N 2.92Å; Q687-I690 PolarHBondContact O-N 3.25Å; Q687-S691 WeakPolarHBondContact CB-OG 3.47Å; Q687-S691 PolarHBondContact O-N 3.38Å; Q687-L692 HydrophobicContact CB-CB 3.87Å; Q687-L692 PolarHBondContact O-N 3.2Å
688	L	82.2	Confident	84.1	Confident	75 Å²	75	79.4 Å²	79.4	39%	0.393	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-62.2	130.8	-173.1	-69.9	174.2	0	0	0	111.2	Q684 E685 I690 L692 T694	Q684-L688 PolarHBondContact O-N 3.07Å; E685-L688 PolarHBondContact O-N 3.11Å; L688-I690 VanDerWaalsContact C-N 3.26Å; L688-I690 PolarHBondContact O-N 3.4Å; L688-L692 HydrophobicContact CD2-CD2 3.83Å; L688-L692 HydrophobicContact CD2-CG 4.23Å; L688-T694 HydrophobicContact CD2-CG2 3.83Å
689	G	74.7	Confident	83.8	Confident	35 Å²	35	83 Å²	83	36%	0.361	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-8.2	-179.3	0	0	0	0	0	115.2	Q687 L692	Q687-G689 PolarHBondContact O-N 2.92Å; G689-L692 PolarHBondContact N-O 2.77Å
690	I	80	Confident	83.8	Confident	89 Å²	89	83.8 Å²	83.8	46%	0.456	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-71.9	176.5	-54.5	174	0	0	0	110.7	T440 A442 Q687 L688	T440-I690 HydrophobicContact CG2-CG2 4.14Å; A442-I690 HydrophobicContact CB-CB 4.18Å; A442-I690 HydrophobicContact CB-CD1 4.33Å; A442-I690 HydrophobicContact CB-CG2 4.17Å; Q687-I690 PolarHBondContact O-N 3.25Å; L688-I690 VanDerWaalsContact C-N 3.26Å; L688-I690 PolarHBondContact O-N 3.4Å
691	S	80.3	Confident	83.5	Confident	13 Å²	13	83.4 Å²	83.4	9%	0.091	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-18.6	-175	55.2	0	0	0	0	113.4	K625 Q687	K625-S691 PolarHBondContact NZ-O 2.88Å; Q687-S691 WeakPolarHBondContact CB-OG 3.47Å; Q687-S691 PolarHBondContact O-N 3.38Å
692	L	84.1	Confident	83.2	Confident	59 Å²	59	86.6 Å²	86.6	31%	0.309	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-121.5	136	172.7	-174.1	67.3	0	0	0	109	Q684 Q687 L688 G689	Q684-L692 HydrophobicContact CG-CD2 3.6Å; Q687-L692 HydrophobicContact CB-CB 3.87Å; Q687-L692 PolarHBondContact O-N 3.2Å; L688-L692 HydrophobicContact CD2-CD2 3.83Å; L688-L692 HydrophobicContact CD2-CG 4.23Å; G689-L692 PolarHBondContact N-O 2.77Å
693	L	84.7	Confident	82.9	Confident	59 Å²	59	85.5 Å²	85.5	31%	0.309	44%	0.444	S	S	.	.			trans	-119.8	137.3	-179.8	-61.8	175.3	0	0	0	109.9	I698 T703 L707	L693-I698 HydrophobicContact CB-CD1 4.31Å; L693-I698 HydrophobicContact CB-CG1 3.95Å; L693-I698 HydrophobicContact CD1-CG1 4.36Å; L693-T703 HydrophobicContact CD1-CG2 4.25Å; L693-T703 HydrophobicContact CD2-CG2 4.2Å; L693-L707 HydrophobicContact CD1-CD1 4.15Å
694	T	87.3	Confident	82.7	Confident	53 Å²	53	85 Å²	85	33%	0.325	44%	0.442	S	S	.	.			trans	-86.9	164.1	170.8	65.4	0	0	0	0	111.4	L688 E696 Q697 I698	L688-T694 HydrophobicContact CD2-CG2 3.83Å; T694-E696 VanDerWaalsContact C-N 3.29Å; T694-E696 PolarHBondContact O-N 3.15Å; T694-Q697 VanDerWaalsContact N-OE1 3.11Å; T694-Q697 PolarHBondContact O-N 2.93Å; T694-Q697 VanDerWaalsContact O-N 3.1Å; T694-Q697 VanDerWaalsContact OG1-CG 3.29Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.22Å; T694-Q697 PolarHBondContact OG1-N 3.18Å; T694-I698 WeakPolarHBondContact O-CG1 3.24Å; T694-I698 PolarHBondContact O-N 3.24Å
695	A	85.7	Confident	82.7	Confident	84 Å²	84	86 Å²	86	69%	0.694	44%	0.44	S	S	*	.	H	α-helix	trans	-55.1	-43.4	176.9	0	0	0	0	0	112.5	Q697 I698 S699	A695-Q697 PolarHBondContact O-N 2.95Å; A695-I698 PolarHBondContact O-N 3.45Å; A695-S699 PolarHBondContact O-N 3.23Å
696	E	85.9	Confident	82.4	Confident	161 Å²	161	84.5 Å²	84.5	75%	0.752	43%	0.431	S	S	*	.	H	α-helix	trans	-62	-42.7	176.1	-64	-178.5	174.9	0	0	111.9	T694 I698 S699 N700	T694-E696 VanDerWaalsContact C-N 3.29Å; T694-E696 PolarHBondContact O-N 3.15Å; E696-I698 VanDerWaalsContact C-N 3.31Å; E696-I698 PolarHBondContact O-N 2.89Å; E696-S699 PolarHBondContact O-N 3.37Å; E696-S699 PolarHBondContact O-OG 3.43Å; E696-N700 PolarHBondContact O-N 2.99Å
697	Q	84.5	Confident	82.1	Confident	55 Å²	55	84.5 Å²	84.5	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-32.4	178.9	-72.9	174.3	-14.4	0	0	112.9	T694 A695 N700 T703	T694-Q697 VanDerWaalsContact N-OE1 3.11Å; T694-Q697 PolarHBondContact O-N 2.93Å; T694-Q697 VanDerWaalsContact O-N 3.1Å; T694-Q697 VanDerWaalsContact OG1-CG 3.29Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.22Å; T694-Q697 PolarHBondContact OG1-N 3.18Å; A695-Q697 PolarHBondContact O-N 2.95Å; Q697-N700 WeakPolarHBondContact O-CB 3.42Å; Q697-N700 PolarHBondContact O-N 3.27Å; Q697-T703 WeakPolarHBondContact O-CB 3.35Å; Q697-T703 PolarHBondContact O-OG1 2.87Å
698	I	83.5	Confident	81.7	Confident	83 Å²	83	85.7 Å²	85.7	43%	0.426	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-32.5	176.4	-65.4	165.5	0	0	0	111.4	L693 T694 A695 E696 N700 R704	L693-I698 HydrophobicContact CB-CD1 4.31Å; L693-I698 HydrophobicContact CB-CG1 3.95Å; L693-I698 HydrophobicContact CD1-CG1 4.36Å; T694-I698 WeakPolarHBondContact O-CG1 3.24Å; T694-I698 PolarHBondContact O-N 3.24Å; A695-I698 PolarHBondContact O-N 3.45Å; E696-I698 VanDerWaalsContact C-N 3.31Å; E696-I698 PolarHBondContact O-N 2.89Å; I698-N700 VanDerWaalsContact C-N 3.27Å; I698-N700 PolarHBondContact O-N 3.47Å; I698-R704 PolarHBondContact O-NE 2.85Å
699	S	83.2	Confident	81.3	Confident	82 Å²	82	88.2 Å²	88.2	57%	0.573	46%	0.456	S	S	*	.	H	α-helix	trans	-71.3	-22.3	176.3	77.2	0	0	0	0	113.1	A695 E696 E701	A695-S699 PolarHBondContact O-N 3.23Å; E696-S699 PolarHBondContact O-N 3.37Å; E696-S699 PolarHBondContact O-OG 3.43Å; S699-E701 PolarHBondContact O-N 3.49Å
700	N	86.9	Confident	81.1	Confident	85 Å²	85	89.7 Å²	89.7	46%	0.455	45%	0.453	S	S	.	.			trans	-68.7	125.5	180	-171.3	-18	0	0	0	111.9	E696 Q697 I698 K702 T703 R704	E696-N700 PolarHBondContact O-N 2.99Å; Q697-N700 WeakPolarHBondContact O-CB 3.42Å; Q697-N700 PolarHBondContact O-N 3.27Å; I698-N700 VanDerWaalsContact C-N 3.27Å; I698-N700 PolarHBondContact O-N 3.47Å; N700-K702 VanDerWaalsContact C-N 3.26Å; N700-K702 PolarHBondContact O-N 2.96Å; N700-K702 PolarHBondContact OD1-N 2.59Å; N700-K702 VanDerWaalsContact OD1-N 3.12Å; N700-T703 WeakPolarHBondContact O-CB 3.35Å; N700-T703 PolarHBondContact O-N 3.03Å; N700-T703 VanDerWaalsContact O-N 3.12Å; N700-R704 PolarHBondContact O-N 3.04Å
701	E	83.1	Confident	80.5	Confident	117 Å²	117	87.5 Å²	87.5	55%	0.547	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-35.6	-178.2	-162.8	-175.4	166.7	0	0	112.9	S699 T703 R704 R705	S699-E701 PolarHBondContact O-N 3.49Å; E701-T703 VanDerWaalsContact C-N 3.33Å; E701-T703 PolarHBondContact O-N 3.44Å; E701-R704 PolarHBondContact O-N 3.32Å; E701-R705 WeakPolarHBondContact O-CG 3.48Å; E701-R705 PolarHBondContact O-N 2.95Å; E701-R705 IonicContact OE1-CZ 3.87Å; E701-R705 IonicContact OE1-NE 3.94Å; E701-R705 PolarHBondContact OE1-NE 3.27Å; E701-R705 IonicContact OE1-NH2 3.17Å; E701-R705 PolarHBondContact OE1-NH2 3.41Å
702	K	81.9	Confident	79.5	Confident	169 Å²	169	91 Å²	91	74%	0.735	47%	0.471	S	S	*	.	H	α-helix	trans	-62.3	-41.6	178.1	-172.4	179	-179.2	-179.5	0	111.6	N700 R705 K706	N700-K702 VanDerWaalsContact C-N 3.26Å; N700-K702 PolarHBondContact O-N 2.96Å; N700-K702 PolarHBondContact OD1-N 2.59Å; N700-K702 VanDerWaalsContact OD1-N 3.12Å; K702-R705 PolarHBondContact O-N 3.44Å; K702-K706 PolarHBondContact O-N 3.28Å; K702-K706 VanDerWaalsContact O-N 3.07Å
703	T	78.5	Confident	78.5	Confident	28 Å²	28	93.5 Å²	93.5	17%	0.172	49%	0.485	C	S	.	.	H	α-helix	trans	-66.5	-43.4	177.4	-47.3	0	0	0	0	110.4	L693 Q697 N700 E701 R705 K706 L707	L693-T703 HydrophobicContact CD1-CG2 4.25Å; L693-T703 HydrophobicContact CD2-CG2 4.2Å; Q697-T703 WeakPolarHBondContact O-CB 3.35Å; Q697-T703 PolarHBondContact O-OG1 2.87Å; N700-T703 WeakPolarHBondContact O-CB 3.35Å; N700-T703 PolarHBondContact O-N 3.03Å; N700-T703 VanDerWaalsContact O-N 3.12Å; E701-T703 VanDerWaalsContact C-N 3.33Å; E701-T703 PolarHBondContact O-N 3.44Å; T703-R705 PolarHBondContact O-N 3.35Å; T703-K706 WeakPolarHBondContact O-CB 3.41Å; T703-K706 PolarHBondContact O-N 3.42Å; T703-L707 HydrophobicContact CG2-CD1 4.17Å; T703-L707 HydrophobicContact CG2-CG 4.45Å; T703-L707 WeakPolarHBondContact O-CG 3.33Å; T703-L707 PolarHBondContact O-N 3.41Å
704	R	80.4	Confident	77.3	Confident	152 Å²	152	91.4 Å²	91.4	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-59.8	-44.5	176.5	-70	-176.4	175.6	-168.9	-4.3	112.3	I698 N700 E701 K706 L707 A708	I698-R704 PolarHBondContact O-NE 2.85Å; N700-R704 PolarHBondContact O-N 3.04Å; E701-R704 PolarHBondContact O-N 3.32Å; R704-K706 VanDerWaalsContact C-N 3.34Å; R704-K706 PolarHBondContact O-N 3.06Å; R704-L707 PolarHBondContact O-N 3.09Å; R704-A708 VanDerWaalsContact O-CB 3.32Å; R704-A708 WeakPolarHBondContact O-CB 3.29Å; R704-A708 PolarHBondContact O-N 3.06Å
705	R	80.4	Confident	75.9	Confident	158 Å²	158	94.6 Å²	94.6	60%	0.596	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-42.2	175.5	-71.1	-178.8	-172.9	-169.3	2.9	111.9	E701 K702 T703 A708 Q709	E701-R705 WeakPolarHBondContact O-CG 3.48Å; E701-R705 PolarHBondContact O-N 2.95Å; E701-R705 IonicContact OE1-CZ 3.87Å; E701-R705 IonicContact OE1-NE 3.94Å; E701-R705 PolarHBondContact OE1-NE 3.27Å; E701-R705 IonicContact OE1-NH2 3.17Å; E701-R705 PolarHBondContact OE1-NH2 3.41Å; K702-R705 PolarHBondContact O-N 3.44Å; T703-R705 PolarHBondContact O-N 3.35Å; R705-A708 PolarHBondContact O-N 3.41Å; R705-Q709 WeakPolarHBondContact O-CB 3.09Å; R705-Q709 WeakPolarHBondContact O-CG 3.38Å; R705-Q709 PolarHBondContact O-N 2.99Å
706	K	78.6	Confident	74.6	Confident	106 Å²	106	94 Å²	94	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-44.8	176.3	-170.1	-176.7	-180	-174.4	0	111.9	K702 T703 R704 H710	K702-K706 PolarHBondContact O-N 3.28Å; K702-K706 VanDerWaalsContact O-N 3.07Å; T703-K706 WeakPolarHBondContact O-CB 3.41Å; T703-K706 PolarHBondContact O-N 3.42Å; R704-K706 VanDerWaalsContact C-N 3.34Å; R704-K706 PolarHBondContact O-N 3.06Å; K706-H710 WeakPolarHBondContact O-CB 3.45Å; K706-H710 PolarHBondContact O-CD2 3.13Å; K706-H710 VanDerWaalsContact O-CD2 3.3Å; K706-H710 PolarHBondContact O-N 3.08Å
707	L	77.2	Confident	72.4	Confident	84 Å²	84	95.9 Å²	95.9	44%	0.44	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-39.7	177.2	-69.2	173.1	0	0	0	111.9	L693 T703 R704 H710 A711	L693-L707 HydrophobicContact CD1-CD1 4.15Å; T703-L707 HydrophobicContact CG2-CD1 4.17Å; T703-L707 HydrophobicContact CG2-CG 4.45Å; T703-L707 WeakPolarHBondContact O-CG 3.33Å; T703-L707 PolarHBondContact O-N 3.41Å; R704-L707 PolarHBondContact O-N 3.09Å; L707-H710 PolarHBondContact O-N 3.21Å; L707-A711 WeakPolarHBondContact O-CB 3.3Å; L707-A711 PolarHBondContact O-N 3.47Å
708	A	73.6	Confident	71.8	Confident	53 Å²	53	97.9 Å²	97.9	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-43.4	176.6	0	0	0	0	0	112.1	R704 R705 A711 C712	R704-A708 VanDerWaalsContact O-CB 3.32Å; R704-A708 WeakPolarHBondContact O-CB 3.29Å; R704-A708 PolarHBondContact O-N 3.06Å; R705-A708 PolarHBondContact O-N 3.41Å; A708-A711 PolarHBondContact O-N 3.48Å; A708-C712 PolarHBondContact O-N 2.74Å; A708-C712 PolarHBondContact O-SG 3.1Å
709	Q	72.5	Confident	71.2	Confident	128 Å²	128	98.7 Å²	98.7	60%	0.598	51%	0.512	S	S	*	.	H	α-helix	trans	-60.3	-47.1	173.5	-77.4	176.3	-20.1	0	0	111.3	R705 A711 C712 D713	R705-Q709 WeakPolarHBondContact O-CB 3.09Å; R705-Q709 WeakPolarHBondContact O-CG 3.38Å; R705-Q709 PolarHBondContact O-N 2.99Å; Q709-A711 VanDerWaalsContact C-N 3.28Å; Q709-A711 PolarHBondContact O-N 2.88Å; Q709-C712 PolarHBondContact O-N 3.3Å; Q709-D713 VanDerWaalsContact O-CG 3.29Å; Q709-D713 PolarHBondContact O-N 2.94Å
710	H	71.1	Confident	70.5	Confident	65 Å²	65	99.6 Å²	99.6	30%	0.301	51%	0.508	S	S	.	.	H	α-helix	trans	-57.9	-41.8	174.6	-75.5	-162.7	0	0	0	111.5	K706 L707 D713 M714	K706-H710 WeakPolarHBondContact O-CB 3.45Å; K706-H710 PolarHBondContact O-CD2 3.13Å; K706-H710 VanDerWaalsContact O-CD2 3.3Å; K706-H710 PolarHBondContact O-N 3.08Å; L707-H710 PolarHBondContact O-N 3.21Å; H710-D713 PolarHBondContact O-N 3.43Å; H710-M714 WeakPolarHBondContact O-CG 3.38Å; H710-M714 PolarHBondContact O-N 3.1Å
711	A	66.2	Low	69.5	Low	44 Å²	44	100.5 Å²	100.5	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-41.6	178.1	0	0	0	0	0	112.9	L707 A708 Q709 M714 E715	L707-A711 WeakPolarHBondContact O-CB 3.3Å; L707-A711 PolarHBondContact O-N 3.47Å; A708-A711 PolarHBondContact O-N 3.48Å; Q709-A711 VanDerWaalsContact C-N 3.28Å; Q709-A711 PolarHBondContact O-N 2.88Å; A711-M714 WeakPolarHBondContact O-CB 3.48Å; A711-M714 PolarHBondContact O-N 2.74Å; A711-M714 VanDerWaalsContact O-N 3.11Å; A711-E715 PolarHBondContact O-N 3.35Å
712	C	61	Low	68.7	Low	85 Å²	85	99.4 Å²	99.4	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-64	-39.5	175.4	-72.9	0	0	0	0	112.1	A708 Q709 M714 E715	A708-C712 PolarHBondContact O-N 2.74Å; A708-C712 PolarHBondContact O-SG 3.1Å; Q709-C712 PolarHBondContact O-N 3.3Å; C712-M714 PolarHBondContact O-N 3.46Å; C712-M714 VanDerWaalsContact O-N 3.14Å; C712-E715 PolarHBondContact O-N 3.01Å
713	D	61.7	Low	67.8	Low	112 Å²	112	94.8 Å²	94.8	60%	0.599	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.4	175.7	-66.6	-19	0	0	0	113.3	R649 Q709 H710	R649-D713 PolarHBondContact NH1-O 3.1Å; Q709-D713 VanDerWaalsContact O-CG 3.29Å; Q709-D713 PolarHBondContact O-N 2.94Å; H710-D713 PolarHBondContact O-N 3.43Å
714	M	59.7	Low	67	Low	15 Å²	15	99.6 Å²	99.6	7%	0.074	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-15.9	-179.1	-70.4	164.6	159.3	0	0	113.5	A435 S436 F437 S438 H710 A711 C712 V716	A435-M714 WeakPolarHBondContact CA-O 3.43Å; S436-M714 PolarHBondContact N-O 2.88Å; S436-M714 WeakPolarHBondContact O-CB 3.38Å; S436-M714 VanDerWaalsContact O-CG 3.26Å; S436-M714 WeakPolarHBondContact O-CG 3.5Å; F437-M714 VanDerWaalsContact CA-CE 3.45Å; F437-M714 HydrophobicContact CB-CE 3.86Å; F437-M714 HydrophobicContact CB-SD 4.18Å; F437-M714 HydrophobicContact CD1-CE 3.9Å; F437-M714 HydrophobicContact CD1-SD 3.27Å; F437-M714 WeakPolarHBondContact CD1-SD 3.29Å; F437-M714 HydrophobicContact CE1-SD 3.92Å; F437-M714 HydrophobicContact CG-CE 4.35Å; F437-M714 HydrophobicContact CG-SD 4.06Å; S438-M714 WeakPolarHBondContact OG-CE 3.24Å; H710-M714 WeakPolarHBondContact O-CG 3.38Å; H710-M714 PolarHBondContact O-N 3.1Å; A711-M714 WeakPolarHBondContact O-CB 3.48Å; A711-M714 PolarHBondContact O-N 2.74Å; A711-M714 VanDerWaalsContact O-N 3.11Å; C712-M714 PolarHBondContact O-N 3.46Å; C712-M714 VanDerWaalsContact O-N 3.14Å; M714-V716 PolarHBondContact O-N 3.19Å
715	E	59.2	Low	66	Low	120 Å²	120	95.5 Å²	95.5	56%	0.561	51%	0.513	S	S	*	.	B	Isolated β-bridge	trans	-73.1	114.7	173	-75	-176.6	171.8	0	0	108.7	A711 C712 T717	A711-E715 PolarHBondContact O-N 3.35Å; C712-E715 PolarHBondContact O-N 3.01Å; E715-T717 PolarHBondContact O-N 3.49Å
716	V	57.6	Low	64.8	Low	72 Å²	72	90.3 Å²	90.3	44%	0.436	51%	0.506	S	S	.	.			trans	-87.9	103.5	173.7	-174.7	0	0	0	0	105.7	L420 M434 M714	L420-V716 HydrophobicContact CD1-CG2 4.45Å; M434-V716 PolarHBondContact O-N 3.02Å; M714-V716 PolarHBondContact O-N 3.19Å
717	T	39.3	Very low	63.6	Low	200 Å²	200	88.9 Å²	88.9	100%	1.227	51%	0.51	S	S	*	.			trans	-61.9	0	171.1	50.9	0	0	0	0	112.1	E715	E715-T717 PolarHBondContact O-N 3.49Å

Retrieved 717 of 717 residues in 318.8 ms (Link to these results)

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