A0A077YY47_TRITR Loading...

Alpha (1,6) fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077YY47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 501 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	43.5	Very low	53.6	Low	180 Å²	180	110.9 Å²	110.9	89%	0.887	54%	0.537	S	S	*	.				0	-58.6	0	-69.7	-96.2	-140.1	0	0	111.3	R3 L4 T5	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.86Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.16Å
2	L	44.7	Very low	54	Low	134 Å²	134	107.8 Å²	107.8	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-50.1	-39.4	-178.7	-120.1	84.9	0	0	0	115.8	T5 K6	L2-T5 PolarHBondContact O-N 2.63Å; L2-K6 WeakPolarHBondContact O-CG 3.29Å; L2-K6 PolarHBondContact O-N 3.21Å
3	R	48.2	Very low	54.4	Low	227 Å²	227	104.8 Å²	104.8	86%	0.857	53%	0.526	S	S	*	.	H	α-helix	trans	-68.4	-35.7	177.6	-75.4	-173.2	-179.8	-176	0.3	113.2	M1 L7	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.86Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-L7 PolarHBondContact O-N 2.94Å; R3-L7 VanDerWaalsContact O-N 3.17Å
4	L	50.5	Low	55	Low	56 Å²	56	101.2 Å²	101.2	29%	0.293	51%	0.509	S	S	.	.	H	α-helix	trans	-68.1	-44.7	173.9	-102.2	97.5	0	0	0	110.1	M1 K6 L7 T8 I79	M1-L4 PolarHBondContact O-N 3.34Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 3.43Å; L4-L7 VanDerWaalsContact O-N 3.1Å; L4-T8 PolarHBondContact O-N 2.9Å; L4-T8 PolarHBondContact O-OG1 3.43Å; L4-I79 HydrophobicContact CD1-CD1 4.46Å
5	T	53.4	Low	55.2	Low	76 Å²	76	97.9 Å²	97.9	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-41.9	179.2	-26.2	0	0	0	0	111.7	M1 L2 L7 T8 I9	M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.16Å; L2-T5 PolarHBondContact O-N 2.63Å; T5-L7 PolarHBondContact O-N 3.5Å; T5-T8 PolarHBondContact O-N 2.98Å; T5-I9 HydrophobicContact CG2-CD1 4.26Å; T5-I9 WeakPolarHBondContact O-CB 3.22Å; T5-I9 WeakPolarHBondContact O-CD1 3.17Å; T5-I9 WeakPolarHBondContact O-CG1 3.39Å; T5-I9 PolarHBondContact O-N 3.44Å
6	K	56.6	Low	55.3	Low	146 Å²	146	96.1 Å²	96.1	64%	0.635	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-38.6	175.2	-74.8	-175.8	177.3	-171.3	0	112.9	L2 L4 F10	L2-K6 WeakPolarHBondContact O-CG 3.29Å; L2-K6 PolarHBondContact O-N 3.21Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.2Å; K6-F10 WeakPolarHBondContact O-CB 3.33Å; K6-F10 PolarHBondContact O-N 3.38Å
7	L	56.2	Low	55.6	Low	67 Å²	67	96.9 Å²	96.9	35%	0.351	50%	0.498	S	S	.	.	H	α-helix	trans	-69.5	-43.1	177.6	-170.4	72.1	0	0	0	111.7	R3 L4 T5 F10 V11 I75	R3-L7 PolarHBondContact O-N 2.94Å; R3-L7 VanDerWaalsContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 3.43Å; L4-L7 VanDerWaalsContact O-N 3.1Å; T5-L7 PolarHBondContact O-N 3.5Å; L7-F10 PolarHBondContact O-N 2.93Å; L7-V11 WeakPolarHBondContact O-CG2 3.22Å; L7-V11 PolarHBondContact O-N 2.82Å; L7-I75 HydrophobicContact CD1-CD1 4.41Å; L7-I75 HydrophobicContact CD2-CD1 4.2Å; L7-I75 HydrophobicContact CD2-CG2 4.02Å
8	T	54.5	Low	55.8	Low	69 Å²	69	93.3 Å²	93.3	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-42.9	176.5	-36.4	0	0	0	0	111.2	L4 T5 F10 V11 V12	L4-T8 PolarHBondContact O-N 2.9Å; L4-T8 PolarHBondContact O-OG1 3.43Å; T5-T8 PolarHBondContact O-N 2.98Å; T8-F10 VanDerWaalsContact C-N 3.34Å; T8-F10 PolarHBondContact O-N 2.87Å; T8-V11 PolarHBondContact O-N 3.47Å; T8-V12 WeakPolarHBondContact O-CB 3.45Å; T8-V12 VanDerWaalsContact O-CG2 3.26Å; T8-V12 WeakPolarHBondContact O-CG2 3.43Å; T8-V12 PolarHBondContact O-N 3.34Å
9	I	59.5	Low	56	Low	101 Å²	101	92.7 Å²	92.7	52%	0.518	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-45.4	174.5	-69.5	165	0	0	0	110.2	T5 V11 V12 S13	T5-I9 HydrophobicContact CG2-CD1 4.26Å; T5-I9 WeakPolarHBondContact O-CB 3.22Å; T5-I9 WeakPolarHBondContact O-CD1 3.17Å; T5-I9 WeakPolarHBondContact O-CG1 3.39Å; T5-I9 PolarHBondContact O-N 3.44Å; I9-V11 PolarHBondContact O-N 3.31Å; I9-V12 PolarHBondContact O-N 3.05Å; I9-S13 WeakPolarHBondContact O-CB 3.47Å; I9-S13 PolarHBondContact O-N 2.7Å; I9-S13 PolarHBondContact O-OG 2.77Å
10	F	63.1	Low	55.8	Low	130 Å²	130	94.5 Å²	94.5	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-60.6	-46.3	178.4	-177.9	-98.8	0	0	0	112.6	K6 L7 T8 S13 L14	K6-F10 WeakPolarHBondContact O-CB 3.33Å; K6-F10 PolarHBondContact O-N 3.38Å; L7-F10 PolarHBondContact O-N 2.93Å; T8-F10 VanDerWaalsContact C-N 3.34Å; T8-F10 PolarHBondContact O-N 2.87Å; F10-S13 PolarHBondContact O-N 2.71Å; F10-L14 HydrophobicContact CZ-CD1 4.48Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.29Å
11	V	59	Low	55.9	Low	34 Å²	34	93 Å²	93	21%	0.206	48%	0.475	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.4	173.3	0	0	0	0	111.1	L7 T8 I9 L14 C15 F89	L7-V11 WeakPolarHBondContact O-CG2 3.22Å; L7-V11 PolarHBondContact O-N 2.82Å; T8-V11 PolarHBondContact O-N 3.47Å; I9-V11 PolarHBondContact O-N 3.31Å; V11-L14 PolarHBondContact O-N 3.38Å; V11-C15 PolarHBondContact O-N 2.98Å; V11-C15 PolarHBondContact O-SG 2.96Å; V11-C15 VanDerWaalsContact O-SG 3.34Å; V11-F89 HydrophobicContact CG1-CE2 4.22Å
12	V	58.5	Low	56.5	Low	73 Å²	73	85.3 Å²	85.3	44%	0.442	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-45.1	177.3	171.9	0	0	0	0	110.9	T8 I9 L14 C15 V16	T8-V12 WeakPolarHBondContact O-CB 3.45Å; T8-V12 VanDerWaalsContact O-CG2 3.26Å; T8-V12 WeakPolarHBondContact O-CG2 3.43Å; T8-V12 PolarHBondContact O-N 3.34Å; I9-V12 PolarHBondContact O-N 3.05Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.4Å; V12-C15 PolarHBondContact O-N 2.82Å; V12-V16 HydrophobicContact CG1-CG2 4.31Å; V12-V16 WeakPolarHBondContact O-CB 3.32Å; V12-V16 VanDerWaalsContact O-CG2 3.24Å; V12-V16 WeakPolarHBondContact O-CG2 3.26Å; V12-V16 PolarHBondContact O-N 3.24Å
13	S	60.1	Low	56.9	Low	70 Å²	70	81.9 Å²	81.9	49%	0.49	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-38.7	176.1	-66.6	0	0	0	0	112.3	I9 F10 L17	I9-S13 WeakPolarHBondContact O-CB 3.47Å; I9-S13 PolarHBondContact O-N 2.7Å; I9-S13 PolarHBondContact O-OG 2.77Å; F10-S13 PolarHBondContact O-N 2.71Å; S13-L17 WeakPolarHBondContact O-CB 3.08Å; S13-L17 PolarHBondContact O-N 3.34Å
14	L	62	Low	57.1	Low	54 Å²	54	74.5 Å²	74.5	28%	0.283	41%	0.405	S	S	.	.	H	α-helix	trans	-69	-43.1	177.1	-153.3	82.2	0	0	0	111.7	F10 V11 V12 V16 L17 C18 L68	F10-L14 HydrophobicContact CZ-CD1 4.48Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.29Å; V11-L14 PolarHBondContact O-N 3.38Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.4Å; L14-V16 VanDerWaalsContact C-N 3.35Å; L14-V16 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 2.84Å; L14-C18 WeakPolarHBondContact O-CB 3.35Å; L14-C18 PolarHBondContact O-N 3.37Å; L14-C18 PolarHBondContact O-SG 2.84Å; L14-L68 HydrophobicContact CD2-CD1 3.8Å; L14-L68 HydrophobicContact CD2-CD2 3.72Å; L14-L68 HydrophobicContact CD2-CG 4.26Å
15	C	58.3	Low	57.2	Low	52 Å²	52	74 Å²	74	35%	0.351	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-42.3	174.7	-72	0	0	0	0	112	V11 V12 C18 F19	V11-C15 PolarHBondContact O-N 2.98Å; V11-C15 PolarHBondContact O-SG 2.96Å; V11-C15 VanDerWaalsContact O-SG 3.34Å; V12-C15 PolarHBondContact O-N 2.82Å; C15-C18 PolarHBondContact O-N 2.68Å; C15-F19 WeakPolarHBondContact O-CB 3.37Å; C15-F19 PolarHBondContact O-N 3.44Å
16	V	56.7	Low	57.1	Low	69 Å²	69	71.6 Å²	71.6	42%	0.418	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-43.2	176.1	171.4	0	0	0	0	110.8	V12 L14 F19 F20	V12-V16 HydrophobicContact CG1-CG2 4.31Å; V12-V16 WeakPolarHBondContact O-CB 3.32Å; V12-V16 VanDerWaalsContact O-CG2 3.24Å; V12-V16 WeakPolarHBondContact O-CG2 3.26Å; V12-V16 PolarHBondContact O-N 3.24Å; L14-V16 VanDerWaalsContact C-N 3.35Å; L14-V16 PolarHBondContact O-N 3.29Å; V16-F19 WeakPolarHBondContact O-CB 3.28Å; V16-F19 PolarHBondContact O-N 2.04Å; V16-F20 HydrophobicContact CG1-CD2 3.69Å; V16-F20 HydrophobicContact CG1-CE2 3.75Å; V16-F20 WeakPolarHBondContact O-CD2 3.22Å; V16-F20 PolarHBondContact O-N 2.68Å
17	L	60.6	Low	56.7	Low	109 Å²	109	67.7 Å²	67.7	57%	0.571	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-45.7	176	-172.9	69.9	0	0	0	111.4	S13 L14 F19 F20 V21	S13-L17 WeakPolarHBondContact O-CB 3.08Å; S13-L17 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 2.84Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.89Å; L17-F20 PolarHBondContact O-N 3.04Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.04Å; L17-V21 PolarHBondContact O-N 3.29Å
18	C	59.7	Low	56.3	Low	32 Å²	32	72 Å²	72	22%	0.216	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-39.2	175	-71.3	0	0	0	0	112	L14 C15 A22 Y96	L14-C18 WeakPolarHBondContact O-CB 3.35Å; L14-C18 PolarHBondContact O-N 3.37Å; L14-C18 PolarHBondContact O-SG 2.84Å; C15-C18 PolarHBondContact O-N 2.68Å; C18-A22 VanDerWaalsContact O-CB 3.29Å; C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 2.77Å; C18-Y96 HydrophobicContact CB-CE2 4.29Å
19	F	58.6	Low	56	Low	83 Å²	83	72 Å²	72	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-48.6	174.5	178.8	-96.6	0	0	0	112	C15 V16 L17 V21 A22 V23 I99	C15-F19 WeakPolarHBondContact O-CB 3.37Å; C15-F19 PolarHBondContact O-N 3.44Å; V16-F19 WeakPolarHBondContact O-CB 3.28Å; V16-F19 PolarHBondContact O-N 2.04Å; L17-F19 VanDerWaalsContact C-N 3.29Å; L17-F19 PolarHBondContact O-N 2.89Å; F19-V21 PolarHBondContact O-N 3.16Å; F19-A22 WeakPolarHBondContact O-CB 3.24Å; F19-A22 PolarHBondContact O-N 3.4Å; F19-V23 HydrophobicContact CD1-CG2 4.16Å; F19-V23 HydrophobicContact CE1-CG2 3.78Å; F19-V23 HydrophobicContact CE2-CG2 4.22Å; F19-V23 HydrophobicContact CZ-CG2 3.81Å; F19-V23 WeakPolarHBondContact O-CG2 3.4Å; F19-V23 PolarHBondContact O-N 3.35Å; F19-I99 HydrophobicContact CD2-CD1 4.04Å; F19-I99 HydrophobicContact CD2-CG2 3.88Å; F19-I99 HydrophobicContact CE2-CD1 3.92Å; F19-I99 HydrophobicContact CE2-CG1 4.42Å; F19-I99 HydrophobicContact CE2-CG2 3.74Å
20	F	53.4	Low	55.3	Low	127 Å²	127	70.5 Å²	70.5	56%	0.557	39%	0.39	S	S	*	.	H	α-helix	trans	-62.6	-41.2	178.1	-90.6	-78.2	0	0	0	112.3	V16 L17 V23 V24	V16-F20 HydrophobicContact CG1-CD2 3.69Å; V16-F20 HydrophobicContact CG1-CE2 3.75Å; V16-F20 WeakPolarHBondContact O-CD2 3.22Å; V16-F20 PolarHBondContact O-N 2.68Å; L17-F20 PolarHBondContact O-N 3.04Å; F20-V23 PolarHBondContact O-N 3.44Å; F20-V24 WeakPolarHBondContact O-CB 3.5Å; F20-V24 VanDerWaalsContact O-CG2 3.27Å; F20-V24 WeakPolarHBondContact O-CG2 3.47Å; F20-V24 PolarHBondContact O-N 2.88Å
21	V	56.7	Low	54.4	Low	63 Å²	63	72.4 Å²	72.4	38%	0.382	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.4	174.2	0	0	0	0	110.7	L17 F19 V24 L25 F61	L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.04Å; L17-V21 PolarHBondContact O-N 3.29Å; F19-V21 PolarHBondContact O-N 3.16Å; V21-V24 PolarHBondContact O-N 2.9Å; V21-L25 HydrophobicContact CG1-CD1 3.79Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CB 3.35Å; V21-L25 VanDerWaalsContact O-CG 3.27Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-F61 HydrophobicContact CG1-CZ 3.97Å
22	A	56.7	Low	53.6	Low	20 Å²	20	76.3 Å²	76.3	17%	0.165	43%	0.425	C	S	.	.	H	α-helix	trans	-61.7	-43.9	175.7	0	0	0	0	0	112	C18 F19 L25 V26 L103	C18-A22 VanDerWaalsContact O-CB 3.29Å; C18-A22 WeakPolarHBondContact O-CB 3.48Å; C18-A22 PolarHBondContact O-N 2.77Å; F19-A22 WeakPolarHBondContact O-CB 3.24Å; F19-A22 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3.25Å; A22-V26 WeakPolarHBondContact O-CB 3.42Å; A22-V26 VanDerWaalsContact O-CG2 3.32Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 3.35Å; A22-L103 HydrophobicContact CB-CD2 3.84Å
23	V	53.2	Low	53.1	Low	61 Å²	61	75.3 Å²	75.3	37%	0.37	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-42.7	176.2	171.3	0	0	0	0	111.8	F19 F20 V26 S27	F19-V23 HydrophobicContact CD1-CG2 4.16Å; F19-V23 HydrophobicContact CE1-CG2 3.78Å; F19-V23 HydrophobicContact CE2-CG2 4.22Å; F19-V23 HydrophobicContact CZ-CG2 3.81Å; F19-V23 WeakPolarHBondContact O-CG2 3.4Å; F19-V23 PolarHBondContact O-N 3.35Å; F20-V23 PolarHBondContact O-N 3.44Å; V23-V26 PolarHBondContact O-N 3.01Å; V23-S27 WeakPolarHBondContact O-CB 3.41Å; V23-S27 PolarHBondContact O-N 2.93Å; V23-S27 PolarHBondContact O-OG 2.89Å
24	V	52.1	Low	52.4	Low	72 Å²	72	75.9 Å²	75.9	44%	0.436	42%	0.422	S	S	.	.	H	α-helix	trans	-68.3	-37.2	178.2	170.9	0	0	0	0	111.8	F20 V21 S27 K28	F20-V24 WeakPolarHBondContact O-CB 3.5Å; F20-V24 VanDerWaalsContact O-CG2 3.27Å; F20-V24 WeakPolarHBondContact O-CG2 3.47Å; F20-V24 PolarHBondContact O-N 2.88Å; V21-V24 PolarHBondContact O-N 2.9Å; V24-S27 WeakPolarHBondContact CA-OG 3.39Å; V24-S27 PolarHBondContact O-OG 3.44Å; V24-K28 WeakPolarHBondContact O-CG 3.48Å; V24-K28 PolarHBondContact O-N 2.86Å
25	L	53.1	Low	51.6	Low	45 Å²	45	77.9 Å²	77.9	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-65.4	-45.3	173.8	-75	167.6	0	0	0	110.6	V21 A22 S27 K28 L29 F61	V21-L25 HydrophobicContact CG1-CD1 3.79Å; V21-L25 HydrophobicContact CG1-CG 4.36Å; V21-L25 WeakPolarHBondContact O-CB 3.35Å; V21-L25 VanDerWaalsContact O-CG 3.27Å; V21-L25 WeakPolarHBondContact O-CG 3.3Å; V21-L25 PolarHBondContact O-N 3.44Å; A22-L25 PolarHBondContact O-N 3.25Å; L25-S27 PolarHBondContact O-N 2.81Å; L25-K28 PolarHBondContact O-N 2.98Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CD1 3.42Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 3.23Å; L25-F61 HydrophobicContact CD1-CE2 3.85Å; L25-F61 HydrophobicContact CD1-CZ 4.13Å
26	V	51	Low	51.1	Low	27 Å²	27	78.4 Å²	78.4	16%	0.164	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-39.6	176.1	171.4	0	0	0	0	112.4	A22 V23 L29 S30 L103 L107	A22-V26 WeakPolarHBondContact O-CB 3.42Å; A22-V26 VanDerWaalsContact O-CG2 3.32Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 3.35Å; V23-V26 PolarHBondContact O-N 3.01Å; V26-L29 PolarHBondContact O-N 2.56Å; V26-S30 WeakPolarHBondContact O-CB 3.11Å; V26-S30 PolarHBondContact O-N 3.46Å; V26-S30 VanDerWaalsContact O-N 3.07Å; V26-S30 PolarHBondContact O-OG 3.29Å; V26-L103 HydrophobicContact CB-CD1 4.23Å; V26-L103 HydrophobicContact CG1-CD1 4.4Å; V26-L103 HydrophobicContact CG2-CD1 3.49Å; V26-L103 VanDerWaalsContact CG2-CD1 3.49Å; V26-L103 HydrophobicContact CG2-CD2 3.8Å; V26-L103 HydrophobicContact CG2-CG 3.59Å; V26-L107 HydrophobicContact CG2-CD1 4.1Å; V26-L107 HydrophobicContact CG2-CD2 4.03Å; V26-L107 HydrophobicContact CG2-CG 4.06Å
27	S	48.5	Very low	50.6	Low	63 Å²	63	83.9 Å²	83.9	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-67.7	-38.7	178.5	68.2	0	0	0	0	112.4	V23 V24 L25 L29 S30	V23-S27 WeakPolarHBondContact O-CB 3.41Å; V23-S27 PolarHBondContact O-N 2.93Å; V23-S27 PolarHBondContact O-OG 2.89Å; V24-S27 WeakPolarHBondContact CA-OG 3.39Å; V24-S27 PolarHBondContact O-OG 3.44Å; L25-S27 PolarHBondContact O-N 2.81Å; S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 2.91Å; S27-S30 PolarHBondContact O-N 3.19Å
28	K	47.8	Very low	49.9	Very low	157 Å²	157	82.3 Å²	82.3	68%	0.683	45%	0.451	S	S	*	.	H	α-helix	trans	-67.5	-27.9	172.9	-75.6	-168.9	174.4	-174	0	113.2	V24 L25	V24-K28 WeakPolarHBondContact O-CG 3.48Å; V24-K28 PolarHBondContact O-N 2.86Å; L25-K28 PolarHBondContact O-N 2.98Å
29	L	46.9	Very low	49.1	Very low	71 Å²	71	91.2 Å²	91.2	37%	0.372	48%	0.48	S	S	.	.	H	α-helix	trans	-81	-14.4	175.5	-68.9	165.3	0	0	0	113.5	L25 V26 S27 L107	L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CD1 3.42Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 3.23Å; V26-L29 PolarHBondContact O-N 2.56Å; S27-L29 VanDerWaalsContact C-N 3.28Å; S27-L29 PolarHBondContact O-N 2.91Å; L29-L107 HydrophobicContact CD1-CD2 3.88Å
30	S	46.5	Very low	48.5	Very low	69 Å²	69	93.5 Å²	93.5	48%	0.483	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.7	-174	-58.9	0	0	0	0	115	V26 S27	V26-S30 WeakPolarHBondContact O-CB 3.11Å; V26-S30 PolarHBondContact O-N 3.46Å; V26-S30 VanDerWaalsContact O-N 3.07Å; V26-S30 PolarHBondContact O-OG 3.29Å; S27-S30 PolarHBondContact O-N 3.19Å
31	F	43.2	Very low	48.1	Very low	170 Å²	170	98.7 Å²	98.7	75%	0.746	51%	0.507	S	S	*	.			trans	-67.9	126	177.1	-89.4	-84.1	0	0	0	111	A33	F31-A33 PolarHBondContact O-N 2.78Å; F31-A33 VanDerWaalsContact O-N 3.09Å
32	P	42.8	Very low	47.6	Very low	116 Å²	116	102 Å²	102	75%	0.753	52%	0.523	S	S	*	.			trans	-69.3	112	179.2	27.4	-30.3	0	0	0	108.6	D34	P32-D34 PolarHBondContact O-N 3.44Å
33	A	47.1	Very low	47.4	Very low	51 Å²	51	102.8 Å²	102.8	42%	0.421	53%	0.525	S	S	.	.			trans	-65.4	121.9	159.4	0	0	0	0	0	107	F31 L38	F31-A33 PolarHBondContact O-N 2.78Å; F31-A33 VanDerWaalsContact O-N 3.09Å; A33-L38 HydrophobicContact CB-CD1 3.95Å; A33-L38 HydrophobicContact CB-CD2 4.04Å; A33-L38 HydrophobicContact CB-CG 3.96Å; A33-L38 WeakPolarHBondContact O-CD1 3.14Å
34	D	45.2	Very low	47	Very low	83 Å²	83	101.8 Å²	101.8	44%	0.444	52%	0.52	S	S	.	.			trans	-41.5	120.8	176.4	178.3	-2.8	0	0	0	110.8	P32 A36 R37 L38	P32-D34 PolarHBondContact O-N 3.44Å; D34-A36 PolarHBondContact O-N 2.79Å; D34-A36 WeakPolarHBondContact OD1-CB 3.12Å; D34-A36 PolarHBondContact OD1-N 3.07Å; D34-R37 HydrophobicContact CB-CB 4.43Å; D34-R37 HydrophobicContact CB-CG 4.27Å; D34-R37 PolarHBondContact O-N 3.42Å; D34-L38 PolarHBondContact O-N 3.03Å
35	P	45.9	Very low	46.8	Very low	96 Å²	96	107.7 Å²	107.7	62%	0.623	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	178.9	-24.9	32.4	0	0	0	114
36	A	48.4	Very low	46.6	Very low	63 Å²	63	109.9 Å²	109.9	52%	0.521	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-37.8	175	0	0	0	0	0	112.7	D34	D34-A36 PolarHBondContact O-N 2.79Å; D34-A36 WeakPolarHBondContact OD1-CB 3.12Å; D34-A36 PolarHBondContact OD1-N 3.07Å
37	R	45.8	Very low	46.7	Very low	183 Å²	183	111 Å²	111	69%	0.691	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-76.4	-25.1	-180	-69.7	-173.7	-176.8	-164.7	-0.4	113.4	D34 R39 N43	D34-R37 HydrophobicContact CB-CB 4.43Å; D34-R37 HydrophobicContact CB-CG 4.27Å; D34-R37 PolarHBondContact O-N 3.42Å; R37-R39 VanDerWaalsContact C-N 3.27Å; R37-R39 PolarHBondContact O-N 2.99Å; R37-N43 PolarHBondContact O-ND2 2.95Å
38	L	45.3	Very low	46.8	Very low	77 Å²	77	112 Å²	112	40%	0.403	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-73.3	-11.5	-178.8	-75	168.1	0	0	0	114.6	A33 D34 E40 I47	A33-L38 HydrophobicContact CB-CD1 3.95Å; A33-L38 HydrophobicContact CB-CD2 4.04Å; A33-L38 HydrophobicContact CB-CG 3.96Å; A33-L38 WeakPolarHBondContact O-CD1 3.14Å; D34-L38 PolarHBondContact O-N 3.03Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 3.15Å; L38-I47 HydrophobicContact CD2-CD1 4.18Å
39	R	43.6	Very low	47.1	Very low	219 Å²	219	107.2 Å²	107.2	83%	0.826	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-75.4	-13.1	179.4	-92.9	-176	-109.4	-154	-2.3	114.6	R37	R37-R39 VanDerWaalsContact C-N 3.27Å; R37-R39 PolarHBondContact O-N 2.99Å
40	E	44.6	Very low	47.4	Very low	130 Å²	130	111 Å²	111	61%	0.607	55%	0.548	S	S	*	.	S	Bend	trans	-77.1	130.7	179.5	-70.2	-179.2	176.8	0	0	111.9	L38 N42 N43	L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 3.15Å; E40-N42 PolarHBondContact O-N 3.41Å; E40-N43 PolarHBondContact O-N 3.28Å
41	R	46.5	Very low	47.7	Very low	236 Å²	236	110.3 Å²	110.3	89%	0.891	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-17.5	-176.5	-132.2	-179.2	-173.7	-171.1	2.4	114.6
42	N	46.2	Very low	48.3	Very low	133 Å²	133	106.9 Å²	106.9	71%	0.711	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19	179.6	-79.6	-13.3	0	0	0	114.3	E40 S44	E40-N42 PolarHBondContact O-N 3.41Å; N42-S44 PolarHBondContact O-N 2.83Å
43	N	51	Low	49	Very low	37 Å²	37	105.9 Å²	105.9	20%	0.198	51%	0.514	C	S	.	.	H	α-helix	trans	-82.8	-10.1	-176	-74.7	-26.2	0	0	0	114	R37 E40 W45 M46 I47	R37-N43 PolarHBondContact O-ND2 2.95Å; E40-N43 PolarHBondContact O-N 3.28Å; N43-W45 PolarHBondContact O-N 2.86Å; N43-M46 WeakPolarHBondContact O-CB 3.35Å; N43-M46 PolarHBondContact O-N 3.07Å; N43-I47 PolarHBondContact O-N 3.16Å
44	S	46	Very low	49.3	Very low	39 Å²	39	104.3 Å²	104.3	27%	0.273	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-39.5	178.9	-41	0	0	0	0	112.5	N42 M46 I47 L48	N42-S44 PolarHBondContact O-N 2.83Å; S44-M46 VanDerWaalsContact C-N 3.34Å; S44-I47 PolarHBondContact O-N 2.87Å; S44-L48 PolarHBondContact O-N 3.12Å; S44-L48 VanDerWaalsContact O-N 3.17Å
45	W	48.3	Very low	49.8	Very low	197 Å²	197	105.1 Å²	105.1	75%	0.746	50%	0.5	S	S	*	.	H	α-helix	trans	-68.6	-32.9	175.5	-72.7	117	0	0	0	112.4	N43 I47 L48 A49	N43-W45 PolarHBondContact O-N 2.86Å; W45-I47 VanDerWaalsContact C-N 3.34Å; W45-I47 PolarHBondContact O-N 3.16Å; W45-L48 HydrophobicContact CE3-CD1 4.25Å; W45-L48 HydrophobicContact CZ3-CD1 4.32Å; W45-L48 PolarHBondContact O-N 3.45Å; W45-A49 WeakPolarHBondContact O-CB 3.41Å; W45-A49 PolarHBondContact O-N 3.39Å
46	M	48.3	Very low	50.5	Low	91 Å²	91	106.4 Å²	106.4	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175.2	-80.4	179.6	58.8	0	0	112.1	N43 S44 R50	N43-M46 WeakPolarHBondContact O-CB 3.35Å; N43-M46 PolarHBondContact O-N 3.07Å; S44-M46 VanDerWaalsContact C-N 3.34Å; M46-R50 WeakPolarHBondContact O-CB 3.39Å; M46-R50 WeakPolarHBondContact O-CD 3.29Å; M46-R50 WeakPolarHBondContact O-CG 3.33Å; M46-R50 PolarHBondContact O-N 3.37Å
47	I	52.2	Low	50.8	Low	49 Å²	49	106.6 Å²	106.6	25%	0.251	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-47.6	176.4	-62.3	171.7	0	0	0	110.2	L38 N43 S44 W45 A49 R50 L51 Y114	L38-I47 HydrophobicContact CD2-CD1 4.18Å; N43-I47 PolarHBondContact O-N 3.16Å; S44-I47 PolarHBondContact O-N 2.87Å; W45-I47 VanDerWaalsContact C-N 3.34Å; W45-I47 PolarHBondContact O-N 3.16Å; I47-A49 PolarHBondContact O-N 2.52Å; I47-R50 PolarHBondContact O-N 2.82Å; I47-L51 HydrophobicContact CG2-CD1 4.17Å; I47-L51 HydrophobicContact CG2-CG 4.48Å; I47-L51 VanDerWaalsContact O-CG 3.31Å; I47-L51 WeakPolarHBondContact O-CG 3.22Å; I47-L51 PolarHBondContact O-N 3.25Å; I47-Y114 HydrophobicContact CD1-CG 4.45Å
48	L	51.6	Low	51.3	Low	85 Å²	85	100.1 Å²	100.1	45%	0.445	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-42	176.1	-88.2	159.8	0	0	0	112.8	S44 W45 R50 L51 L52	S44-L48 PolarHBondContact O-N 3.12Å; S44-L48 VanDerWaalsContact O-N 3.17Å; W45-L48 HydrophobicContact CE3-CD1 4.25Å; W45-L48 HydrophobicContact CZ3-CD1 4.32Å; W45-L48 PolarHBondContact O-N 3.45Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.89Å; L48-L51 WeakPolarHBondContact O-CB 3.28Å; L48-L51 PolarHBondContact O-N 3.01Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.26Å
49	A	53.8	Low	51.9	Low	57 Å²	57	101.6 Å²	101.6	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-41	175.3	0	0	0	0	0	111.4	W45 I47 L52 E53	W45-A49 WeakPolarHBondContact O-CB 3.41Å; W45-A49 PolarHBondContact O-N 3.39Å; I47-A49 PolarHBondContact O-N 2.52Å; A49-L52 PolarHBondContact O-N 3.47Å; A49-E53 WeakPolarHBondContact O-CB 3.01Å; A49-E53 PolarHBondContact O-N 2.04Å
50	R	52.6	Low	52.7	Low	149 Å²	149	97.5 Å²	97.5	56%	0.562	46%	0.455	S	S	*	.	H	α-helix	trans	-66.8	-37.1	175.3	-74.5	171.8	-177.9	-163.9	0.7	112.5	M46 I47 L48 E53 T54	M46-R50 WeakPolarHBondContact O-CB 3.39Å; M46-R50 WeakPolarHBondContact O-CD 3.29Å; M46-R50 WeakPolarHBondContact O-CG 3.33Å; M46-R50 PolarHBondContact O-N 3.37Å; I47-R50 PolarHBondContact O-N 2.82Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.89Å; R50-E53 PolarHBondContact O-N 3.01Å; R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 PolarHBondContact O-N 2.81Å; R50-T54 PolarHBondContact O-OG1 3.18Å
51	L	54.2	Low	53.2	Low	56 Å²	56	93.6 Å²	93.6	29%	0.293	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-48.3	173.3	-73.5	169.9	0	0	0	111.6	I47 L48 E53 T54 Q55 Q111	I47-L51 HydrophobicContact CG2-CD1 4.17Å; I47-L51 HydrophobicContact CG2-CG 4.48Å; I47-L51 VanDerWaalsContact O-CG 3.31Å; I47-L51 WeakPolarHBondContact O-CG 3.22Å; I47-L51 PolarHBondContact O-N 3.25Å; L48-L51 WeakPolarHBondContact O-CB 3.28Å; L48-L51 PolarHBondContact O-N 3.01Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.31Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.71Å; L51-Q55 PolarHBondContact O-N 3.24Å; L51-Q111 HydrophobicContact CD2-CG 4.32Å
52	L	55.8	Low	53.6	Low	98 Å²	98	85 Å²	85	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-40.1	176.8	-74.8	166.6	0	0	0	111.6	L48 A49 Q55 K56	L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.26Å; A49-L52 PolarHBondContact O-N 3.47Å; L52-Q55 PolarHBondContact O-N 2.99Å; L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 3.34Å
53	E	57.6	Low	54.4	Low	95 Å²	95	84.5 Å²	84.5	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-67.2	-39.6	176	-165.6	58.5	-153.1	0	0	111.9	A49 R50 L51 Q55 K56 Q57	A49-E53 WeakPolarHBondContact O-CB 3.01Å; A49-E53 PolarHBondContact O-N 2.04Å; R50-E53 PolarHBondContact O-N 3.01Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.31Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.43Å; E53-K56 PolarHBondContact O-N 3.33Å; E53-K56 IonicContact OE2-NZ 3.88Å; E53-Q57 WeakPolarHBondContact O-CG 3.34Å; E53-Q57 PolarHBondContact O-N 2.81Å
54	T	53.4	Low	54.8	Low	17 Å²	17	86.8 Å²	86.8	10%	0.104	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-43.3	173.9	-52.6	0	0	0	0	110.7	R50 L51 K56 Q57 L58	R50-T54 WeakPolarHBondContact O-CB 3.49Å; R50-T54 PolarHBondContact O-N 2.81Å; R50-T54 PolarHBondContact O-OG1 3.18Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.71Å; T54-K56 PolarHBondContact O-N 2.88Å; T54-Q57 PolarHBondContact O-N 2.75Å; T54-L58 HydrophobicContact CG2-CD1 3.96Å; T54-L58 WeakPolarHBondContact O-CD1 3.28Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.42Å; T54-L58 PolarHBondContact O-N 2.73Å
55	Q	54.2	Low	55.1	Low	101 Å²	101	86.8 Å²	86.8	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-59.8	-45.7	175.5	-174.9	-175.8	-25.8	0	0	111.8	L51 L52 E53 Q57 L58 E59	L51-Q55 PolarHBondContact O-N 3.24Å; L52-Q55 PolarHBondContact O-N 2.99Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.43Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.14Å; Q55-L58 WeakPolarHBondContact O-CB 3.26Å; Q55-L58 PolarHBondContact O-N 2.94Å; Q55-E59 PolarHBondContact NE2-OE1 2.92Å; Q55-E59 WeakPolarHBondContact O-CG 3.33Å; Q55-E59 PolarHBondContact O-N 3.4Å
56	K	60.6	Low	55.5	Low	122 Å²	122	82.4 Å²	82.4	53%	0.53	40%	0.4	S	S	.	.	H	α-helix	trans	-59.9	-41.7	176.3	-72.5	175.4	-173.3	170.8	0	112.5	L52 E53 T54 L58 E59 Y60	L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 3.34Å; E53-K56 PolarHBondContact O-N 3.33Å; E53-K56 IonicContact OE2-NZ 3.88Å; T54-K56 PolarHBondContact O-N 2.88Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-E59 PolarHBondContact O-N 3.16Å; K56-Y60 PolarHBondContact O-N 3.22Å
57	Q	55.7	Low	56.1	Low	68 Å²	68	82.5 Å²	82.5	32%	0.318	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-41	176.5	-71.3	-168.3	-11	0	0	111.4	E53 T54 Q55 Y60 F61	E53-Q57 WeakPolarHBondContact O-CG 3.34Å; E53-Q57 PolarHBondContact O-N 2.81Å; T54-Q57 PolarHBondContact O-N 2.75Å; Q55-Q57 VanDerWaalsContact C-N 3.33Å; Q55-Q57 PolarHBondContact O-N 3.14Å; Q57-Y60 WeakPolarHBondContact O-CB 3.34Å; Q57-Y60 PolarHBondContact O-N 2.84Å; Q57-F61 WeakPolarHBondContact O-CD2 3.27Å; Q57-F61 PolarHBondContact O-N 3.03Å
58	L	55.5	Low	56.3	Low	46 Å²	46	82.6 Å²	82.6	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-41.2	176	-70.4	160.5	0	0	0	112	T54 Q55 K56 Y60 F61 S62 Y104	T54-L58 HydrophobicContact CG2-CD1 3.96Å; T54-L58 WeakPolarHBondContact O-CD1 3.28Å; T54-L58 VanDerWaalsContact O-CG 3.27Å; T54-L58 WeakPolarHBondContact O-CG 3.42Å; T54-L58 PolarHBondContact O-N 2.73Å; Q55-L58 WeakPolarHBondContact O-CB 3.26Å; Q55-L58 PolarHBondContact O-N 2.94Å; K56-L58 VanDerWaalsContact C-N 3.34Å; L58-Y60 VanDerWaalsContact C-N 3.35Å; L58-F61 PolarHBondContact O-N 3.25Å; L58-S62 WeakPolarHBondContact O-CB 3.39Å; L58-S62 PolarHBondContact O-N 3.35Å; L58-Y104 HydrophobicContact CB-CE1 4.48Å; L58-Y104 HydrophobicContact CD1-CD1 4.33Å; L58-Y104 HydrophobicContact CD1-CE1 3.65Å; L58-Y104 HydrophobicContact CD2-CD1 4.3Å; L58-Y104 HydrophobicContact CD2-CE1 3.46Å; L58-Y104 VanDerWaalsContact CD2-CE1 3.46Å; L58-Y104 HydrophobicContact CD2-CE2 4.15Å; L58-Y104 WeakPolarHBondContact CD2-OH 3.37Å; L58-Y104 HydrophobicContact CG-CE1 4.01Å
59	E	57.9	Low	56.5	Low	109 Å²	109	82.5 Å²	82.5	51%	0.509	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-44.4	173	-74.8	172.4	-170.5	0	0	111.3	Q55 K56 S62 Q63	Q55-E59 PolarHBondContact NE2-OE1 2.92Å; Q55-E59 WeakPolarHBondContact O-CG 3.33Å; Q55-E59 PolarHBondContact O-N 3.4Å; K56-E59 PolarHBondContact O-N 3.16Å; E59-S62 PolarHBondContact O-N 3.31Å; E59-Q63 WeakPolarHBondContact O-CB 3.42Å; E59-Q63 PolarHBondContact O-N 3.45Å
60	Y	61.2	Low	56.7	Low	133 Å²	133	84.4 Å²	84.4	52%	0.522	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-46.2	174.5	175.6	-97.2	0	0	0	112.4	K56 Q57 L58 Q63 K64	K56-Y60 PolarHBondContact O-N 3.22Å; Q57-Y60 WeakPolarHBondContact O-CB 3.34Å; Q57-Y60 PolarHBondContact O-N 2.84Å; L58-Y60 VanDerWaalsContact C-N 3.35Å; Y60-Q63 PolarHBondContact O-N 3.37Å; Y60-K64 HydrophobicContact CE1-CG 4.08Å; Y60-K64 HydrophobicContact CE2-CG 4.33Å; Y60-K64 PolarHBondContact O-N 2.95Å; Y60-K64 WeakPolarHBondContact OH-CE 3.48Å
61	F	54.6	Low	56.9	Low	47 Å²	47	83.3 Å²	83.3	21%	0.206	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-41.9	177.5	-85.7	-70.6	0	0	0	112.3	V21 L25 Q57 L58 K64 T65	V21-F61 HydrophobicContact CG1-CZ 3.97Å; L25-F61 HydrophobicContact CD1-CE2 3.85Å; L25-F61 HydrophobicContact CD1-CZ 4.13Å; Q57-F61 WeakPolarHBondContact O-CD2 3.27Å; Q57-F61 PolarHBondContact O-N 3.03Å; L58-F61 PolarHBondContact O-N 3.25Å; F61-K64 PolarHBondContact O-N 2.88Å; F61-T65 WeakPolarHBondContact O-CB 3.11Å; F61-T65 PolarHBondContact O-N 3.3Å; F61-T65 PolarHBondContact O-OG1 2.67Å
62	S	56.2	Low	56.7	Low	57 Å²	57	82.5 Å²	82.5	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-46.3	176.1	-177	0	0	0	0	111.2	L58 E59 K64 T65 H66	L58-S62 WeakPolarHBondContact O-CB 3.39Å; L58-S62 PolarHBondContact O-N 3.35Å; E59-S62 PolarHBondContact O-N 3.31Å; S62-K64 PolarHBondContact O-N 3.38Å; S62-T65 WeakPolarHBondContact O-CB 3.04Å; S62-T65 PolarHBondContact O-N 2.62Å; S62-T65 VanDerWaalsContact O-N 3.16Å; S62-H66 PolarHBondContact O-CD2 3.17Å; S62-H66 PolarHBondContact O-N 2.9Å
63	Q	61.6	Low	56.6	Low	121 Å²	121	84 Å²	84	57%	0.565	40%	0.4	S	S	*	.	H	α-helix	trans	-60.9	-42.9	176.6	-169.4	179.5	12.3	0	0	112.1	E59 Y60 T65 H66 Q67	E59-Q63 WeakPolarHBondContact O-CB 3.42Å; E59-Q63 PolarHBondContact O-N 3.45Å; Y60-Q63 PolarHBondContact O-N 3.37Å; Q63-T65 VanDerWaalsContact C-N 3.34Å; Q63-H66 PolarHBondContact O-N 3.3Å; Q63-Q67 WeakPolarHBondContact O-CG 2.92Å; Q63-Q67 PolarHBondContact O-N 3.16Å
64	K	59.6	Low	56.4	Low	85 Å²	85	85.6 Å²	85.6	37%	0.37	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174.9	-80.5	-72	176.1	-164	0	112.3	Y60 F61 S62 Q67 L68	Y60-K64 HydrophobicContact CE1-CG 4.08Å; Y60-K64 HydrophobicContact CE2-CG 4.33Å; Y60-K64 PolarHBondContact O-N 2.95Å; Y60-K64 WeakPolarHBondContact OH-CE 3.48Å; F61-K64 PolarHBondContact O-N 2.88Å; S62-K64 PolarHBondContact O-N 3.38Å; K64-Q67 PolarHBondContact O-N 3.01Å; K64-L68 PolarHBondContact O-N 3.01Å
65	T	53.2	Low	56.3	Low	40 Å²	40	87.7 Å²	87.7	25%	0.245	42%	0.418	C	S	.	.	H	α-helix	trans	-64.8	-42.3	177.9	-52.9	0	0	0	0	111	F61 S62 Q63 L68 Q69	F61-T65 WeakPolarHBondContact O-CB 3.11Å; F61-T65 PolarHBondContact O-N 3.3Å; F61-T65 PolarHBondContact O-OG1 2.67Å; S62-T65 WeakPolarHBondContact O-CB 3.04Å; S62-T65 PolarHBondContact O-N 2.62Å; S62-T65 VanDerWaalsContact O-N 3.16Å; Q63-T65 VanDerWaalsContact C-N 3.34Å; T65-L68 WeakPolarHBondContact O-CB 3.41Å; T65-L68 PolarHBondContact O-N 3.05Å; T65-Q69 WeakPolarHBondContact O-CG 3.4Å; T65-Q69 PolarHBondContact O-N 3.27Å
66	H	55.9	Low	55.8	Low	105 Å²	105	87.1 Å²	87.1	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-43.5	173.2	-82.6	-58.7	0	0	0	112.7	S62 Q63 L68 Q69 D70	S62-H66 PolarHBondContact O-CD2 3.17Å; S62-H66 PolarHBondContact O-N 2.9Å; Q63-H66 PolarHBondContact O-N 3.3Å; H66-L68 VanDerWaalsContact C-N 3.27Å; H66-L68 PolarHBondContact O-N 3.01Å; H66-Q69 PolarHBondContact ND1-OE1 3.43Å; H66-Q69 PolarHBondContact O-N 3.47Å; H66-D70 PolarHBondContact O-N 3.07Å
67	Q	60.9	Low	55.2	Low	92 Å²	92	87 Å²	87	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-57.5	-42.2	173.9	-75.9	-179.3	-16.8	0	0	111.8	Q63 K64 D70 Q71	Q63-Q67 WeakPolarHBondContact O-CG 2.92Å; Q63-Q67 PolarHBondContact O-N 3.16Å; K64-Q67 PolarHBondContact O-N 3.01Å; Q67-D70 PolarHBondContact O-N 3.31Å; Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 3.49Å
68	L	55.8	Low	54.8	Low	52 Å²	52	94.6 Å²	94.6	27%	0.272	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.4	-98.7	136	0	0	0	112.1	L14 K64 T65 H66 D70 Q71 V72	L14-L68 HydrophobicContact CD2-CD1 3.8Å; L14-L68 HydrophobicContact CD2-CD2 3.72Å; L14-L68 HydrophobicContact CD2-CG 4.26Å; K64-L68 PolarHBondContact O-N 3.01Å; T65-L68 WeakPolarHBondContact O-CB 3.41Å; T65-L68 PolarHBondContact O-N 3.05Å; H66-L68 VanDerWaalsContact C-N 3.27Å; H66-L68 PolarHBondContact O-N 3.01Å; L68-D70 VanDerWaalsContact C-N 3.34Å; L68-D70 PolarHBondContact O-N 3.49Å; L68-Q71 PolarHBondContact O-N 3.28Å; L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.47Å; L68-V72 PolarHBondContact O-N 3.39Å
69	Q	55.5	Low	54.4	Low	83 Å²	83	95.7 Å²	95.7	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-60.5	-42.4	176.1	-77.1	179.4	-23	0	0	112.1	T65 H66 V72 K73	T65-Q69 WeakPolarHBondContact O-CG 3.4Å; T65-Q69 PolarHBondContact O-N 3.27Å; H66-Q69 PolarHBondContact ND1-OE1 3.43Å; H66-Q69 PolarHBondContact O-N 3.47Å; Q69-V72 PolarHBondContact O-N 3.31Å; Q69-K73 PolarHBondContact O-N 3.39Å
70	D	58.2	Low	53.6	Low	96 Å²	96	101.2 Å²	101.2	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-41.7	177.4	-72.3	-21.8	0	0	0	111.5	H66 Q67 L68 V72 K73 Q74	H66-D70 PolarHBondContact O-N 3.07Å; Q67-D70 PolarHBondContact O-N 3.31Å; L68-D70 VanDerWaalsContact C-N 3.34Å; L68-D70 PolarHBondContact O-N 3.49Å; D70-V72 VanDerWaalsContact C-N 3.3Å; D70-V72 PolarHBondContact O-N 3.49Å; D70-K73 PolarHBondContact O-N 3.32Å; D70-Q74 WeakPolarHBondContact O-CG 3.3Å; D70-Q74 PolarHBondContact O-N 3.23Å; D70-Q74 VanDerWaalsContact O-N 3.09Å
71	Q	56.6	Low	53.1	Low	126 Å²	126	98.4 Å²	98.4	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-61.5	-38.6	173.4	-75.7	-179	-22.4	0	0	112.2	Q67 L68 Q74 I75	Q67-Q71 WeakPolarHBondContact O-CG 3.41Å; Q67-Q71 PolarHBondContact O-N 3.49Å; L68-Q71 PolarHBondContact O-N 3.28Å; Q71-Q74 PolarHBondContact O-N 3.07Å; Q71-I75 WeakPolarHBondContact O-CD1 3.49Å; Q71-I75 WeakPolarHBondContact O-CG1 3.45Å; Q71-I75 PolarHBondContact O-N 3.25Å
72	V	51.5	Low	52.9	Low	39 Å²	39	101.4 Å²	101.4	24%	0.236	49%	0.492	C	S	.	.	H	α-helix	trans	-67.5	-43	176.5	169.7	0	0	0	0	111.5	L68 Q69 D70 Q74 I75 E76 F89	L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.47Å; L68-V72 PolarHBondContact O-N 3.39Å; Q69-V72 PolarHBondContact O-N 3.31Å; D70-V72 VanDerWaalsContact C-N 3.3Å; D70-V72 PolarHBondContact O-N 3.49Å; V72-Q74 PolarHBondContact O-N 3.27Å; V72-I75 CarbonylContact O-C 3.53Å; V72-I75 WeakPolarHBondContact O-CA 3.39Å; V72-I75 WeakPolarHBondContact O-CB 3.37Å; V72-I75 PolarHBondContact O-N 3.48Å; V72-E76 PolarHBondContact O-N 2.97Å; V72-F89 HydrophobicContact CB-CZ 4.4Å; V72-F89 HydrophobicContact CG1-CE1 3.75Å; V72-F89 HydrophobicContact CG1-CZ 3.6Å; V72-F89 HydrophobicContact CG2-CZ 4.02Å
73	K	53.1	Low	52.3	Low	129 Å²	129	108.8 Å²	108.8	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-59.3	-36.1	174.3	-79.7	-179	176.5	177	0	112.4	Q69 D70 I75 E76 I77	Q69-K73 PolarHBondContact O-N 3.39Å; D70-K73 PolarHBondContact O-N 3.32Å; K73-I75 VanDerWaalsContact C-N 3.29Å; K73-I75 PolarHBondContact O-N 3.12Å; K73-E76 WeakPolarHBondContact O-CB 3.22Å; K73-E76 PolarHBondContact O-N 3.44Å; K73-I77 PolarHBondContact O-N 3.21Å
74	Q	54	Low	51.4	Low	130 Å²	130	108.1 Å²	108.1	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-67.3	-30	174.3	-69	-66.5	-21.2	0	0	112.7	D70 Q71 V72	D70-Q74 WeakPolarHBondContact O-CG 3.3Å; D70-Q74 PolarHBondContact O-N 3.23Å; D70-Q74 VanDerWaalsContact O-N 3.09Å; Q71-Q74 PolarHBondContact O-N 3.07Å; V72-Q74 PolarHBondContact O-N 3.27Å
75	I	50	Low	50.8	Low	61 Å²	61	107.2 Å²	107.2	31%	0.313	52%	0.52	S	S	.	.	H	α-helix	trans	-74.9	-35.2	173.5	-65.8	159.5	0	0	0	110.8	L7 Q71 V72 K73 I77 R78 I79	L7-I75 HydrophobicContact CD1-CD1 4.41Å; L7-I75 HydrophobicContact CD2-CD1 4.2Å; L7-I75 HydrophobicContact CD2-CG2 4.02Å; Q71-I75 WeakPolarHBondContact O-CD1 3.49Å; Q71-I75 WeakPolarHBondContact O-CG1 3.45Å; Q71-I75 PolarHBondContact O-N 3.25Å; V72-I75 CarbonylContact O-C 3.53Å; V72-I75 WeakPolarHBondContact O-CA 3.39Å; V72-I75 WeakPolarHBondContact O-CB 3.37Å; V72-I75 PolarHBondContact O-N 3.48Å; K73-I75 VanDerWaalsContact C-N 3.29Å; K73-I75 PolarHBondContact O-N 3.12Å; I75-I77 VanDerWaalsContact C-N 3.29Å; I75-I77 PolarHBondContact O-N 2.99Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-I79 HydrophobicContact CG2-CD1 3.8Å; I75-I79 HydrophobicContact CG2-CG1 4.43Å; I75-I79 PolarHBondContact O-N 3.08Å
76	E	43.9	Very low	50.4	Low	89 Å²	89	111.4 Å²	111.4	42%	0.416	53%	0.531	S	S	.	.	H	α-helix	trans	-58.5	-37.6	177.5	-167.2	168.1	-147.8	0	0	112.4	V72 K73 R78 I79 W86	V72-E76 PolarHBondContact O-N 2.97Å; K73-E76 WeakPolarHBondContact O-CB 3.22Å; K73-E76 PolarHBondContact O-N 3.44Å; E76-R78 PolarHBondContact O-N 3.04Å; E76-R78 VanDerWaalsContact O-N 3.14Å; E76-I79 PolarHBondContact O-N 2.99Å; E76-W86 PolarHBondContact OE1-NE1 2.76Å
77	I	48	Very low	49.8	Very low	120 Å²	120	113.4 Å²	113.4	62%	0.615	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.9	174.6	-64.2	171.6	0	0	0	112.3	K73 I75	K73-I77 PolarHBondContact O-N 3.21Å; I75-I77 VanDerWaalsContact C-N 3.29Å; I75-I77 PolarHBondContact O-N 2.99Å
78	R	47.2	Very low	49.2	Very low	226 Å²	226	113.9 Å²	113.9	85%	0.853	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.4	-178.1	-75.1	-176.2	179.5	177.1	0.8	115	I75 E76	I75-R78 PolarHBondContact O-N 3.24Å; E76-R78 PolarHBondContact O-N 3.04Å; E76-R78 VanDerWaalsContact O-N 3.14Å
79	I	48.4	Very low	48.8	Very low	70 Å²	70	114.2 Å²	114.2	36%	0.359	55%	0.548	S	S	.	.			trans	-131	65.4	-173.4	-47.6	179.6	0	0	0	110	L4 I75 E76 G81	L4-I79 HydrophobicContact CD1-CD1 4.46Å; I75-I79 HydrophobicContact CG2-CD1 3.8Å; I75-I79 HydrophobicContact CG2-CG1 4.43Å; I75-I79 PolarHBondContact O-N 3.08Å; E76-I79 PolarHBondContact O-N 2.99Å; I79-G81 PolarHBondContact O-N 3.09Å
80	Y	40.7	Very low	48.5	Very low	225 Å²	225	113.2 Å²	113.2	88%	0.882	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	118	160.9	-95	-93.4	0	0	0	109
81	G	50.3	Low	48	Very low	73 Å²	73	110.8 Å²	110.8	75%	0.753	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.5	9.6	159.3	0	0	0	0	0	120	I79	I79-G81 PolarHBondContact O-N 3.09Å
82	K	50.2	Low	47.7	Very low	110 Å²	110	107.7 Å²	107.7	48%	0.478	54%	0.535	S	S	.	.			trans	-126.2	83.3	177.7	-69.5	-164.7	176.5	-165.4	0	114.4	C84 V85	K82-C84 VanDerWaalsContact C-N 3.3Å; K82-C84 PolarHBondContact O-N 3.28Å; K82-V85 HydrophobicContact CB-CG2 4.2Å; K82-V85 PolarHBondContact O-N 3.45Å
83	W	42.8	Very low	47.7	Very low	213 Å²	213	108.3 Å²	108.3	81%	0.807	54%	0.536	S	S	*	.	H	α-helix	trans	-53	-36.3	178	-118.7	78.8	0	0	0	114.8	W86 K87	W83-W86 PolarHBondContact O-N 2.74Å; W83-K87 PolarHBondContact O-N 3.2Å
84	C	43	Very low	47.4	Very low	106 Å²	106	107 Å²	107	72%	0.716	54%	0.535	S	S	*	.	H	α-helix	trans	-67.2	-37.2	-179.1	-103	0	0	0	0	113.8	K82 W86 K87 T88	K82-C84 VanDerWaalsContact C-N 3.3Å; K82-C84 PolarHBondContact O-N 3.28Å; C84-W86 VanDerWaalsContact C-N 3.26Å; C84-W86 PolarHBondContact O-N 3.27Å; C84-K87 PolarHBondContact O-N 3.28Å; C84-T88 PolarHBondContact O-N 3.27Å; C84-T88 PolarHBondContact O-OG1 3.25Å
85	V	47.5	Very low	47.2	Very low	66 Å²	66	102.4 Å²	102.4	40%	0.4	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-34.5	179.1	-178.6	0	0	0	0	110.1	K82 F89	K82-V85 HydrophobicContact CB-CG2 4.2Å; K82-V85 PolarHBondContact O-N 3.45Å; V85-F89 WeakPolarHBondContact O-CB 3.44Å; V85-F89 PolarHBondContact O-N 3.22Å
86	W	44.2	Very low	47.2	Very low	128 Å²	128	102.4 Å²	102.4	49%	0.485	52%	0.519	S	S	.	.	H	α-helix	trans	-67.2	-41	180	-139.8	99.8	0	0	0	112.2	E76 W83 C84 F89 L90	E76-W86 PolarHBondContact OE1-NE1 2.76Å; W83-W86 PolarHBondContact O-N 2.74Å; C84-W86 VanDerWaalsContact C-N 3.26Å; C84-W86 PolarHBondContact O-N 3.27Å; W86-F89 PolarHBondContact O-N 3.33Å; W86-L90 HydrophobicContact CD2-CG 4.42Å; W86-L90 HydrophobicContact CE3-CD1 3.39Å; W86-L90 HydrophobicContact CE3-CD2 4.11Å; W86-L90 HydrophobicContact CE3-CG 3.39Å; W86-L90 HydrophobicContact CH2-CD1 4.2Å; W86-L90 HydrophobicContact CH2-CD2 3.69Å; W86-L90 HydrophobicContact CH2-CG 3.95Å; W86-L90 HydrophobicContact CZ3-CD1 3.1Å; W86-L90 HydrophobicContact CZ3-CD2 3.4Å; W86-L90 HydrophobicContact CZ3-CG 3.16Å; W86-L90 WeakPolarHBondContact O-CB 3.15Å; W86-L90 PolarHBondContact O-N 2.92Å
87	K	42.9	Very low	47.4	Very low	148 Å²	148	102.5 Å²	102.5	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-46.2	174.9	-102.7	-171.8	177.2	-178.2	0	113	W83 C84 F89 G91	W83-K87 PolarHBondContact O-N 3.2Å; C84-K87 PolarHBondContact O-N 3.28Å; K87-F89 VanDerWaalsContact C-N 3.33Å; K87-G91 PolarHBondContact O-N 2.88Å
88	T	48.4	Very low	47.4	Very low	102 Å²	102	98.5 Å²	98.5	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-65.5	-40.1	178.5	-46.9	0	0	0	0	111	C84 G91 S92	C84-T88 PolarHBondContact O-N 3.27Å; C84-T88 PolarHBondContact O-OG1 3.25Å; T88-G91 PolarHBondContact O-N 2.67Å; T88-S92 PolarHBondContact O-N 3.05Å; T88-S92 PolarHBondContact O-OG 3.2Å
89	F	48.3	Very low	47.5	Very low	59 Å²	59	91.1 Å²	91.1	26%	0.259	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-44.5	178.2	-177.5	-108.7	0	0	0	112.9	V11 V72 V85 W86 K87 G91 S92 I93	V11-F89 HydrophobicContact CG1-CE2 4.22Å; V72-F89 HydrophobicContact CB-CZ 4.4Å; V72-F89 HydrophobicContact CG1-CE1 3.75Å; V72-F89 HydrophobicContact CG1-CZ 3.6Å; V72-F89 HydrophobicContact CG2-CZ 4.02Å; V85-F89 WeakPolarHBondContact O-CB 3.44Å; V85-F89 PolarHBondContact O-N 3.22Å; W86-F89 PolarHBondContact O-N 3.33Å; K87-F89 VanDerWaalsContact C-N 3.33Å; F89-G91 VanDerWaalsContact C-N 3.29Å; F89-G91 PolarHBondContact O-N 3.43Å; F89-S92 PolarHBondContact O-N 3.43Å; F89-S92 VanDerWaalsContact O-N 3.16Å; F89-I93 HydrophobicContact CD1-CD1 3.88Å; F89-I93 HydrophobicContact CE1-CD1 3.23Å; F89-I93 HydrophobicContact CE1-CG1 4.2Å; F89-I93 HydrophobicContact CE2-CD1 4.23Å; F89-I93 HydrophobicContact CE2-CG1 4.46Å; F89-I93 HydrophobicContact CZ-CD1 3.44Å; F89-I93 VanDerWaalsContact CZ-CD1 3.44Å; F89-I93 HydrophobicContact CZ-CG1 4.11Å; F89-I93 PolarHBondContact O-N 3.44Å
90	L	48.9	Very low	47.5	Very low	62 Å²	62	89.4 Å²	89.4	33%	0.325	48%	0.482	S	S	.	.	H	α-helix	trans	-57	-43.6	169.9	-85.2	-177	0	0	0	112.2	W86 S92 I93 N94	W86-L90 HydrophobicContact CD2-CG 4.42Å; W86-L90 HydrophobicContact CE3-CD1 3.39Å; W86-L90 HydrophobicContact CE3-CD2 4.11Å; W86-L90 HydrophobicContact CE3-CG 3.39Å; W86-L90 HydrophobicContact CH2-CD1 4.2Å; W86-L90 HydrophobicContact CH2-CD2 3.69Å; W86-L90 HydrophobicContact CH2-CG 3.95Å; W86-L90 HydrophobicContact CZ3-CD1 3.1Å; W86-L90 HydrophobicContact CZ3-CD2 3.4Å; W86-L90 HydrophobicContact CZ3-CG 3.16Å; W86-L90 WeakPolarHBondContact O-CB 3.15Å; W86-L90 PolarHBondContact O-N 2.92Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.82Å; L90-I93 PolarHBondContact O-N 2.99Å; L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.38Å; L90-N94 VanDerWaalsContact O-CG 3.31Å; L90-N94 PolarHBondContact O-N 2.86Å
91	G	48.8	Very low	47.8	Very low	45 Å²	45	83.3 Å²	83.3	46%	0.464	47%	0.468	S	S	.	.	H	α-helix	trans	-58	-42.6	175.8	0	0	0	0	0	111.9	K87 T88 F89 G95	K87-G91 PolarHBondContact O-N 2.88Å; T88-G91 PolarHBondContact O-N 2.67Å; F89-G91 VanDerWaalsContact C-N 3.29Å; F89-G91 PolarHBondContact O-N 3.43Å; G91-G95 PolarHBondContact O-N 3.46Å
92	S	50	Low	47.7	Very low	61 Å²	61	83.3 Å²	83.3	43%	0.427	45%	0.453	S	S	.	.	H	α-helix	trans	-67.8	-40.4	176.3	-59.4	0	0	0	0	113.2	T88 F89 L90 G95 Y96	T88-S92 PolarHBondContact O-N 3.05Å; T88-S92 PolarHBondContact O-OG 3.2Å; F89-S92 PolarHBondContact O-N 3.43Å; F89-S92 VanDerWaalsContact O-N 3.16Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 2.82Å; S92-G95 PolarHBondContact O-N 3.19Å; S92-Y96 WeakPolarHBondContact O-CB 3.21Å; S92-Y96 PolarHBondContact O-N 3.12Å
93	I	50.2	Low	47.5	Very low	52 Å²	52	79.9 Å²	79.9	27%	0.267	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-46.7	174.9	-72.7	178.1	0	0	0	110.9	F89 L90 G95 Y96 L97	F89-I93 HydrophobicContact CD1-CD1 3.88Å; F89-I93 HydrophobicContact CE1-CD1 3.23Å; F89-I93 HydrophobicContact CE1-CG1 4.2Å; F89-I93 HydrophobicContact CE2-CD1 4.23Å; F89-I93 HydrophobicContact CE2-CG1 4.46Å; F89-I93 HydrophobicContact CZ-CD1 3.44Å; F89-I93 VanDerWaalsContact CZ-CD1 3.44Å; F89-I93 HydrophobicContact CZ-CG1 4.11Å; F89-I93 PolarHBondContact O-N 3.44Å; L90-I93 PolarHBondContact O-N 2.99Å; I93-G95 VanDerWaalsContact C-N 3.29Å; I93-G95 PolarHBondContact O-N 2.82Å; I93-Y96 PolarHBondContact O-N 2.9Å; I93-Y96 VanDerWaalsContact O-N 3.13Å; I93-L97 HydrophobicContact CG2-CD1 3.77Å; I93-L97 HydrophobicContact CG2-CG 4.32Å; I93-L97 WeakPolarHBondContact O-CB 3.47Å; I93-L97 WeakPolarHBondContact O-CG 3.39Å; I93-L97 PolarHBondContact O-N 3.07Å
94	N	47.9	Very low	47.8	Very low	100 Å²	100	74.2 Å²	74.2	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-38.6	178	-74.1	-14.8	0	0	0	111.1	L90 G98	L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.38Å; L90-N94 VanDerWaalsContact O-CG 3.31Å; L90-N94 PolarHBondContact O-N 2.86Å; N94-G98 PolarHBondContact O-N 3.44Å
95	G	49.3	Very low	47.8	Very low	34 Å²	34	71.4 Å²	71.4	35%	0.351	40%	0.401	S	S	.	.	H	α-helix	trans	-60.3	-45.5	170.6	0	0	0	0	0	112.3	G91 S92 I93 G98 I99	G91-G95 PolarHBondContact O-N 3.46Å; S92-G95 PolarHBondContact O-N 3.19Å; I93-G95 VanDerWaalsContact C-N 3.29Å; I93-G95 PolarHBondContact O-N 2.82Å; G95-G98 PolarHBondContact O-N 3.36Å; G95-I99 WeakPolarHBondContact O-CB 3.49Å; G95-I99 WeakPolarHBondContact O-CD1 3.43Å; G95-I99 WeakPolarHBondContact O-CG1 3.4Å; G95-I99 PolarHBondContact O-N 2.82Å
96	Y	50.1	Low	47.6	Very low	62 Å²	62	74.9 Å²	74.9	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-65.4	-42.9	178.1	-172.1	-94.7	0	0	0	112.6	C18 S92 I93 I99 S100	C18-Y96 HydrophobicContact CB-CE2 4.29Å; S92-Y96 WeakPolarHBondContact O-CB 3.21Å; S92-Y96 PolarHBondContact O-N 3.12Å; I93-Y96 PolarHBondContact O-N 2.9Å; I93-Y96 VanDerWaalsContact O-N 3.13Å; Y96-I99 PolarHBondContact O-N 2.59Å; Y96-S100 WeakPolarHBondContact O-CB 3.33Å; Y96-S100 PolarHBondContact O-N 2.87Å
97	L	47.3	Very low	47.7	Very low	90 Å²	90	69.6 Å²	69.6	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-44	174.5	-73.3	167.7	0	0	0	111.1	I93 S100 V101	I93-L97 HydrophobicContact CG2-CD1 3.77Å; I93-L97 HydrophobicContact CG2-CG 4.32Å; I93-L97 WeakPolarHBondContact O-CB 3.47Å; I93-L97 WeakPolarHBondContact O-CG 3.39Å; I93-L97 PolarHBondContact O-N 3.07Å; L97-S100 WeakPolarHBondContact O-CB 3.49Å; L97-S100 PolarHBondContact O-N 3.27Å; L97-V101 WeakPolarHBondContact O-CB 3.27Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.04Å
98	G	49.4	Very low	47.9	Very low	37 Å²	37	69 Å²	69	38%	0.381	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.8	0	0	0	0	0	112.8	N94 G95 T102	N94-G98 PolarHBondContact O-N 3.44Å; G95-G98 PolarHBondContact O-N 3.36Å; G98-T102 WeakPolarHBondContact O-CB 3.47Å; G98-T102 PolarHBondContact O-N 2.85Å; G98-T102 PolarHBondContact O-OG1 2.99Å
99	I	49.6	Very low	47.6	Very low	70 Å²	70	69.2 Å²	69.2	36%	0.359	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-46.7	174.8	-69.4	161.6	0	0	0	110.5	F19 G95 Y96 V101 T102 L103	F19-I99 HydrophobicContact CD2-CD1 4.04Å; F19-I99 HydrophobicContact CD2-CG2 3.88Å; F19-I99 HydrophobicContact CE2-CD1 3.92Å; F19-I99 HydrophobicContact CE2-CG1 4.42Å; F19-I99 HydrophobicContact CE2-CG2 3.74Å; G95-I99 WeakPolarHBondContact O-CB 3.49Å; G95-I99 WeakPolarHBondContact O-CD1 3.43Å; G95-I99 WeakPolarHBondContact O-CG1 3.4Å; G95-I99 PolarHBondContact O-N 2.82Å; Y96-I99 PolarHBondContact O-N 2.59Å; I99-V101 PolarHBondContact O-N 3.08Å; I99-T102 PolarHBondContact O-N 3.36Å; I99-L103 VanDerWaalsContact O-CB 3.29Å; I99-L103 WeakPolarHBondContact O-CB 3.49Å; I99-L103 PolarHBondContact O-N 2.97Å
100	S	47.3	Very low	47.4	Very low	35 Å²	35	69.9 Å²	69.9	25%	0.245	40%	0.398	C	S	.	.	H	α-helix	trans	-55.2	-53.6	177.7	178.5	0	0	0	0	110.5	Y96 L97 T102 L103 Y104	Y96-S100 WeakPolarHBondContact O-CB 3.33Å; Y96-S100 PolarHBondContact O-N 2.87Å; L97-S100 WeakPolarHBondContact O-CB 3.49Å; L97-S100 PolarHBondContact O-N 3.27Å; S100-T102 VanDerWaalsContact C-N 3.34Å; S100-T102 PolarHBondContact O-N 3.42Å; S100-L103 CarbonylContact O-C 3.47Å; S100-L103 WeakPolarHBondContact O-CA 3.25Å; S100-L103 WeakPolarHBondContact O-CB 3.22Å; S100-L103 PolarHBondContact O-N 3.31Å; S100-L103 VanDerWaalsContact O-N 3.08Å; S100-Y104 WeakPolarHBondContact O-CD2 3.37Å; S100-Y104 PolarHBondContact O-N 3.07Å; S100-Y104 VanDerWaalsContact OG-CE2 3.28Å; S100-Y104 WeakPolarHBondContact OG-CE2 3.3Å
101	V	47.3	Very low	47.2	Very low	97 Å²	97	69.2 Å²	69.2	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-59	-42.6	177.3	172.7	0	0	0	0	112	L97 I99 L103 Y104 S105	L97-V101 WeakPolarHBondContact O-CB 3.27Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.04Å; I99-V101 PolarHBondContact O-N 3.08Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.3Å; V101-Y104 PolarHBondContact O-N 3.1Å; V101-S105 WeakPolarHBondContact O-CB 3.43Å; V101-S105 PolarHBondContact O-N 2.73Å
102	T	47.4	Very low	47.1	Very low	72 Å²	72	68.7 Å²	68.7	44%	0.442	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-38.4	176.3	-54.1	0	0	0	0	111.6	G98 I99 S100 S105 K106	G98-T102 WeakPolarHBondContact O-CB 3.47Å; G98-T102 PolarHBondContact O-N 2.85Å; G98-T102 PolarHBondContact O-OG1 2.99Å; I99-T102 PolarHBondContact O-N 3.36Å; S100-T102 VanDerWaalsContact C-N 3.34Å; S100-T102 PolarHBondContact O-N 3.42Å; T102-S105 PolarHBondContact O-N 2.81Å; T102-K106 HydrophobicContact CG2-CD 4.5Å; T102-K106 WeakPolarHBondContact O-CB 3.19Å; T102-K106 WeakPolarHBondContact O-CG 3.31Å; T102-K106 PolarHBondContact O-N 3.36Å
103	L	46.6	Very low	46.4	Very low	39 Å²	39	70.8 Å²	70.8	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-44.1	177.2	-155.8	78.4	0	0	0	111	A22 V26 I99 S100 V101 S105 K106 L107	A22-L103 HydrophobicContact CB-CD2 3.84Å; V26-L103 HydrophobicContact CB-CD1 4.23Å; V26-L103 HydrophobicContact CG1-CD1 4.4Å; V26-L103 HydrophobicContact CG2-CD1 3.49Å; V26-L103 VanDerWaalsContact CG2-CD1 3.49Å; V26-L103 HydrophobicContact CG2-CD2 3.8Å; V26-L103 HydrophobicContact CG2-CG 3.59Å; I99-L103 VanDerWaalsContact O-CB 3.29Å; I99-L103 WeakPolarHBondContact O-CB 3.49Å; I99-L103 PolarHBondContact O-N 2.97Å; S100-L103 CarbonylContact O-C 3.47Å; S100-L103 WeakPolarHBondContact O-CA 3.25Å; S100-L103 WeakPolarHBondContact O-CB 3.22Å; S100-L103 PolarHBondContact O-N 3.31Å; S100-L103 VanDerWaalsContact O-N 3.08Å; V101-L103 VanDerWaalsContact C-N 3.31Å; V101-L103 PolarHBondContact O-N 3.3Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.39Å; L103-K106 PolarHBondContact O-N 2.86Å; L103-L107 HydrophobicContact CG-CD1 4.35Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.08Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 2.74Å
104	Y	48.7	Very low	45.8	Very low	94 Å²	94	73 Å²	73	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-57	-46.5	172.1	-84.5	-78.2	0	0	0	111.1	L58 S100 V101 L107 F108	L58-Y104 HydrophobicContact CB-CE1 4.48Å; L58-Y104 HydrophobicContact CD1-CD1 4.33Å; L58-Y104 HydrophobicContact CD1-CE1 3.65Å; L58-Y104 HydrophobicContact CD2-CD1 4.3Å; L58-Y104 HydrophobicContact CD2-CE1 3.46Å; L58-Y104 VanDerWaalsContact CD2-CE1 3.46Å; L58-Y104 HydrophobicContact CD2-CE2 4.15Å; L58-Y104 WeakPolarHBondContact CD2-OH 3.37Å; L58-Y104 HydrophobicContact CG-CE1 4.01Å; S100-Y104 WeakPolarHBondContact O-CD2 3.37Å; S100-Y104 PolarHBondContact O-N 3.07Å; S100-Y104 VanDerWaalsContact OG-CE2 3.28Å; S100-Y104 WeakPolarHBondContact OG-CE2 3.3Å; V101-Y104 PolarHBondContact O-N 3.1Å; Y104-L107 PolarHBondContact O-N 3.11Å; Y104-F108 PolarHBondContact O-N 2.81Å
105	S	43.5	Very low	46.1	Very low	47 Å²	47	71.3 Å²	71.3	33%	0.329	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-46.1	177.8	-169.1	0	0	0	0	112	V101 T102 L103 F108 D109	V101-S105 WeakPolarHBondContact O-CB 3.43Å; V101-S105 PolarHBondContact O-N 2.73Å; T102-S105 PolarHBondContact O-N 2.81Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.39Å; S105-F108 WeakPolarHBondContact O-CB 3.17Å; S105-F108 PolarHBondContact O-N 3.2Å; S105-D109 PolarHBondContact O-N 3.4Å
106	K	43.2	Very low	46.2	Very low	138 Å²	138	77.6 Å²	77.6	60%	0.6	40%	0.404	S	S	*	.	H	α-helix	trans	-68	-35.7	178.7	-76.4	-175.5	177.9	-176.2	0	113.2	T102 L103 F108 D109 S110	T102-K106 HydrophobicContact CG2-CD 4.5Å; T102-K106 WeakPolarHBondContact O-CB 3.19Å; T102-K106 WeakPolarHBondContact O-CG 3.31Å; T102-K106 PolarHBondContact O-N 3.36Å; L103-K106 PolarHBondContact O-N 2.86Å; K106-F108 VanDerWaalsContact C-N 3.32Å; K106-D109 PolarHBondContact O-N 3.33Å; K106-S110 PolarHBondContact O-N 3.03Å
107	L	46.1	Very low	46.4	Very low	18 Å²	18	77.9 Å²	77.9	9%	0.094	42%	0.415	C	S	.	.	H	α-helix	trans	-65.9	-36.6	173.7	-81.3	167.2	0	0	0	111.5	V26 L29 L103 Y104 Q111	V26-L107 HydrophobicContact CG2-CD1 4.1Å; V26-L107 HydrophobicContact CG2-CD2 4.03Å; V26-L107 HydrophobicContact CG2-CG 4.06Å; L29-L107 HydrophobicContact CD1-CD2 3.88Å; L103-L107 HydrophobicContact CG-CD1 4.35Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.08Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-L107 PolarHBondContact O-N 2.74Å; Y104-L107 PolarHBondContact O-N 3.11Å; L107-Q111 WeakPolarHBondContact O-CG 3.47Å
108	F	47.7	Very low	47	Very low	135 Å²	135	77.3 Å²	77.3	59%	0.592	41%	0.412	S	S	*	.	H	α-helix	trans	-64.2	-48	170.6	-108.9	-93.8	0	0	0	110.9	Y104 S105 K106 S110 Q111 V112	Y104-F108 PolarHBondContact O-N 2.81Å; S105-F108 WeakPolarHBondContact O-CB 3.17Å; S105-F108 PolarHBondContact O-N 3.2Å; K106-F108 VanDerWaalsContact C-N 3.32Å; F108-S110 VanDerWaalsContact C-N 3.33Å; F108-S110 PolarHBondContact O-N 3.42Å; F108-Q111 PolarHBondContact O-N 3.17Å; F108-Q111 VanDerWaalsContact O-N 3.13Å; F108-V112 VanDerWaalsContact O-CG2 3.25Å; F108-V112 WeakPolarHBondContact O-CG2 3.36Å
109	D	42.7	Very low	47.9	Very low	107 Å²	107	79.4 Å²	79.4	57%	0.572	42%	0.417	S	S	*	.	H	α-helix	trans	-58.4	-34.9	-177.2	-78.9	-29.1	0	0	0	114.2	S105 K106 Q111 V112	S105-D109 PolarHBondContact O-N 3.4Å; K106-D109 PolarHBondContact O-N 3.33Å; D109-Q111 VanDerWaalsContact C-N 3.33Å; D109-Q111 PolarHBondContact O-N 3.03Å; D109-V112 VanDerWaalsContact O-CB 3.3Å; D109-V112 WeakPolarHBondContact O-CB 3.03Å; D109-V112 WeakPolarHBondContact O-CG2 3.29Å; D109-V112 PolarHBondContact O-N 3.15Å
110	S	42.8	Very low	48.8	Very low	72 Å²	72	77.9 Å²	77.9	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-73.9	-22.7	179.7	83.2	0	0	0	0	113.7	K106 F108 V112	K106-S110 PolarHBondContact O-N 3.03Å; F108-S110 VanDerWaalsContact C-N 3.33Å; F108-S110 PolarHBondContact O-N 3.42Å; S110-V112 VanDerWaalsContact C-N 3.27Å; S110-V112 PolarHBondContact O-N 3.49Å
111	Q	44.4	Very low	50	Low	49 Å²	49	80.2 Å²	80.2	23%	0.229	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.7	178	-63.4	170.5	1.4	0	0	112.5	L51 L107 F108 D109 C113 L115	L51-Q111 HydrophobicContact CD2-CG 4.32Å; L107-Q111 WeakPolarHBondContact O-CG 3.47Å; F108-Q111 PolarHBondContact O-N 3.17Å; F108-Q111 VanDerWaalsContact O-N 3.13Å; D109-Q111 VanDerWaalsContact C-N 3.33Å; D109-Q111 PolarHBondContact O-N 3.03Å; Q111-C113 VanDerWaalsContact C-N 3.35Å; Q111-C113 PolarHBondContact O-N 3.49Å; Q111-L115 HydrophobicContact CB-CD1 3.97Å; Q111-L115 WeakPolarHBondContact O-CG 3.28Å; Q111-L115 PolarHBondContact O-N 3.18Å
112	V	46.8	Very low	51.2	Low	34 Å²	34	77 Å²	77	21%	0.206	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-23.6	-167.1	176.2	0	0	0	0	113.8	F108 D109 S110 Y114 L115 R116	F108-V112 VanDerWaalsContact O-CG2 3.25Å; F108-V112 WeakPolarHBondContact O-CG2 3.36Å; D109-V112 VanDerWaalsContact O-CB 3.3Å; D109-V112 WeakPolarHBondContact O-CB 3.03Å; D109-V112 WeakPolarHBondContact O-CG2 3.29Å; D109-V112 PolarHBondContact O-N 3.15Å; S110-V112 VanDerWaalsContact C-N 3.27Å; S110-V112 PolarHBondContact O-N 3.49Å; V112-Y114 PolarHBondContact O-N 3.4Å; V112-L115 CarbonylContact O-C 3.59Å; V112-L115 PolarHBondContact O-N 2.96Å; V112-R116 HydrophobicContact CG1-CG 3.61Å; V112-R116 VanDerWaalsContact O-CB 3.23Å; V112-R116 WeakPolarHBondContact O-CB 3.37Å; V112-R116 WeakPolarHBondContact O-CG 3.47Å; V112-R116 PolarHBondContact O-N 2.04Å
113	C	37.1	Very low	52.7	Low	104 Å²	104	77.1 Å²	77.1	70%	0.703	40%	0.404	S	S	*	.	H	α-helix	trans	-66.3	-39.7	-177.1	-92.3	0	0	0	0	114.1	Q111	Q111-C113 VanDerWaalsContact C-N 3.35Å; Q111-C113 PolarHBondContact O-N 3.49Å
114	Y	37.5	Very low	54.4	Low	99 Å²	99	83.8 Å²	83.8	39%	0.388	43%	0.426	S	S	.	.	H	α-helix	trans	-80	-35	173.9	-177.4	-104.6	0	0	0	111.7	I47 V112 R116 S117 L118	I47-Y114 HydrophobicContact CD1-CG 4.45Å; V112-Y114 PolarHBondContact O-N 3.4Å; Y114-R116 VanDerWaalsContact C-N 3.25Å; Y114-R116 PolarHBondContact O-N 2.9Å; Y114-S117 PolarHBondContact O-N 3.37Å; Y114-S117 PolarHBondContact O-OG 2.83Å; Y114-L118 HydrophobicContact CD1-CD1 3.89Å; Y114-L118 HydrophobicContact CE1-CD1 3.39Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 PolarHBondContact O-N 3.09Å
115	L	52.7	Low	56	Low	64 Å²	64	81.5 Å²	81.5	34%	0.335	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-34.1	172.5	-66.5	169.2	0	0	0	111.3	Q111 V112 S117 L118 V119	Q111-L115 HydrophobicContact CB-CD1 3.97Å; Q111-L115 WeakPolarHBondContact O-CG 3.28Å; Q111-L115 PolarHBondContact O-N 3.18Å; V112-L115 CarbonylContact O-C 3.59Å; V112-L115 PolarHBondContact O-N 2.96Å; L115-S117 PolarHBondContact O-N 2.74Å; L115-L118 PolarHBondContact O-N 2.83Å; L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.27Å
116	R	52.4	Low	58	Low	167 Å²	167	79.4 Å²	79.4	63%	0.63	40%	0.403	S	S	*	.	H	α-helix	trans	-61.9	-41.1	177.6	-87	172.5	-176.8	175.2	9.6	112.7	V112 Y114 A120	V112-R116 HydrophobicContact CG1-CG 3.61Å; V112-R116 VanDerWaalsContact O-CB 3.23Å; V112-R116 WeakPolarHBondContact O-CB 3.37Å; V112-R116 WeakPolarHBondContact O-CG 3.47Å; V112-R116 PolarHBondContact O-N 2.04Å; Y114-R116 VanDerWaalsContact C-N 3.25Å; Y114-R116 PolarHBondContact O-N 2.9Å; R116-A120 WeakPolarHBondContact O-CB 3.44Å; R116-A120 PolarHBondContact O-N 3.08Å
117	S	53.2	Low	60.1	Low	68 Å²	68	79.3 Å²	79.3	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-72.7	-38.7	179	67.6	0	0	0	0	111.8	Y114 L115 A120 L121	Y114-S117 PolarHBondContact O-N 3.37Å; Y114-S117 PolarHBondContact O-OG 2.83Å; L115-S117 PolarHBondContact O-N 2.74Å; S117-A120 PolarHBondContact O-N 2.58Å; S117-L121 WeakPolarHBondContact O-CB 3.41Å; S117-L121 PolarHBondContact O-N 3.47Å
118	L	60.8	Low	62	Low	77 Å²	77	81.3 Å²	81.3	40%	0.403	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-42.7	173.3	-72.7	178.8	0	0	0	112.4	Y114 L115 L121 S122	Y114-L118 HydrophobicContact CD1-CD1 3.89Å; Y114-L118 HydrophobicContact CE1-CD1 3.39Å; Y114-L118 HydrophobicContact CE1-CG 4.13Å; Y114-L118 PolarHBondContact O-N 3.09Å; L115-L118 PolarHBondContact O-N 2.83Å; L118-L121 PolarHBondContact O-N 2.98Å; L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 2.93Å
119	V	67.3	Low	63.8	Low	82 Å²	82	75.2 Å²	75.2	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-52	173.1	168.1	0	0	0	0	108.9	L115 L121 S122 L123	L115-V119 WeakPolarHBondContact O-CB 3.48Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.27Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 3.4Å; V119-S122 WeakPolarHBondContact O-CB 3.5Å; V119-S122 PolarHBondContact O-N 3.43Å; V119-L123 HydrophobicContact CG1-CD1 4.06Å; V119-L123 HydrophobicContact CG1-CG 4.13Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 2.97Å
120	A	69.6	Low	66	Low	38 Å²	38	70.6 Å²	70.6	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-57.8	-39.6	177.9	0	0	0	0	0	112.9	R116 S117 R124	R116-A120 WeakPolarHBondContact O-CB 3.44Å; R116-A120 PolarHBondContact O-N 3.08Å; S117-A120 PolarHBondContact O-N 2.58Å; A120-R124 WeakPolarHBondContact O-CG 3.43Å; A120-R124 PolarHBondContact O-N 2.65Å
121	L	71.2	Confident	68.3	Low	84 Å²	84	73.5 Å²	73.5	44%	0.44	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-43.8	174.3	-177	65	0	0	0	111.7	S117 L118 V119 R124 K125	S117-L121 WeakPolarHBondContact O-CB 3.41Å; S117-L121 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 2.98Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 3.4Å; L121-R124 PolarHBondContact O-N 3.17Å; L121-K125 HydrophobicContact CG-CD 4.27Å; L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 3.33Å
122	S	73.4	Confident	70.5	Confident	28 Å²	28	72.6 Å²	72.6	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.5	-163.6	0	0	0	0	111.5	L118 V119 R124 K125 L126 L250	L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 2.93Å; V119-S122 WeakPolarHBondContact O-CB 3.5Å; V119-S122 PolarHBondContact O-N 3.43Å; S122-R124 PolarHBondContact O-N 2.72Å; S122-K125 PolarHBondContact O-N 2.87Å; S122-L126 PolarHBondContact O-N 2.86Å; S122-L250 PolarHBondContact OG-O 3.36Å; S122-L250 VanDerWaalsContact OG-O 3.12Å
123	L	79.3	Confident	72.5	Confident	76 Å²	76	71 Å²	71	40%	0.398	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-48.6	175.4	-67.1	179.6	0	0	0	111.3	V119 K125 L126 H127	V119-L123 HydrophobicContact CG1-CD1 4.06Å; V119-L123 HydrophobicContact CG1-CG 4.13Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 2.97Å; L123-K125 PolarHBondContact O-N 3.24Å; L123-L126 PolarHBondContact O-N 3.01Å; L123-H127 WeakPolarHBondContact O-CB 3.37Å; L123-H127 PolarHBondContact O-N 3.19Å
124	R	81.8	Confident	75.2	Confident	178 Å²	178	67.6 Å²	67.6	67%	0.672	33%	0.328	S	S	*	.	H	α-helix	trans	-60.7	-43.9	177.6	-73.5	177.1	-172.9	177.6	2.4	112	A120 L121 S122 H127 Q128	A120-R124 WeakPolarHBondContact O-CG 3.43Å; A120-R124 PolarHBondContact O-N 2.65Å; L121-R124 PolarHBondContact O-N 3.17Å; S122-R124 PolarHBondContact O-N 2.72Å; R124-H127 PolarHBondContact O-N 2.92Å; R124-Q128 WeakPolarHBondContact O-CG 3.38Å; R124-Q128 PolarHBondContact O-N 2.79Å
125	K	83.1	Confident	77.9	Confident	47 Å²	47	67 Å²	67	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-40.3	179.7	-72.8	179.8	177.8	-143.4	0	112.1	L121 S122 L123 Q128 L129 L250 I501	L121-K125 HydrophobicContact CG-CD 4.27Å; L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 3.33Å; S122-K125 PolarHBondContact O-N 2.87Å; L123-K125 PolarHBondContact O-N 3.24Å; K125-Q128 PolarHBondContact O-N 3Å; K125-L129 WeakPolarHBondContact O-CB 3.22Å; K125-L129 PolarHBondContact O-N 2.89Å; K125-L250 HydrophobicContact CB-CD1 3.99Å; K125-L250 HydrophobicContact CB-CD2 3.76Å; K125-L250 HydrophobicContact CD-CD2 3.97Å; K125-I501 HydrophobicContact CB-CG1 4.43Å; K125-I501 HydrophobicContact CD-CG2 4.12Å; K125-I501 HydrophobicContact CG-CG1 4.32Å; K125-I501 PolarHBondContact NZ-O 3.1Å
126	L	84.9	Confident	79.9	Confident	3 Å²	3	65 Å²	65	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-44.1	173.7	-78	175.9	0	0	0	111.9	S122 L123 Q128 L129 S130 L247 L250 H251 D408	S122-L126 PolarHBondContact O-N 2.86Å; L123-L126 PolarHBondContact O-N 3.01Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-Q128 PolarHBondContact O-N 3.24Å; L126-L129 PolarHBondContact O-N 2.87Å; L126-L129 VanDerWaalsContact O-N 3.17Å; L126-S130 WeakPolarHBondContact O-CB 3.43Å; L126-S130 PolarHBondContact O-N 2.93Å; L126-L247 HydrophobicContact CD2-CD1 3.88Å; L126-L250 WeakPolarHBondContact CD1-O 3.24Å; L126-L250 HydrophobicContact CD2-CB 3.53Å; L126-L250 HydrophobicContact CD2-CD1 4.29Å; L126-L250 HydrophobicContact CG-CB 3.85Å; L126-H251 HydrophobicContact CD2-CB 4.13Å; L126-D408 HydrophobicContact CD1-CB 4.27Å
127	H	86.9	Confident	81.9	Confident	135 Å²	135	57 Å²	57	63%	0.625	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-41.7	177.4	-177.8	72.5	0	0	0	112.3	L123 R124 L129 S130 K131	L123-H127 WeakPolarHBondContact O-CB 3.37Å; L123-H127 PolarHBondContact O-N 3.19Å; R124-H127 PolarHBondContact O-N 2.92Å; H127-L129 VanDerWaalsContact C-N 3.35Å; H127-L129 PolarHBondContact O-N 3.3Å; H127-S130 PolarHBondContact O-N 2.86Å; H127-K131 PolarHBondContact O-N 3.06Å
128	Q	85.5	Confident	84	Confident	60 Å²	60	59 Å²	59	28%	0.28	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-42	173.6	-73.7	172.9	-16.1	0	0	112.2	R124 K125 L126 K131 V132 L500	R124-Q128 WeakPolarHBondContact O-CG 3.38Å; R124-Q128 PolarHBondContact O-N 2.79Å; K125-Q128 PolarHBondContact O-N 3Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-Q128 PolarHBondContact O-N 3.24Å; Q128-K131 PolarHBondContact O-N 3Å; Q128-V132 WeakPolarHBondContact O-CG2 3.46Å; Q128-V132 PolarHBondContact O-N 2.62Å; Q128-V132 VanDerWaalsContact O-N 3.15Å; Q128-L500 PolarHBondContact OE1-O 2.83Å; Q128-L500 VanDerWaalsContact OE1-O 3.09Å
129	L	86.2	Confident	85.6	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-43.4	176.9	-177.5	62.5	0	0	0	111.5	K125 L126 H127 K131 V132 V133 L247 W257 W494 A497	K125-L129 WeakPolarHBondContact O-CB 3.22Å; K125-L129 PolarHBondContact O-N 2.89Å; L126-L129 PolarHBondContact O-N 2.87Å; L126-L129 VanDerWaalsContact O-N 3.17Å; H127-L129 VanDerWaalsContact C-N 3.35Å; H127-L129 PolarHBondContact O-N 3.3Å; L129-K131 PolarHBondContact O-N 3.41Å; L129-V132 PolarHBondContact O-N 3.13Å; L129-V133 PolarHBondContact O-N 3.49Å; L129-L247 HydrophobicContact CD2-CD1 4.04Å; L129-W257 HydrophobicContact CB-CH2 4.46Å; L129-W257 HydrophobicContact CB-CZ2 4.43Å; L129-W257 HydrophobicContact CD2-CH2 3.75Å; L129-W257 HydrophobicContact CD2-CZ2 4.15Å; L129-W257 HydrophobicContact CD2-CZ3 4.2Å; L129-W257 HydrophobicContact CG-CH2 3.67Å; L129-W257 HydrophobicContact CG-CZ2 4.1Å; L129-W257 HydrophobicContact CG-CZ3 4.49Å; L129-W494 HydrophobicContact CD1-CD2 4.45Å; L129-W494 HydrophobicContact CD1-CE3 4.18Å; L129-W494 HydrophobicContact CD1-CZ3 4.5Å; L129-A497 HydrophobicContact CD1-CB 4.42Å
130	S	90	Very high	86.9	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-55.9	-49.6	173.6	172.3	0	0	0	0	110.8	L126 H127 V132 V133 Q134 E261 H404	L126-S130 WeakPolarHBondContact O-CB 3.43Å; L126-S130 PolarHBondContact O-N 2.93Å; H127-S130 PolarHBondContact O-N 2.86Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.32Å; S130-V133 PolarHBondContact O-N 3.08Å; S130-Q134 WeakPolarHBondContact O-CG 3.49Å; S130-Q134 PolarHBondContact O-N 3Å; S130-E261 VanDerWaalsContact CB-OE1 3.26Å; S130-E261 WeakPolarHBondContact CB-OE1 3.47Å; S130-E261 WeakPolarHBondContact CB-OE2 3.37Å; S130-E261 PolarHBondContact OG-OE1 3.01Å; S130-E261 PolarHBondContact OG-OE2 3.31Å; S130-H404 PolarHBondContact OG-CE1 3.39Å; S130-H404 VanDerWaalsContact OG-CE1 3.22Å; S130-H404 PolarHBondContact OG-ND1 2.93Å
131	K	90.5	Very high	88.2	Confident	133 Å²	133	55.3 Å²	55.3	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-54.9	-40.7	176.6	-172.2	175.6	-177.1	174.7	0	112.8	H127 Q128 L129 N135	H127-K131 PolarHBondContact O-N 3.06Å; Q128-K131 PolarHBondContact O-N 3Å; L129-K131 PolarHBondContact O-N 3.41Å; K131-N135 WeakPolarHBondContact O-CB 3.01Å; K131-N135 PolarHBondContact O-N 2.93Å; K131-N135 PolarHBondContact O-OD1 2.87Å
132	V	89.5	Confident	89.4	Confident	30 Å²	30	52.8 Å²	52.8	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-43.4	176.7	170.2	0	0	0	0	111.6	Q128 L129 S130 Q136 A497	Q128-V132 WeakPolarHBondContact O-CG2 3.46Å; Q128-V132 PolarHBondContact O-N 2.62Å; Q128-V132 VanDerWaalsContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 3.13Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.32Å; V132-Q136 VanDerWaalsContact O-CG 3.28Å; V132-Q136 WeakPolarHBondContact O-CG 2.97Å; V132-Q136 PolarHBondContact O-N 2.86Å; V132-A497 HydrophobicContact CB-CB 4.22Å; V132-A497 HydrophobicContact CG1-CB 4.22Å; V132-A497 HydrophobicContact CG2-CB 3.76Å
133	V	90	Very high	90.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-45.9	177.4	172.9	0	0	0	0	111.2	L129 S130 N135 Q136 L137 W257 W258 E261 W494	L129-V133 PolarHBondContact O-N 3.49Å; S130-V133 PolarHBondContact O-N 3.08Å; V133-N135 VanDerWaalsContact C-N 3.35Å; V133-N135 PolarHBondContact O-N 3.03Å; V133-Q136 WeakPolarHBondContact O-CB 3.35Å; V133-Q136 PolarHBondContact O-N 3.34Å; V133-L137 HydrophobicContact CG1-CD1 3.99Å; V133-L137 HydrophobicContact CG1-CG 4.41Å; V133-L137 WeakPolarHBondContact O-CG 3.48Å; V133-L137 PolarHBondContact O-N 2.83Å; V133-W257 HydrophobicContact CG2-CH2 3.99Å; V133-W258 HydrophobicContact CG1-CE3 4.48Å; V133-W258 HydrophobicContact CG1-CH2 4.25Å; V133-W258 HydrophobicContact CG1-CZ3 3.65Å; V133-W258 HydrophobicContact CG2-CZ3 4.11Å; V133-E261 HydrophobicContact CG1-CB 3.92Å; V133-E261 HydrophobicContact CG1-CG 4.24Å; V133-W494 HydrophobicContact CG2-CZ2 4.29Å
134	Q	94.4	Very high	91	Very high	33 Å²	33	58.2 Å²	58.2	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-42.4	177.5	-68	-57.1	-43.4	0	0	112.1	S130 L137 Y138 E261	S130-Q134 WeakPolarHBondContact O-CG 3.49Å; S130-Q134 PolarHBondContact O-N 3Å; Q134-L137 PolarHBondContact O-N 2.87Å; Q134-Y138 WeakPolarHBondContact O-CB 3.44Å; Q134-Y138 PolarHBondContact O-N 3.22Å; Q134-E261 PolarHBondContact NE2-O 2.9Å; Q134-E261 PolarHBondContact NE2-OE2 2.84Å
135	N	94.1	Very high	91.5	Very high	86 Å²	86	51.8 Å²	51.8	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-43.2	174.5	-73.8	-5.8	0	0	0	111.8	K131 V133 L137 Y138 D139	K131-N135 WeakPolarHBondContact O-CB 3.01Å; K131-N135 PolarHBondContact O-N 2.93Å; K131-N135 PolarHBondContact O-OD1 2.87Å; V133-N135 VanDerWaalsContact C-N 3.35Å; V133-N135 PolarHBondContact O-N 3.03Å; N135-L137 VanDerWaalsContact C-N 3.35Å; N135-L137 PolarHBondContact O-N 3.21Å; N135-Y138 WeakPolarHBondContact O-CB 3Å; N135-Y138 PolarHBondContact O-N 3.46Å; N135-Y138 VanDerWaalsContact O-N 3.16Å; N135-D139 VanDerWaalsContact O-CG 3.27Å; N135-D139 PolarHBondContact O-N 3.33Å
136	Q	93.3	Very high	91.8	Very high	23 Å²	23	50 Å²	50	11%	0.107	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-40.6	176.8	-73.3	171.8	-3.1	0	0	112.5	V132 V133 Y138 L140 Y177 S493	V132-Q136 VanDerWaalsContact O-CG 3.28Å; V132-Q136 WeakPolarHBondContact O-CG 2.97Å; V132-Q136 PolarHBondContact O-N 2.86Å; V133-Q136 WeakPolarHBondContact O-CB 3.35Å; V133-Q136 PolarHBondContact O-N 3.34Å; Q136-Y138 VanDerWaalsContact C-N 3.32Å; Q136-L140 VanDerWaalsContact O-CB 3.22Å; Q136-L140 WeakPolarHBondContact O-CB 3.24Å; Q136-L140 PolarHBondContact O-N 2.82Å; Q136-Y177 HydrophobicContact CB-CE2 4.1Å; Q136-Y177 PolarHBondContact OE1-OH 3.26Å; Q136-S493 PolarHBondContact NE2-O 3.18Å; Q136-S493 VanDerWaalsContact NE2-O 3.16Å
137	L	95.3	Very high	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-41.5	173.7	-69.8	168	0	0	0	110.7	V133 Q134 N135 Q141 L173 Y177 L262 Y265	V133-L137 HydrophobicContact CG1-CD1 3.99Å; V133-L137 HydrophobicContact CG1-CG 4.41Å; V133-L137 WeakPolarHBondContact O-CG 3.48Å; V133-L137 PolarHBondContact O-N 2.83Å; Q134-L137 PolarHBondContact O-N 2.87Å; N135-L137 VanDerWaalsContact C-N 3.35Å; N135-L137 PolarHBondContact O-N 3.21Å; L137-Q141 WeakPolarHBondContact O-CB 3.3Å; L137-Q141 VanDerWaalsContact O-CG 3.3Å; L137-Q141 WeakPolarHBondContact O-CG 3.38Å; L137-Q141 PolarHBondContact O-N 3.42Å; L137-L173 HydrophobicContact CD2-CD1 4.33Å; L137-L173 HydrophobicContact CD2-CD2 4.29Å; L137-L173 HydrophobicContact CD2-CG 4.3Å; L137-Y177 HydrophobicContact CD2-CD2 3.73Å; L137-Y177 HydrophobicContact CD2-CE2 4.34Å; L137-Y177 HydrophobicContact CG-CD2 4.48Å; L137-L262 HydrophobicContact CD1-CD2 4.09Å; L137-L262 HydrophobicContact CD2-CD2 3.78Å; L137-Y265 HydrophobicContact CB-CD2 3.46Å; L137-Y265 VanDerWaalsContact CB-CD2 3.46Å; L137-Y265 HydrophobicContact CB-CE2 3.64Å; L137-Y265 HydrophobicContact CB-CG 3.94Å; L137-Y265 HydrophobicContact CD1-CD2 4.12Å; L137-Y265 HydrophobicContact CD1-CG 4.06Å; L137-Y265 HydrophobicContact CG-CD2 4.42Å
138	Y	96.4	Very high	91.9	Very high	110 Å²	110	56.9 Å²	56.9	43%	0.431	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-53.9	175.8	-173.7	-89.3	0	0	0	111.7	Q134 N135 Q136 L140 Q141 H142	Q134-Y138 WeakPolarHBondContact O-CB 3.44Å; Q134-Y138 PolarHBondContact O-N 3.22Å; N135-Y138 WeakPolarHBondContact O-CB 3Å; N135-Y138 PolarHBondContact O-N 3.46Å; N135-Y138 VanDerWaalsContact O-N 3.16Å; Q136-Y138 VanDerWaalsContact C-N 3.32Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.46Å; Y138-Q141 PolarHBondContact O-N 3.18Å; Y138-Q141 VanDerWaalsContact O-N 3.15Å; Y138-H142 AromaticContact CD2-CE1 3.7Å; Y138-H142 AromaticContact CD2-ND1 3.67Å; Y138-H142 HydrophobicContact CE1-CB 4.3Å; Y138-H142 AromaticContact CE2-CE1 3.5Å; Y138-H142 AromaticContact CE2-ND1 3.64Å; Y138-H142 AromaticContact CG-ND1 3.86Å; Y138-H142 AromaticContact CZ-CG 3.97Å; Y138-H142 AromaticContact CZ-ND1 3.81Å; Y138-H142 WeakPolarHBondContact O-CB 3.26Å; Y138-H142 PolarHBondContact O-N 3.47Å; Y138-H142 PolarHBondContact O-ND1 3.43Å
139	D	94.9	Very high	92.1	Very high	109 Å²	109	54.6 Å²	54.6	58%	0.583	27%	0.272	S	S	*	.	H	α-helix	trans	-61	-42.2	-179	-64.8	-19.2	0	0	0	111.7	N135 Q141 H142	N135-D139 VanDerWaalsContact O-CG 3.27Å; N135-D139 PolarHBondContact O-N 3.33Å; D139-Q141 VanDerWaalsContact C-N 3.32Å; D139-Q141 PolarHBondContact O-N 2.89Å; D139-H142 CarbonylContact O-C 3.55Å; D139-H142 PolarHBondContact O-N 3.13Å
140	L	95.5	Very high	92.4	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-40.1	176.4	175.7	61.7	0	0	0	112.4	Q136 Y138 Y177 R181 T182 F492	Q136-L140 VanDerWaalsContact O-CB 3.22Å; Q136-L140 WeakPolarHBondContact O-CB 3.24Å; Q136-L140 PolarHBondContact O-N 2.82Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.46Å; L140-Y177 HydrophobicContact CD2-CD2 4.11Å; L140-R181 WeakPolarHBondContact CD1-O 3.03Å; L140-T182 PolarHBondContact O-OG1 3.46Å; L140-F492 HydrophobicContact CB-CZ 4.27Å; L140-F492 HydrophobicContact CD1-CZ 4.05Å; L140-F492 HydrophobicContact CD2-CE2 4.32Å; L140-F492 HydrophobicContact CD2-CZ 4.17Å; L140-F492 HydrophobicContact CG-CZ 4.39Å
141	Q	97	Very high	92.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-82.4	-15.2	-179.5	-65.7	-53	-52.7	0	0	113.1	L137 Y138 D139 P143 L173 M183 V204 S205 Y265	L137-Q141 WeakPolarHBondContact O-CB 3.3Å; L137-Q141 VanDerWaalsContact O-CG 3.3Å; L137-Q141 WeakPolarHBondContact O-CG 3.38Å; L137-Q141 PolarHBondContact O-N 3.42Å; Y138-Q141 PolarHBondContact O-N 3.18Å; Y138-Q141 VanDerWaalsContact O-N 3.15Å; D139-Q141 VanDerWaalsContact C-N 3.32Å; D139-Q141 PolarHBondContact O-N 2.89Å; Q141-P143 WeakPolarHBondContact O-CD 3.25Å; Q141-L173 HydrophobicContact CG-CD1 4.42Å; Q141-M183 VanDerWaalsContact NE2-N 3.19Å; Q141-M183 PolarHBondContact OE1-O 2.88Å; Q141-V204 HydrophobicContact CG-CG1 4.12Å; Q141-S205 WeakPolarHBondContact O-CB 3.47Å; Q141-S205 PolarHBondContact O-OG 3.24Å; Q141-Y265 HydrophobicContact CB-CE1 4.41Å; Q141-Y265 VanDerWaalsContact CB-OH 3.28Å; Q141-Y265 WeakPolarHBondContact CB-OH 3.44Å; Q141-Y265 HydrophobicContact CG-CE1 3.8Å
142	H	95.8	Very high	92.4	Very high	31 Å²	31	51.9 Å²	51.9	14%	0.144	26%	0.256	C	S	.	.	S	Bend	trans	-116.3	64.7	-178.6	-62.9	83	0	0	0	112.3	Y138 D139 N206 S207	Y138-H142 AromaticContact CD2-CE1 3.7Å; Y138-H142 AromaticContact CD2-ND1 3.67Å; Y138-H142 HydrophobicContact CE1-CB 4.3Å; Y138-H142 AromaticContact CE2-CE1 3.5Å; Y138-H142 AromaticContact CE2-ND1 3.64Å; Y138-H142 AromaticContact CG-ND1 3.86Å; Y138-H142 AromaticContact CZ-CG 3.97Å; Y138-H142 AromaticContact CZ-ND1 3.81Å; Y138-H142 WeakPolarHBondContact O-CB 3.26Å; Y138-H142 PolarHBondContact O-N 3.47Å; Y138-H142 PolarHBondContact O-ND1 3.43Å; D139-H142 CarbonylContact O-C 3.55Å; D139-H142 PolarHBondContact O-N 3.13Å; H142-N206 PolarHBondContact NE2-N 3.05Å; H142-S207 VanDerWaalsContact CA-OG 3.29Å; H142-S207 WeakPolarHBondContact CA-OG 3.1Å
143	P	94.3	Very high	92.4	Very high	25 Å²	25	51.3 Å²	51.3	16%	0.162	25%	0.251	C	S	.	.			trans	-64.3	149.4	176.2	30.5	-36.2	0	0	0	110.7	Q141 S145 A149 T182 S207 C208	Q141-P143 WeakPolarHBondContact O-CD 3.25Å; P143-S145 PolarHBondContact O-N 2.82Å; P143-A149 HydrophobicContact CB-CB 3.76Å; P143-A149 HydrophobicContact CG-CB 3.72Å; P143-T182 HydrophobicContact CG-CG2 4.21Å; P143-S207 PolarHBondContact O-OG 3.43Å; P143-C208 HydrophobicContact CG-CB 4.01Å
144	L	92.4	Very high	92.5	Very high	192 Å²	192	51.3 Å²	51.3	100%	1.005	25%	0.251	S	S	*	.	S	Bend	trans	-59.9	-31.4	174.9	-65.7	175.2	0	0	0	112.8
145	S	91.4	Very high	92.4	Very high	43 Å²	43	50.9 Å²	50.9	30%	0.301	25%	0.252	S	S	.	.			trans	-138.6	109.5	175.2	171	0	0	0	0	109.1	P143 E147 K148 A149	P143-S145 PolarHBondContact O-N 2.82Å; S145-E147 VanDerWaalsContact C-N 3.26Å; S145-E147 PolarHBondContact O-N 3.06Å; S145-K148 PolarHBondContact O-N 2.72Å; S145-K148 PolarHBondContact OG-N 3.33Å; S145-A149 PolarHBondContact O-N 2.89Å
146	C	90	Very high	92.2	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.074	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.9	178.3	179.6	0	0	0	0	112.3	A149 S207 C208 Y212	C146-A149 PolarHBondContact O-N 2.91Å; C146-S207 WeakPolarHBondContact CB-O 3.06Å; C146-C208 VanDerWaalsContact CA-SG 3.58Å; C146-C208 HydrophobicContact CB-CB 3.48Å; C146-C208 VanDerWaalsContact CB-CB 3.48Å; C146-C208 WeakPolarHBondContact CB-SG 3.39Å; C146-C208 WeakPolarHBondContact SG-CA 3.3Å; C146-C208 WeakPolarHBondContact SG-CB 3.35Å; C146-C208 CovalentContact SG-SG 2.04Å; C146-C208 PolarHBondContact SG-SG 3.14Å; C146-Y212 HydrophobicContact CB-CE2 4.21Å
147	E	85.9	Confident	91.8	Very high	115 Å²	115	50.3 Å²	50.3	54%	0.537	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-54.9	175	-169.2	-169.9	162.3	0	0	109.8	S145 A149 R225	S145-E147 VanDerWaalsContact C-N 3.26Å; S145-E147 PolarHBondContact O-N 3.06Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.82Å; E147-R225 PolarHBondContact O-NE 3.39Å; E147-R225 VanDerWaalsContact O-NE 3.16Å; E147-R225 PolarHBondContact O-NH2 3.06Å
148	K	87.2	Confident	91.4	Very high	166 Å²	166	54.4 Å²	54.4	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.7	-178.6	-65.6	-179	-177.4	178	0	114.4	S145 R225	S145-K148 PolarHBondContact O-N 2.72Å; S145-K148 PolarHBondContact OG-N 3.33Å; K148-R225 VanDerWaalsContact CA-NH2 3.32Å
149	A	90.4	Very high	91	Very high	13 Å²	13	55.4 Å²	55.4	11%	0.107	29%	0.288	C	S	.	.	S	Bend	trans	-67	144.8	-179.2	0	0	0	0	0	112	P143 S145 C146 E147	P143-A149 HydrophobicContact CB-CB 3.76Å; P143-A149 HydrophobicContact CG-CB 3.72Å; S145-A149 PolarHBondContact O-N 2.89Å; C146-A149 PolarHBondContact O-N 2.91Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.82Å
150	R	91.1	Very high	90.7	Very high	92 Å²	92	51.5 Å²	51.5	35%	0.347	27%	0.269	S	S	.	.			trans	-74	128.6	164.7	-62.3	177.6	71.8	-168.9	8	107.5	R181 T182 C222 R225	R150-R181 HydrophobicContact CB-CG 4.01Å; R150-R181 CarbonylContact O-C 3.53Å; R150-R181 VanDerWaalsContact O-CA 3.22Å; R150-R181 WeakPolarHBondContact O-CA 3.44Å; R150-T182 PolarHBondContact O-N 2.8Å; R150-C222 PolarHBondContact NH2-O 2.81Å; R150-R225 CarbonylContact C-O 3.56Å; R150-R225 WeakPolarHBondContact CA-O 3.34Å
151	R	90.2	Very high	90.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.7	-172.2	-69.5	173.2	-72.8	-174.4	-4.7	111.9	I153 R181 T182 V184 Y210 Y212 D213 R225 I226 L227	R151-I153 HydrophobicContact CB-CD1 4.47Å; R151-R181 PolarHBondContact O-NH1 3.45Å; R151-T182 CarbonylContact C-O 3.45Å; R151-T182 VanDerWaalsContact CA-O 3.26Å; R151-T182 WeakPolarHBondContact CA-O 3.29Å; R151-V184 HydrophobicContact CB-CG2 4.47Å; R151-V184 HydrophobicContact CG-CG2 4.26Å; R151-Y210 PolarHBondContact NH1-O 3.35Å; R151-Y212 VanDerWaalsContact NH1-N 3.13Å; R151-D213 IonicContact CZ-OD1 3.08Å; R151-D213 IonicContact CZ-OD2 2.69Å; R151-D213 IonicContact NH2-OD1 3.76Å; R151-D213 PolarHBondContact NH2-OD1 3.04Å; R151-D213 IonicContact NH2-OD2 3.39Å; R151-D213 PolarHBondContact NH2-OD2 2.88Å; R151-R225 PolarHBondContact N-O 3.34Å; R151-I226 WeakPolarHBondContact O-CA 3.22Å; R151-L227 PolarHBondContact O-N 2.91Å
152	L	90.9	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.5	167.1	-174.8	151.2	0	0	0	108.2	C154 C172 V175 A176 R181 T182 M183 V184 L227 L229	L152-C154 HydrophobicContact CD2-CB 4.29Å; L152-C172 HydrophobicContact CD2-CB 4.06Å; L152-V175 HydrophobicContact CD1-CB 3.97Å; L152-V175 HydrophobicContact CD1-CG1 3.66Å; L152-A176 HydrophobicContact CB-CB 4.13Å; L152-A176 HydrophobicContact CD1-CB 4.11Å; L152-R181 HydrophobicContact CB-CB 4Å; L152-T182 PolarHBondContact N-O 3.34Å; L152-M183 HydrophobicContact CD2-CG 4.14Å; L152-M183 CarbonylContact O-C 3.54Å; L152-M183 WeakPolarHBondContact O-CA 3.37Å; L152-V184 PolarHBondContact O-N 3.33Å; L152-L227 CarbonylContact C-O 3.48Å; L152-L227 VanDerWaalsContact CA-O 3.22Å; L152-L227 WeakPolarHBondContact CA-O 3.43Å; L152-L227 HydrophobicContact CD1-CD2 4.11Å; L152-L229 HydrophobicContact CD1-CD1 3.86Å; L152-L229 HydrophobicContact CD1-CG 4.13Å; L152-L229 HydrophobicContact CD2-CD1 3.99Å; L152-L229 HydrophobicContact CD2-CG 4.28Å; L152-L229 HydrophobicContact CG-CD1 4.36Å; L152-L229 HydrophobicContact CG-CG 4.38Å
153	I	90.5	Very high	90.2	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.4	177.5	-46.5	-55.4	0	0	0	109	R151 V184 N211 I226 L227 T228 L229	R151-I153 HydrophobicContact CB-CD1 4.47Å; I153-V184 WeakPolarHBondContact CA-O 3.24Å; I153-V184 HydrophobicContact CD1-CB 3.76Å; I153-V184 HydrophobicContact CD1-CG1 4.31Å; I153-V184 HydrophobicContact CD1-CG2 4.2Å; I153-N211 HydrophobicContact CD1-CB 4.24Å; I153-I226 HydrophobicContact CD1-CG2 4.35Å; I153-I226 HydrophobicContact CG1-CG2 3.76Å; I153-L227 PolarHBondContact N-O 2.9Å; I153-T228 HydrophobicContact CB-CG2 4.38Å; I153-L229 PolarHBondContact O-N 3.33Å
154	C	92	Very high	90.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.9	175.8	-171.2	0	0	0	0	109.8	L152 C172 M183 V184 L185 N186	L152-C154 HydrophobicContact CD2-CB 4.29Å; C154-C172 HydrophobicContact CB-CB 3.44Å; C154-C172 VanDerWaalsContact CB-CB 3.44Å; C154-C172 WeakPolarHBondContact CB-SG 3.39Å; C154-C172 WeakPolarHBondContact SG-CB 3.21Å; C154-C172 CovalentContact SG-SG 2.04Å; C154-C172 PolarHBondContact SG-SG 3.2Å; C154-M183 HydrophobicContact CB-CG 4.23Å; C154-M183 HydrophobicContact CB-SD 4.08Å; C154-V184 PolarHBondContact N-O 3.25Å; C154-L185 HydrophobicContact CB-CD1 4.43Å; C154-L185 WeakPolarHBondContact O-CA 3.43Å; C154-N186 PolarHBondContact O-N 3.46Å
155	S	91.2	Very high	90.3	Very high	24 Å²	24	41.9 Å²	41.9	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.2	177.8	-62.5	0	0	0	0	111.2	D157 H168	S155-D157 VanDerWaalsContact C-N 3.34Å; S155-D157 WeakPolarHBondContact CB-OD1 3.21Å; S155-D157 PolarHBondContact O-N 2.76Å; S155-H168 PolarHBondContact O-CD2 3.13Å; S155-H168 VanDerWaalsContact O-CD2 3.25Å; S155-H168 PolarHBondContact O-NE2 3.02Å
156	L	90.9	Very high	90.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-96.2	56.5	175.6	-169.1	58.9	0	0	0	111.1	Q165 V169 L185 N186 D187 W190 W197	L156-Q165 HydrophobicContact CD1-CB 3.86Å; L156-V169 HydrophobicContact CD1-CG2 3.58Å; L156-L185 HydrophobicContact CB-CD1 4.2Å; L156-N186 PolarHBondContact N-O 3.25Å; L156-D187 HydrophobicContact CB-CB 4.33Å; L156-D187 HydrophobicContact CD2-CB 4.09Å; L156-W190 HydrophobicContact CD2-CB 4.24Å; L156-W190 HydrophobicContact CD2-CD2 3.66Å; L156-W190 HydrophobicContact CD2-CE3 4.31Å; L156-W190 HydrophobicContact CD2-CG 3.64Å; L156-W190 HydrophobicContact CD2-CZ2 4.31Å; L156-W190 HydrophobicContact CG-CB 4.48Å; L156-W190 HydrophobicContact CG-CD2 4.39Å; L156-W190 HydrophobicContact CG-CG 3.94Å; L156-W197 HydrophobicContact CD2-CE3 3.83Å; L156-W197 HydrophobicContact CD2-CZ3 4.43Å
157	D	85.3	Confident	90.7	Very high	96 Å²	96	39.7 Å²	39.7	51%	0.513	21%	0.21	S	C	.	.			trans	-123	6.3	-174.1	59.6	-2.2	0	0	0	112.8	S155	S155-D157 VanDerWaalsContact C-N 3.34Å; S155-D157 WeakPolarHBondContact CB-OD1 3.21Å; S155-D157 PolarHBondContact O-N 2.76Å
158	K	86.9	Confident	91.1	Very high	86 Å²	86	35.8 Å²	35.8	37%	0.374	19%	0.192	S	C	.	.			trans	-62.3	125.9	-177.4	-168.9	178.8	177.1	-173.4	0	110.6	C160 Q165 H168	K158-C160 VanDerWaalsContact C-N 3.25Å; K158-C160 PolarHBondContact O-N 2.89Å; K158-Q165 PolarHBondContact O-NE2 3.26Å; K158-H168 HydrophobicContact CD-CB 3.94Å
159	P	87	Confident	91.5	Very high	131 Å²	131	27.9 Å²	27.9	85%	0.851	16%	0.158	S	C	*	.	S	Bend	trans	-78.5	71.3	-175.5	32.5	-36.6	0	0	0	111.3
160	C	88.8	Confident	91.7	Very high	27 Å²	27	27.3 Å²	27.3	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-151.6	173.8	174.7	60.4	0	0	0	0	110.8	K158 C164 Q165	K158-C160 VanDerWaalsContact C-N 3.25Å; K158-C160 PolarHBondContact O-N 2.89Å; C160-C164 HydrophobicContact CB-CB 3.67Å; C160-C164 WeakPolarHBondContact CB-SG 3.36Å; C160-C164 WeakPolarHBondContact SG-CB 3.49Å; C160-C164 CovalentContact SG-SG 2.04Å; C160-C164 PolarHBondContact SG-SG 3.3Å; C160-Q165 PolarHBondContact O-NE2 3.4Å
161	G	89.2	Confident	91.8	Very high	30 Å²	30	25 Å²	25	31%	0.309	14%	0.144	S	C	.	.			trans	-66.2	166.7	179.3	0	0	0	0	0	113.9	A163 C164 Q165 Y192	G161-A163 PolarHBondContact O-N 2.98Å; G161-C164 WeakPolarHBondContact O-CA 3.38Å; G161-C164 WeakPolarHBondContact O-CB 3.34Å; G161-C164 PolarHBondContact O-N 3.14Å; G161-Q165 PolarHBondContact O-N 2.91Å; G161-Q165 VanDerWaalsContact O-N 3.08Å; G161-Y192 WeakPolarHBondContact CA-OH 3.26Å
162	F	93.3	Very high	91.9	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-44.7	-56.7	-174.4	174.7	-105.8	0	0	0	113.8	C164 Q165 V166 W190 Y192 F201 M267 L370 I373 V374 I377 L397	F162-C164 VanDerWaalsContact C-N 3.27Å; F162-C164 PolarHBondContact O-N 2.92Å; F162-Q165 CarbonylContact O-C 3.49Å; F162-Q165 WeakPolarHBondContact O-CA 3.46Å; F162-Q165 WeakPolarHBondContact O-CB 3.35Å; F162-Q165 PolarHBondContact O-N 2.9Å; F162-V166 HydrophobicContact CD1-CG2 4.32Å; F162-V166 HydrophobicContact CD2-CG2 4.22Å; F162-V166 HydrophobicContact CE1-CG2 3.81Å; F162-V166 HydrophobicContact CE2-CG2 3.69Å; F162-V166 HydrophobicContact CG-CG2 4.49Å; F162-V166 HydrophobicContact CZ-CG2 3.46Å; F162-V166 VanDerWaalsContact CZ-CG2 3.46Å; F162-V166 PolarHBondContact O-N 3.39Å; F162-W190 HydrophobicContact CD2-CH2 4.47Å; F162-W190 AromaticContact CD2-CZ2 3.88Å; F162-W190 HydrophobicContact CD2-CZ2 3.88Å; F162-W190 HydrophobicContact CE2-CH2 4.15Å; F162-W190 AromaticContact CE2-CZ2 3.91Å; F162-W190 HydrophobicContact CE2-CZ2 3.91Å; F162-Y192 HydrophobicContact CB-CE1 4.02Å; F162-Y192 HydrophobicContact CB-CE2 3.87Å; F162-Y192 PolarHBondContact N-OH 3.22Å; F162-F201 HydrophobicContact CE2-CE2 4.17Å; F162-F201 AromaticContact CZ-CE2 3.96Å; F162-F201 HydrophobicContact CZ-CE2 3.96Å; F162-F201 AromaticContact CZ-CZ 3.92Å; F162-F201 HydrophobicContact CZ-CZ 3.92Å; F162-M267 HydrophobicContact CE1-CE 4.31Å; F162-M267 HydrophobicContact CZ-CE 4.3Å; F162-L370 HydrophobicContact CD2-CD1 3.51Å; F162-L370 HydrophobicContact CE2-CD1 3.47Å; F162-L370 VanDerWaalsContact CE2-CD1 3.47Å; F162-L370 HydrophobicContact CG-CD1 4.37Å; F162-L370 HydrophobicContact CZ-CD1 4.29Å; F162-I373 HydrophobicContact CB-CG2 4.13Å; F162-I373 HydrophobicContact CD1-CG1 4.12Å; F162-I373 HydrophobicContact CD1-CG2 3.78Å; F162-I373 HydrophobicContact CE1-CG2 4.39Å; F162-I373 HydrophobicContact CG-CG2 3.9Å; F162-V374 HydrophobicContact CE1-CG2 3.97Å; F162-V374 HydrophobicContact CE2-CG2 4.28Å; F162-V374 HydrophobicContact CZ-CG2 3.65Å; F162-I377 HydrophobicContact CD1-CD1 3.8Å; F162-I377 HydrophobicContact CE1-CD1 3.61Å; F162-L397 HydrophobicContact CE1-CD2 4.25Å
163	A	94.9	Very high	92.1	Very high	3 Å²	3	25 Å²	25	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-31.2	-177.1	0	0	0	0	0	113.1	G161 H167 Q393 V394 L397	G161-A163 PolarHBondContact O-N 2.98Å; A163-H167 PolarHBondContact O-N 2.86Å; A163-H167 PolarHBondContact O-ND1 3.01Å; A163-Q393 VanDerWaalsContact CB-C 3.49Å; A163-Q393 HydrophobicContact CB-CB 3.66Å; A163-Q393 WeakPolarHBondContact CB-O 3.29Å; A163-V394 HydrophobicContact CB-CG2 4.05Å; A163-L397 HydrophobicContact CB-CB 4.29Å; A163-L397 HydrophobicContact CB-CD2 3.85Å
164	C	94	Very high	92.1	Very high	15 Å²	15	24.1 Å²	24.1	10%	0.101	14%	0.14	C	C	.	.	H	α-helix	trans	-69.9	-35.7	173.1	165.2	0	0	0	0	112.4	C160 G161 F162 H168 Q393	C160-C164 HydrophobicContact CB-CB 3.67Å; C160-C164 WeakPolarHBondContact CB-SG 3.36Å; C160-C164 WeakPolarHBondContact SG-CB 3.49Å; C160-C164 CovalentContact SG-SG 2.04Å; C160-C164 PolarHBondContact SG-SG 3.3Å; G161-C164 WeakPolarHBondContact O-CA 3.38Å; G161-C164 WeakPolarHBondContact O-CB 3.34Å; G161-C164 PolarHBondContact O-N 3.14Å; F162-C164 VanDerWaalsContact C-N 3.27Å; F162-C164 PolarHBondContact O-N 2.92Å; C164-H168 PolarHBondContact O-N 3.04Å; C164-H168 VanDerWaalsContact O-N 3.09Å; C164-Q393 HydrophobicContact CB-CG 4.17Å
165	Q	94.5	Very high	92	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-42.6	173.4	-68.9	176.4	-23.6	0	0	111.2	L156 K158 C160 G161 F162 H167 H168 V169 S191 Y192	L156-Q165 HydrophobicContact CD1-CB 3.86Å; K158-Q165 PolarHBondContact O-NE2 3.26Å; C160-Q165 PolarHBondContact O-NE2 3.4Å; G161-Q165 PolarHBondContact O-N 2.91Å; G161-Q165 VanDerWaalsContact O-N 3.08Å; F162-Q165 CarbonylContact O-C 3.49Å; F162-Q165 WeakPolarHBondContact O-CA 3.46Å; F162-Q165 WeakPolarHBondContact O-CB 3.35Å; F162-Q165 PolarHBondContact O-N 2.9Å; Q165-H167 PolarHBondContact O-N 2.95Å; Q165-H168 WeakPolarHBondContact O-CA 3.48Å; Q165-H168 VanDerWaalsContact O-CB 3.27Å; Q165-H168 WeakPolarHBondContact O-CB 3.22Å; Q165-H168 PolarHBondContact O-N 2.62Å; Q165-V169 PolarHBondContact O-N 3.11Å; Q165-S191 PolarHBondContact NE2-OG 3.44Å; Q165-Y192 VanDerWaalsContact OE1-CD2 3.28Å
166	V	96.2	Very high	92	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-45.8	173.8	175.1	0	0	0	0	110.9	F162 H168 V169 T170 W197 M267 L397	F162-V166 HydrophobicContact CD1-CG2 4.32Å; F162-V166 HydrophobicContact CD2-CG2 4.22Å; F162-V166 HydrophobicContact CE1-CG2 3.81Å; F162-V166 HydrophobicContact CE2-CG2 3.69Å; F162-V166 HydrophobicContact CG-CG2 4.49Å; F162-V166 HydrophobicContact CZ-CG2 3.46Å; F162-V166 VanDerWaalsContact CZ-CG2 3.46Å; F162-V166 PolarHBondContact O-N 3.39Å; V166-H168 PolarHBondContact O-N 2.75Å; V166-V169 PolarHBondContact O-N 3.23Å; V166-V169 VanDerWaalsContact O-N 3.08Å; V166-T170 PolarHBondContact O-N 2.86Å; V166-T170 PolarHBondContact O-OG1 3.13Å; V166-T170 VanDerWaalsContact O-OG1 3.05Å; V166-W197 HydrophobicContact CG2-CH2 4.44Å; V166-W197 HydrophobicContact CG2-CZ3 4.46Å; V166-M267 HydrophobicContact CG1-CG 4.42Å; V166-M267 HydrophobicContact CG1-SD 4.13Å; V166-L397 HydrophobicContact CB-CD2 3.94Å; V166-L397 HydrophobicContact CG1-CD1 3.75Å; V166-L397 HydrophobicContact CG1-CD2 3.9Å; V166-L397 HydrophobicContact CG2-CD2 4.21Å
167	H	95.5	Very high	92	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.032	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-32.9	173.2	-66.4	151.6	0	0	0	112.6	A163 Q165 T170 Y171 Q393 E400 Y422	A163-H167 PolarHBondContact O-N 2.86Å; A163-H167 PolarHBondContact O-ND1 3.01Å; Q165-H167 PolarHBondContact O-N 2.95Å; H167-T170 PolarHBondContact O-N 3.48Å; H167-Y171 WeakPolarHBondContact O-CB 2.91Å; H167-Y171 PolarHBondContact O-N 3.28Å; H167-Q393 PolarHBondContact CE1-OE1 3.05Å; H167-Q393 PolarHBondContact ND1-OE1 3.33Å; H167-E400 IonicContact CD2-OE2 3.77Å; H167-E400 PolarHBondContact CD2-OE2 3.06Å; H167-E400 IonicContact NE2-OE1 3.79Å; H167-E400 IonicContact NE2-OE2 2.8Å; H167-E400 PolarHBondContact NE2-OE2 2.72Å; H167-Y422 HydrophobicContact CB-CE2 4.25Å; H167-Y422 PolarHBondContact O-OH 3.38Å
168	H	93.7	Very high	92.1	Very high	34 Å²	34	19.4 Å²	19.4	16%	0.157	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-45.3	172.4	178.1	46.9	0	0	0	112.2	S155 K158 C164 Q165 V166 Y171 C172	S155-H168 PolarHBondContact O-CD2 3.13Å; S155-H168 VanDerWaalsContact O-CD2 3.25Å; S155-H168 PolarHBondContact O-NE2 3.02Å; K158-H168 HydrophobicContact CD-CB 3.94Å; C164-H168 PolarHBondContact O-N 3.04Å; C164-H168 VanDerWaalsContact O-N 3.09Å; Q165-H168 WeakPolarHBondContact O-CA 3.48Å; Q165-H168 VanDerWaalsContact O-CB 3.27Å; Q165-H168 WeakPolarHBondContact O-CB 3.22Å; Q165-H168 PolarHBondContact O-N 2.62Å; V166-H168 PolarHBondContact O-N 2.75Å; H168-Y171 WeakPolarHBondContact O-CB 3.37Å; H168-Y171 PolarHBondContact O-N 3.33Å; H168-C172 PolarHBondContact O-N 2.96Å; H168-C172 PolarHBondContact O-SG 2.9Å
169	V	94.7	Very high	92.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-41	177.3	-176.1	0	0	0	0	111.5	L156 Q165 V166 Y171 C172 L173 M183 L185 W197 L266	L156-V169 HydrophobicContact CD1-CG2 3.58Å; Q165-V169 PolarHBondContact O-N 3.11Å; V166-V169 PolarHBondContact O-N 3.23Å; V166-V169 VanDerWaalsContact O-N 3.08Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 2.76Å; V169-C172 WeakPolarHBondContact O-CB 3.48Å; V169-C172 PolarHBondContact O-N 3.48Å; V169-C172 VanDerWaalsContact O-N 3.16Å; V169-L173 PolarHBondContact O-N 3.37Å; V169-M183 HydrophobicContact CG1-CE 3.81Å; V169-L185 HydrophobicContact CG1-CD1 4.01Å; V169-L185 HydrophobicContact CG2-CD1 3.86Å; V169-W197 HydrophobicContact CG2-CZ3 4.46Å; V169-L266 HydrophobicContact CB-CD1 4.33Å; V169-L266 HydrophobicContact CG1-CD1 3.86Å; V169-L266 HydrophobicContact CG1-CD2 3.78Å; V169-L266 HydrophobicContact CG1-CG 4.45Å
170	T	95.6	Very high	92.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.6	-43.6	173.8	-60.9	0	0	0	0	111.3	V166 H167 L173 Q174 T259 L262 V263 Y422	V166-T170 PolarHBondContact O-N 2.86Å; V166-T170 PolarHBondContact O-OG1 3.13Å; V166-T170 VanDerWaalsContact O-OG1 3.05Å; H167-T170 PolarHBondContact O-N 3.48Å; T170-L173 PolarHBondContact O-N 3.4Å; T170-Q174 WeakPolarHBondContact O-CB 3.01Å; T170-Q174 PolarHBondContact O-N 3.22Å; T170-T259 HydrophobicContact CG2-CG2 4Å; T170-L262 HydrophobicContact CG2-CB 3.8Å; T170-L262 HydrophobicContact CG2-CD1 4.1Å; T170-V263 HydrophobicContact CG2-CG2 4.08Å; T170-Y422 WeakPolarHBondContact CB-OH 3.44Å; T170-Y422 HydrophobicContact CG2-CE2 4.47Å
171	Y	92.1	Very high	92.5	Very high	43 Å²	43	13.6 Å²	13.6	17%	0.169	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-46	174.7	172.7	-99.1	0	0	0	112	H167 H168 V169 L173 Q174 V175 L229 L233 V234 Y422	H167-Y171 WeakPolarHBondContact O-CB 2.91Å; H167-Y171 PolarHBondContact O-N 3.28Å; H168-Y171 WeakPolarHBondContact O-CB 3.37Å; H168-Y171 PolarHBondContact O-N 3.33Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 2.76Å; Y171-L173 VanDerWaalsContact C-N 3.33Å; Y171-L173 PolarHBondContact O-N 3.05Å; Y171-Q174 WeakPolarHBondContact O-CB 3.48Å; Y171-Q174 PolarHBondContact O-N 3.46Å; Y171-V175 HydrophobicContact CD1-CG2 4.43Å; Y171-V175 HydrophobicContact CE1-CG2 3.96Å; Y171-V175 HydrophobicContact CE2-CG2 4.08Å; Y171-V175 WeakPolarHBondContact O-CG2 3.26Å; Y171-V175 PolarHBondContact O-N 2.89Å; Y171-L229 HydrophobicContact CD1-CD1 4.4Å; Y171-L229 HydrophobicContact CE1-CD1 4.04Å; Y171-L233 PolarHBondContact OH-O 3.42Å; Y171-V234 PolarHBondContact OH-O 2.59Å; Y171-Y422 PolarHBondContact N-OH 3.08Å; Y171-Y422 VanDerWaalsContact N-OH 3.14Å
172	C	93.1	Very high	92.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.3	-46.1	175.4	-71.5	0	0	0	0	111.8	L152 C154 H168 V169 Q174 V175 A176 M183 L229	L152-C172 HydrophobicContact CD2-CB 4.06Å; C154-C172 HydrophobicContact CB-CB 3.44Å; C154-C172 VanDerWaalsContact CB-CB 3.44Å; C154-C172 WeakPolarHBondContact CB-SG 3.39Å; C154-C172 WeakPolarHBondContact SG-CB 3.21Å; C154-C172 CovalentContact SG-SG 2.04Å; C154-C172 PolarHBondContact SG-SG 3.2Å; H168-C172 PolarHBondContact O-N 2.96Å; H168-C172 PolarHBondContact O-SG 2.9Å; V169-C172 WeakPolarHBondContact O-CB 3.48Å; V169-C172 PolarHBondContact O-N 3.48Å; V169-C172 VanDerWaalsContact O-N 3.16Å; C172-Q174 VanDerWaalsContact C-N 3.31Å; C172-Q174 PolarHBondContact O-N 3.23Å; C172-V175 PolarHBondContact O-N 3.23Å; C172-A176 WeakPolarHBondContact O-CB 3.03Å; C172-A176 PolarHBondContact O-N 3.19Å; C172-M183 HydrophobicContact CB-SD 3.49Å; C172-M183 WeakPolarHBondContact CB-SD 3.46Å; C172-L229 HydrophobicContact CB-CD1 4.42Å
173	L	94.7	Very high	92.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63	-40.2	179	-179.1	61.4	0	0	0	111	L137 Q141 V169 T170 Y171 A176 Y177 M183 L262 Y265 L266	L137-L173 HydrophobicContact CD2-CD1 4.33Å; L137-L173 HydrophobicContact CD2-CD2 4.29Å; L137-L173 HydrophobicContact CD2-CG 4.3Å; Q141-L173 HydrophobicContact CG-CD1 4.42Å; V169-L173 PolarHBondContact O-N 3.37Å; T170-L173 PolarHBondContact O-N 3.4Å; Y171-L173 VanDerWaalsContact C-N 3.33Å; Y171-L173 PolarHBondContact O-N 3.05Å; L173-A176 WeakPolarHBondContact O-CB 3.49Å; L173-A176 PolarHBondContact O-N 3.2Å; L173-Y177 WeakPolarHBondContact O-CB 3.07Å; L173-Y177 PolarHBondContact O-N 2.88Å; L173-M183 HydrophobicContact CB-CE 4.06Å; L173-M183 HydrophobicContact CB-SD 3.91Å; L173-M183 HydrophobicContact CD1-CB 4.45Å; L173-M183 HydrophobicContact CD1-CE 4.32Å; L173-M183 PolarHBondContact N-SD 3.31Å; L173-L262 HydrophobicContact CD2-CB 4.38Å; L173-L262 HydrophobicContact CD2-CD2 4.08Å; L173-L262 HydrophobicContact CG-CD2 4.17Å; L173-Y265 HydrophobicContact CD2-CD1 4.05Å; L173-L266 HydrophobicContact CB-CD1 4.33Å; L173-L266 HydrophobicContact CD2-CD1 3.99Å; L173-L266 HydrophobicContact CD2-CD2 3.85Å; L173-L266 HydrophobicContact CD2-CG 3.67Å
174	Q	91.1	Very high	92.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.8	-48.1	175	-171.7	171.6	7.3	0	0	111.7	T170 Y171 C172 A176 Y177 Y178 F236 L262	T170-Q174 WeakPolarHBondContact O-CB 3.01Å; T170-Q174 PolarHBondContact O-N 3.22Å; Y171-Q174 WeakPolarHBondContact O-CB 3.48Å; Y171-Q174 PolarHBondContact O-N 3.46Å; C172-Q174 VanDerWaalsContact C-N 3.31Å; C172-Q174 PolarHBondContact O-N 3.23Å; Q174-A176 VanDerWaalsContact C-N 3.29Å; Q174-A176 PolarHBondContact O-N 3.42Å; Q174-Y177 WeakPolarHBondContact O-CB 3.25Å; Q174-Y177 PolarHBondContact O-N 3.04Å; Q174-Y178 HydrophobicContact CG-CD2 3.85Å; Q174-Y178 HydrophobicContact CG-CE2 3.83Å; Q174-Y178 VanDerWaalsContact O-CD2 3.26Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.34Å; Q174-Y178 PolarHBondContact O-N 2.88Å; Q174-F236 HydrophobicContact CG-CB 4.13Å; Q174-F236 PolarHBondContact NE2-O 3.12Å; Q174-L262 HydrophobicContact CB-CD1 3.68Å; Q174-L262 HydrophobicContact CG-CD1 4.04Å
175	V	88.6	Confident	92.8	Very high	6 Å²	6	13 Å²	13	4%	0.036	7%	0.065	C	C	.	.	H	α-helix	trans	-62.5	-40.2	176.6	178.6	0	0	0	0	110.6	L152 Y171 C172 Y177 Y178 T179 L229 F236	L152-V175 HydrophobicContact CD1-CB 3.97Å; L152-V175 HydrophobicContact CD1-CG1 3.66Å; Y171-V175 HydrophobicContact CD1-CG2 4.43Å; Y171-V175 HydrophobicContact CE1-CG2 3.96Å; Y171-V175 HydrophobicContact CE2-CG2 4.08Å; Y171-V175 WeakPolarHBondContact O-CG2 3.26Å; Y171-V175 PolarHBondContact O-N 2.89Å; C172-V175 PolarHBondContact O-N 3.23Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.45Å; V175-Y178 PolarHBondContact O-N 2.94Å; V175-T179 HydrophobicContact CG1-CG2 4.19Å; V175-T179 WeakPolarHBondContact O-CB 3.36Å; V175-T179 WeakPolarHBondContact O-CG2 3.35Å; V175-T179 PolarHBondContact O-N 3.4Å; V175-T179 PolarHBondContact O-OG1 3.26Å; V175-L229 HydrophobicContact CB-CD1 3.89Å; V175-L229 HydrophobicContact CG1-CD1 4.05Å; V175-L229 HydrophobicContact CG1-CD2 4.4Å; V175-L229 HydrophobicContact CG2-CD1 3.97Å; V175-F236 HydrophobicContact CG2-CD2 3.93Å
176	A	92.2	Very high	92.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-44	177.6	0	0	0	0	0	111.1	L152 C172 L173 Q174 T179 N180 R181 M183	L152-A176 HydrophobicContact CB-CB 4.13Å; L152-A176 HydrophobicContact CD1-CB 4.11Å; C172-A176 WeakPolarHBondContact O-CB 3.03Å; C172-A176 PolarHBondContact O-N 3.19Å; L173-A176 WeakPolarHBondContact O-CB 3.49Å; L173-A176 PolarHBondContact O-N 3.2Å; Q174-A176 VanDerWaalsContact C-N 3.29Å; Q174-A176 PolarHBondContact O-N 3.42Å; A176-T179 PolarHBondContact O-N 3.42Å; A176-T179 PolarHBondContact O-OG1 3.47Å; A176-N180 PolarHBondContact O-N 3.44Å; A176-R181 CarbonylContact C-O 3.5Å; A176-R181 VanDerWaalsContact CB-O 3.27Å; A176-R181 WeakPolarHBondContact CB-O 3.45Å; A176-R181 PolarHBondContact O-N 3.24Å; A176-M183 HydrophobicContact CB-CB 3.94Å
177	Y	91.7	Very high	92.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-52.2	174.2	-175	-90.6	0	0	0	112.1	Q136 L137 L140 L173 Q174 V175 T179 N180 W258 T490 P491 F492 W494	Q136-Y177 HydrophobicContact CB-CE2 4.1Å; Q136-Y177 PolarHBondContact OE1-OH 3.26Å; L137-Y177 HydrophobicContact CD2-CD2 3.73Å; L137-Y177 HydrophobicContact CD2-CE2 4.34Å; L137-Y177 HydrophobicContact CG-CD2 4.48Å; L140-Y177 HydrophobicContact CD2-CD2 4.11Å; L173-Y177 WeakPolarHBondContact O-CB 3.07Å; L173-Y177 PolarHBondContact O-N 2.88Å; Q174-Y177 WeakPolarHBondContact O-CB 3.25Å; Q174-Y177 PolarHBondContact O-N 3.04Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.45Å; Y177-T179 PolarHBondContact O-N 2.83Å; Y177-N180 PolarHBondContact O-N 3.06Å; Y177-W258 AromaticContact CD1-CH2 3.82Å; Y177-W258 HydrophobicContact CD1-CH2 3.82Å; Y177-W258 AromaticContact CD1-CZ2 3.87Å; Y177-W258 HydrophobicContact CD1-CZ2 3.87Å; Y177-W258 AromaticContact CE1-CH2 3.52Å; Y177-W258 HydrophobicContact CE1-CH2 3.52Å; Y177-W258 AromaticContact CE1-CZ2 3.99Å; Y177-W258 HydrophobicContact CE1-CZ2 3.99Å; Y177-W258 HydrophobicContact CE2-CH2 4.25Å; Y177-W258 HydrophobicContact CG-CH2 4.31Å; Y177-W258 HydrophobicContact CG-CZ2 4.39Å; Y177-W258 AromaticContact CZ-CH2 3.76Å; Y177-T490 WeakPolarHBondContact CE1-OG1 3.45Å; Y177-P491 WeakPolarHBondContact O-CG 3.21Å; Y177-F492 HydrophobicContact CD1-CD2 4.14Å; Y177-F492 HydrophobicContact CD1-CE2 4.27Å; Y177-F492 AromaticContact CD2-CD2 3.87Å; Y177-F492 HydrophobicContact CD2-CD2 3.87Å; Y177-F492 AromaticContact CD2-CE2 3.62Å; Y177-F492 HydrophobicContact CD2-CE2 3.62Å; Y177-F492 AromaticContact CE1-CD2 3.71Å; Y177-F492 HydrophobicContact CE1-CD2 3.71Å; Y177-F492 HydrophobicContact CE1-CE2 4.29Å; Y177-F492 AromaticContact CE2-CD2 3.41Å; Y177-F492 HydrophobicContact CE2-CD2 3.41Å; Y177-F492 VanDerWaalsContact CE2-CD2 3.41Å; Y177-F492 AromaticContact CE2-CE2 3.64Å; Y177-F492 HydrophobicContact CE2-CE2 3.64Å; Y177-F492 HydrophobicContact CE2-CG 4.2Å; Y177-F492 HydrophobicContact CG-CD2 4.21Å; Y177-F492 AromaticContact CG-CE2 3.96Å; Y177-F492 HydrophobicContact CG-CE2 3.96Å; Y177-F492 AromaticContact CZ-CD2 3.32Å; Y177-F492 AromaticContact CZ-CE2 3.98Å; Y177-F492 VanDerWaalsContact O-CE2 3.29Å; Y177-F492 WeakPolarHBondContact O-CE2 3.43Å; Y177-W494 PolarHBondContact OH-NE1 2.98Å
178	Y	86.4	Confident	92	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.071	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-20.5	-179	-79.9	-70.4	0	0	0	114.3	Q174 V175 F236 L239 S241 W258 A488 K489	Q174-Y178 HydrophobicContact CG-CD2 3.85Å; Q174-Y178 HydrophobicContact CG-CE2 3.83Å; Q174-Y178 VanDerWaalsContact O-CD2 3.26Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.34Å; Q174-Y178 PolarHBondContact O-N 2.88Å; V175-Y178 PolarHBondContact O-N 2.94Å; Y178-F236 HydrophobicContact CD1-CD1 4.34Å; Y178-F236 HydrophobicContact CD1-CE1 4.24Å; Y178-F236 AromaticContact CD2-CD1 3.51Å; Y178-F236 HydrophobicContact CD2-CD1 3.51Å; Y178-F236 HydrophobicContact CD2-CE1 4.09Å; Y178-F236 HydrophobicContact CD2-CG 4.24Å; Y178-F236 HydrophobicContact CE2-CD1 4.17Å; Y178-F236 AromaticContact CG-CD1 3.62Å; Y178-F236 HydrophobicContact CG-CD1 3.62Å; Y178-F236 AromaticContact CG-CE1 3.7Å; Y178-F236 HydrophobicContact CG-CE1 3.7Å; Y178-L239 PolarHBondContact OH-O 3.26Å; Y178-S241 PolarHBondContact OH-N 2.95Å; Y178-W258 HydrophobicContact CE2-CZ2 4.23Å; Y178-A488 HydrophobicContact CD1-CB 4.07Å; Y178-A488 HydrophobicContact CE1-CB 3.66Å; Y178-K489 WeakPolarHBondContact CD1-O 3.42Å
179	T	87	Confident	91.5	Very high	40 Å²	40	25.8 Å²	25.8	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-102.4	4	179.5	59	0	0	0	0	113.9	V175 A176 Y177 R181	V175-T179 HydrophobicContact CG1-CG2 4.19Å; V175-T179 WeakPolarHBondContact O-CB 3.36Å; V175-T179 WeakPolarHBondContact O-CG2 3.35Å; V175-T179 PolarHBondContact O-N 3.4Å; V175-T179 PolarHBondContact O-OG1 3.26Å; A176-T179 PolarHBondContact O-N 3.42Å; A176-T179 PolarHBondContact O-OG1 3.47Å; Y177-T179 PolarHBondContact O-N 2.83Å; T179-R181 VanDerWaalsContact OG1-CD 3.32Å; T179-R181 WeakPolarHBondContact OG1-CD 3.38Å; T179-R181 WeakPolarHBondContact OG1-CG 3.25Å
180	N	91.2	Very high	91.4	Very high	78 Å²	78	26.3 Å²	26.3	42%	0.417	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	54.2	-174.4	-164.1	30.3	0	0	0	112.3	A176 Y177 P491 F492	A176-N180 PolarHBondContact O-N 3.44Å; Y177-N180 PolarHBondContact O-N 3.06Å; N180-P491 HydrophobicContact CB-CB 4.25Å; N180-P491 HydrophobicContact CB-CG 3.94Å; N180-F492 WeakPolarHBondContact OD1-CZ 3.49Å
181	R	92.1	Very high	91.1	Very high	4 Å²	4	29 Å²	29	2%	0.015	16%	0.163	C	C	.	.			trans	-123.2	138	178.3	-63.1	177.3	-178.8	-86.1	0.2	110.6	L140 R150 R151 L152 A176 T179 C222 C224 R225	L140-R181 WeakPolarHBondContact CD1-O 3.03Å; R150-R181 HydrophobicContact CB-CG 4.01Å; R150-R181 CarbonylContact O-C 3.53Å; R150-R181 VanDerWaalsContact O-CA 3.22Å; R150-R181 WeakPolarHBondContact O-CA 3.44Å; R151-R181 PolarHBondContact O-NH1 3.45Å; L152-R181 HydrophobicContact CB-CB 4Å; A176-R181 CarbonylContact C-O 3.5Å; A176-R181 VanDerWaalsContact CB-O 3.27Å; A176-R181 WeakPolarHBondContact CB-O 3.45Å; A176-R181 PolarHBondContact O-N 3.24Å; T179-R181 VanDerWaalsContact OG1-CD 3.32Å; T179-R181 WeakPolarHBondContact OG1-CD 3.38Å; T179-R181 WeakPolarHBondContact OG1-CG 3.25Å; R181-C222 PolarHBondContact NH2-O 3.42Å; R181-C224 PolarHBondContact NH1-O 2.85Å; R181-C224 PolarHBondContact NH2-O 3.28Å; R181-R225 PolarHBondContact NH1-O 2.96Å
182	T	95.2	Very high	91	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.8	166.5	-57.7	0	0	0	0	108.6	L140 P143 R150 R151 L152 C208	L140-T182 PolarHBondContact O-OG1 3.46Å; P143-T182 HydrophobicContact CG-CG2 4.21Å; R150-T182 PolarHBondContact O-N 2.8Å; R151-T182 CarbonylContact C-O 3.45Å; R151-T182 VanDerWaalsContact CA-O 3.26Å; R151-T182 WeakPolarHBondContact CA-O 3.29Å; L152-T182 PolarHBondContact N-O 3.34Å; T182-C208 HydrophobicContact CG2-CB 3.81Å
183	M	95.1	Very high	90.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.2	-179.5	-173.8	-179.1	71.7	0	0	108.8	Q141 L152 C154 V169 C172 L173 A176 V204 L266	Q141-M183 VanDerWaalsContact NE2-N 3.19Å; Q141-M183 PolarHBondContact OE1-O 2.88Å; L152-M183 HydrophobicContact CD2-CG 4.14Å; L152-M183 CarbonylContact O-C 3.54Å; L152-M183 WeakPolarHBondContact O-CA 3.37Å; C154-M183 HydrophobicContact CB-CG 4.23Å; C154-M183 HydrophobicContact CB-SD 4.08Å; V169-M183 HydrophobicContact CG1-CE 3.81Å; C172-M183 HydrophobicContact CB-SD 3.49Å; C172-M183 WeakPolarHBondContact CB-SD 3.46Å; L173-M183 HydrophobicContact CB-CE 4.06Å; L173-M183 HydrophobicContact CB-SD 3.91Å; L173-M183 HydrophobicContact CD1-CB 4.45Å; L173-M183 HydrophobicContact CD1-CE 4.32Å; L173-M183 PolarHBondContact N-SD 3.31Å; A176-M183 HydrophobicContact CB-CB 3.94Å; M183-V204 HydrophobicContact CE-CB 4.43Å; M183-V204 HydrophobicContact CE-CG1 3.66Å; M183-V204 HydrophobicContact CE-CG2 4.01Å; M183-L266 HydrophobicContact CE-CD2 3.85Å
184	V	94.2	Very high	90.7	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.3	171.3	-178.9	0	0	0	0	107.4	R151 L152 I153 C154 R209	R151-V184 HydrophobicContact CB-CG2 4.47Å; R151-V184 HydrophobicContact CG-CG2 4.26Å; L152-V184 PolarHBondContact O-N 3.33Å; I153-V184 WeakPolarHBondContact CA-O 3.24Å; I153-V184 HydrophobicContact CD1-CB 3.76Å; I153-V184 HydrophobicContact CD1-CG1 4.31Å; I153-V184 HydrophobicContact CD1-CG2 4.2Å; C154-V184 PolarHBondContact N-O 3.25Å; V184-R209 VanDerWaalsContact CG1-O 3.3Å; V184-R209 WeakPolarHBondContact CG1-O 3.43Å
185	L	94.2	Very high	90.7	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126	178.4	-175.5	65.4	0	0	0	109.2	C154 L156 V169 D187 W197 V204	C154-L185 HydrophobicContact CB-CD1 4.43Å; C154-L185 WeakPolarHBondContact O-CA 3.43Å; L156-L185 HydrophobicContact CB-CD1 4.2Å; V169-L185 HydrophobicContact CG1-CD1 4.01Å; V169-L185 HydrophobicContact CG2-CD1 3.86Å; L185-D187 HydrophobicContact CG-CB 4.45Å; L185-W197 HydrophobicContact CD2-CB 3.76Å; L185-W197 HydrophobicContact CD2-CD2 3.66Å; L185-W197 HydrophobicContact CD2-CE3 3.93Å; L185-W197 HydrophobicContact CD2-CG 3.6Å; L185-V204 HydrophobicContact CB-CG2 4.2Å; L185-V204 HydrophobicContact CD2-CG2 4.09Å
186	N	91.8	Very high	90.9	Very high	61 Å²	61	38.7 Å²	38.7	33%	0.326	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106.2	170.6	177.9	11.1	0	0	0	109	C154 L156	C154-N186 PolarHBondContact O-N 3.46Å; L156-N186 PolarHBondContact N-O 3.25Å
187	D	91.8	Very high	91	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.15	22%	0.222	C	C	.	.			trans	-118	8.9	-174.2	59.2	-11.2	0	0	0	113.5	L156 L185 S189 W190 W197	L156-D187 HydrophobicContact CB-CB 4.33Å; L156-D187 HydrophobicContact CD2-CB 4.09Å; L185-D187 HydrophobicContact CG-CB 4.45Å; D187-S189 PolarHBondContact O-N 2.98Å; D187-W190 WeakPolarHBondContact O-CB 3.45Å; D187-W190 PolarHBondContact O-N 3.4Å; D187-W197 HydrophobicContact CB-CB 4.26Å; D187-W197 WeakPolarHBondContact OD2-CB 3.32Å; D187-W197 PolarHBondContact OD2-N 3.44Å
188	N	85.7	Confident	91.1	Very high	143 Å²	143	42.1 Å²	42.1	77%	0.765	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.1	-175.7	-68.3	-16.6	0	0	0	114.8
189	S	83.7	Confident	91.6	Very high	84 Å²	84	42.2 Å²	42.2	59%	0.587	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	24.4	-177.7	54.9	0	0	0	0	112.4	D187 S191	D187-S189 PolarHBondContact O-N 2.98Å; S189-S191 PolarHBondContact O-N 2.91Å
190	W	91.3	Very high	92	Very high	11 Å²	11	40.4 Å²	40.4	4%	0.042	24%	0.235	C	C	.	.			trans	-66.4	126.2	-175.1	-172.5	34.3	0	0	0	111.8	L156 F162 D187 Y192 S193 G196 L370	L156-W190 HydrophobicContact CD2-CB 4.24Å; L156-W190 HydrophobicContact CD2-CD2 3.66Å; L156-W190 HydrophobicContact CD2-CE3 4.31Å; L156-W190 HydrophobicContact CD2-CG 3.64Å; L156-W190 HydrophobicContact CD2-CZ2 4.31Å; L156-W190 HydrophobicContact CG-CB 4.48Å; L156-W190 HydrophobicContact CG-CD2 4.39Å; L156-W190 HydrophobicContact CG-CG 3.94Å; F162-W190 HydrophobicContact CD2-CH2 4.47Å; F162-W190 AromaticContact CD2-CZ2 3.88Å; F162-W190 HydrophobicContact CD2-CZ2 3.88Å; F162-W190 HydrophobicContact CE2-CH2 4.15Å; F162-W190 AromaticContact CE2-CZ2 3.91Å; F162-W190 HydrophobicContact CE2-CZ2 3.91Å; D187-W190 WeakPolarHBondContact O-CB 3.45Å; D187-W190 PolarHBondContact O-N 3.4Å; W190-Y192 VanDerWaalsContact C-N 3.26Å; W190-Y192 HydrophobicContact CZ2-CD2 4.34Å; W190-Y192 HydrophobicContact CZ2-CG 4.31Å; W190-Y192 AromaticContact NE1-CD2 3.7Å; W190-Y192 PolarHBondContact O-N 3.32Å; W190-S193 PolarHBondContact O-N 3.47Å; W190-G196 VanDerWaalsContact CE3-C 3.44Å; W190-G196 VanDerWaalsContact CZ3-O 3.26Å; W190-G196 WeakPolarHBondContact CZ3-O 3.34Å; W190-L370 HydrophobicContact CH2-CD1 3.58Å; W190-L370 HydrophobicContact CH2-CD2 3.47Å; W190-L370 VanDerWaalsContact CH2-CD2 3.47Å; W190-L370 HydrophobicContact CH2-CG 4.18Å; W190-L370 HydrophobicContact CZ2-CD1 3.97Å; W190-L370 HydrophobicContact CZ2-CD2 4.4Å; W190-L370 HydrophobicContact CZ3-CD1 4.49Å; W190-L370 HydrophobicContact CZ3-CD2 3.53Å
191	S	89.9	Confident	92.3	Very high	56 Å²	56	36.7 Å²	36.7	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.4	-174.6	59.2	0	0	0	0	114.6	Q165 S189 Y365	Q165-S191 PolarHBondContact NE2-OG 3.44Å; S189-S191 PolarHBondContact O-N 2.91Å; S191-Y365 WeakPolarHBondContact O-CB 3.25Å
192	Y	89.5	Confident	92.6	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-28.7	-176.6	-82.2	-89.8	0	0	0	113.6	G161 F162 Q165 W190 R364 Y365 S366 D367 L370	G161-Y192 WeakPolarHBondContact CA-OH 3.26Å; F162-Y192 HydrophobicContact CB-CE1 4.02Å; F162-Y192 HydrophobicContact CB-CE2 3.87Å; F162-Y192 PolarHBondContact N-OH 3.22Å; Q165-Y192 VanDerWaalsContact OE1-CD2 3.28Å; W190-Y192 VanDerWaalsContact C-N 3.26Å; W190-Y192 HydrophobicContact CZ2-CD2 4.34Å; W190-Y192 HydrophobicContact CZ2-CG 4.31Å; W190-Y192 AromaticContact NE1-CD2 3.7Å; W190-Y192 PolarHBondContact O-N 3.32Å; Y192-R364 WeakPolarHBondContact CD1-O 3.36Å; Y192-R364 WeakPolarHBondContact CE1-O 3.24Å; Y192-Y365 HydrophobicContact CD1-CD1 4.44Å; Y192-Y365 HydrophobicContact CD2-CD1 4.09Å; Y192-Y365 HydrophobicContact CD2-CE1 4.31Å; Y192-Y365 HydrophobicContact CE1-CD1 4.21Å; Y192-Y365 AromaticContact CE2-CD1 3.83Å; Y192-Y365 HydrophobicContact CE2-CD1 3.83Å; Y192-Y365 AromaticContact CE2-CE1 3.66Å; Y192-Y365 HydrophobicContact CE2-CE1 3.66Å; Y192-Y365 HydrophobicContact CG-CD1 4.38Å; Y192-Y365 AromaticContact CZ-CD1 3.88Å; Y192-Y365 AromaticContact CZ-CE1 3.78Å; Y192-S366 CarbonylContact O-C 3.57Å; Y192-D367 PolarHBondContact O-N 2.92Å; Y192-L370 HydrophobicContact CD1-CB 4.11Å; Y192-L370 HydrophobicContact CD1-CD1 4.31Å; Y192-L370 HydrophobicContact CG-CD1 4.4Å
193	S	91.7	Very high	92.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.021	24%	0.239	C	C	.	.			trans	-153.9	127.7	-177.1	-170.5	0	0	0	0	111.5	W190 H195 G196 S199 D367	W190-S193 PolarHBondContact O-N 3.47Å; S193-H195 PolarHBondContact O-N 2.99Å; S193-H195 PolarHBondContact OG-N 3.45Å; S193-G196 PolarHBondContact O-N 2.73Å; S193-G196 VanDerWaalsContact O-N 3.12Å; S193-S199 VanDerWaalsContact OG-CB 3.3Å; S193-S199 WeakPolarHBondContact OG-CB 3.48Å; S193-S199 PolarHBondContact OG-OG 2.99Å; S193-D367 VanDerWaalsContact CA-OD1 3.24Å; S193-D367 WeakPolarHBondContact CA-OD1 3.49Å; S193-D367 WeakPolarHBondContact CB-OD1 3.48Å; S193-D367 PolarHBondContact OG-OD1 2.86Å
194	S	89.7	Confident	92.6	Very high	108 Å²	108	41.8 Å²	41.8	76%	0.755	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-18	170.7	54.4	0	0	0	0	112.9	G196	S194-G196 PolarHBondContact O-N 3.13Å
195	H	91.1	Very high	92.7	Very high	126 Å²	126	41.6 Å²	41.6	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	7.2	175.3	-57.6	104.6	0	0	0	113	S193 T198 D367	S193-H195 PolarHBondContact O-N 2.99Å; S193-H195 PolarHBondContact OG-N 3.45Å; H195-T198 PolarHBondContact O-OG1 3.39Å; H195-D367 IonicContact ND1-OD2 3.22Å
196	G	93	Very high	92.6	Very high	4 Å²	4	45.1 Å²	45.1	4%	0.041	26%	0.259	C	S	.	.			trans	67.1	-163.3	177.9	0	0	0	0	0	113.5	W190 S193 S194 T198 S199	W190-G196 VanDerWaalsContact CE3-C 3.44Å; W190-G196 VanDerWaalsContact CZ3-O 3.26Å; W190-G196 WeakPolarHBondContact CZ3-O 3.34Å; S193-G196 PolarHBondContact O-N 2.73Å; S193-G196 VanDerWaalsContact O-N 3.12Å; S194-G196 PolarHBondContact O-N 3.13Å; G196-T198 PolarHBondContact O-N 3.02Å; G196-S199 VanDerWaalsContact O-CB 3.31Å; G196-S199 WeakPolarHBondContact O-CB 3.39Å; G196-S199 PolarHBondContact O-N 2.87Å; G196-S199 PolarHBondContact O-OG 3.37Å
197	W	94.7	Very high	92.5	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.011	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.2	-34.8	178.9	-175.7	-97.4	0	0	0	112.2	L156 V166 V169 L185 D187 S199 V200 F201 Q202 L266	L156-W197 HydrophobicContact CD2-CE3 3.83Å; L156-W197 HydrophobicContact CD2-CZ3 4.43Å; V166-W197 HydrophobicContact CG2-CH2 4.44Å; V166-W197 HydrophobicContact CG2-CZ3 4.46Å; V169-W197 HydrophobicContact CG2-CZ3 4.46Å; L185-W197 HydrophobicContact CD2-CB 3.76Å; L185-W197 HydrophobicContact CD2-CD2 3.66Å; L185-W197 HydrophobicContact CD2-CE3 3.93Å; L185-W197 HydrophobicContact CD2-CG 3.6Å; D187-W197 HydrophobicContact CB-CB 4.26Å; D187-W197 WeakPolarHBondContact OD2-CB 3.32Å; D187-W197 PolarHBondContact OD2-N 3.44Å; W197-S199 PolarHBondContact O-N 2.79Å; W197-V200 PolarHBondContact O-N 3.24Å; W197-F201 HydrophobicContact CD2-CB 4.4Å; W197-F201 AromaticContact CD2-CD2 3.75Å; W197-F201 HydrophobicContact CD2-CD2 3.75Å; W197-F201 AromaticContact CE2-CD2 3.43Å; W197-F201 VanDerWaalsContact CE2-CD2 3.43Å; W197-F201 AromaticContact CE2-CG 3.88Å; W197-F201 HydrophobicContact CE3-CD2 4.03Å; W197-F201 HydrophobicContact CG-CB 4.38Å; W197-F201 HydrophobicContact CG-CD2 4.39Å; W197-F201 AromaticContact CH2-CD2 3.77Å; W197-F201 HydrophobicContact CH2-CD2 3.77Å; W197-F201 AromaticContact CH2-CE2 3.91Å; W197-F201 HydrophobicContact CH2-CE2 3.91Å; W197-F201 HydrophobicContact CZ2-CB 4.25Å; W197-F201 AromaticContact CZ2-CD2 3.44Å; W197-F201 HydrophobicContact CZ2-CD2 3.44Å; W197-F201 VanDerWaalsContact CZ2-CD2 3.44Å; W197-F201 HydrophobicContact CZ2-CE2 4.03Å; W197-F201 AromaticContact CZ2-CG 3.96Å; W197-F201 HydrophobicContact CZ2-CG 3.96Å; W197-F201 HydrophobicContact CZ3-CD2 4.05Å; W197-F201 HydrophobicContact CZ3-CE2 4.17Å; W197-F201 VanDerWaalsContact NE1-CB 3.28Å; W197-F201 AromaticContact NE1-CD2 3.92Å; W197-F201 AromaticContact NE1-CG 3.94Å; W197-F201 PolarHBondContact O-N 3.16Å; W197-F201 VanDerWaalsContact O-N 3.12Å; W197-Q202 PolarHBondContact NE1-O 3.06Å; W197-L266 HydrophobicContact CH2-CB 4.41Å; W197-L266 HydrophobicContact CZ2-CB 3.98Å; W197-L266 WeakPolarHBondContact CZ2-O 3.49Å
198	T	95	Very high	92.5	Very high	69 Å²	69	43.6 Å²	43.6	42%	0.423	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-70.9	-8.2	-176.9	47.5	0	0	0	0	114.7	H195 G196 V200 F201 P203 N270	H195-T198 PolarHBondContact O-OG1 3.39Å; G196-T198 PolarHBondContact O-N 3.02Å; T198-V200 PolarHBondContact O-N 3.34Å; T198-F201 VanDerWaalsContact CA-O 3.29Å; T198-F201 WeakPolarHBondContact CA-O 3.26Å; T198-P203 HydrophobicContact CG2-CB 4.08Å; T198-N270 PolarHBondContact O-ND2 2.99Å
199	S	94.9	Very high	92.5	Very high	20 Å²	20	42.1 Å²	42.1	14%	0.14	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.7	-33.2	172.9	59.7	0	0	0	0	113.2	S193 G196 W197 N270	S193-S199 VanDerWaalsContact OG-CB 3.3Å; S193-S199 WeakPolarHBondContact OG-CB 3.48Å; S193-S199 PolarHBondContact OG-OG 2.99Å; G196-S199 VanDerWaalsContact O-CB 3.31Å; G196-S199 WeakPolarHBondContact O-CB 3.39Å; G196-S199 PolarHBondContact O-N 2.87Å; G196-S199 PolarHBondContact O-OG 3.37Å; W197-S199 PolarHBondContact O-N 2.79Å; S199-N270 PolarHBondContact O-ND2 2.93Å; S199-N270 VanDerWaalsContact O-ND2 3.08Å
200	V	96.5	Very high	92.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-21.3	-178.3	-66.6	0	0	0	0	113.8	W197 T198 N270 M273 L370 Q371 V374	W197-V200 PolarHBondContact O-N 3.24Å; T198-V200 PolarHBondContact O-N 3.34Å; V200-N270 PolarHBondContact O-N 3.39Å; V200-N270 VanDerWaalsContact O-N 3.13Å; V200-M273 HydrophobicContact CB-CG 4.41Å; V200-L370 HydrophobicContact CG1-CD2 3.96Å; V200-L370 HydrophobicContact CG1-CG 4.06Å; V200-L370 HydrophobicContact CG2-CD1 4.44Å; V200-L370 HydrophobicContact CG2-CD2 4Å; V200-L370 HydrophobicContact CG2-CG 4.25Å; V200-Q371 HydrophobicContact CG1-CG 3.94Å; V200-V374 HydrophobicContact CG2-CG2 4.5Å
201	F	97.8	Very high	91.1	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-116.9	161.1	-176.6	-59.8	-55.6	0	0	0	112.4	F162 W197 T198 M267 R268 Y269 V374	F162-F201 HydrophobicContact CE2-CE2 4.17Å; F162-F201 AromaticContact CZ-CE2 3.96Å; F162-F201 HydrophobicContact CZ-CE2 3.96Å; F162-F201 AromaticContact CZ-CZ 3.92Å; F162-F201 HydrophobicContact CZ-CZ 3.92Å; W197-F201 HydrophobicContact CD2-CB 4.4Å; W197-F201 AromaticContact CD2-CD2 3.75Å; W197-F201 HydrophobicContact CD2-CD2 3.75Å; W197-F201 AromaticContact CE2-CD2 3.43Å; W197-F201 VanDerWaalsContact CE2-CD2 3.43Å; W197-F201 AromaticContact CE2-CG 3.88Å; W197-F201 HydrophobicContact CE3-CD2 4.03Å; W197-F201 HydrophobicContact CG-CB 4.38Å; W197-F201 HydrophobicContact CG-CD2 4.39Å; W197-F201 AromaticContact CH2-CD2 3.77Å; W197-F201 HydrophobicContact CH2-CD2 3.77Å; W197-F201 AromaticContact CH2-CE2 3.91Å; W197-F201 HydrophobicContact CH2-CE2 3.91Å; W197-F201 HydrophobicContact CZ2-CB 4.25Å; W197-F201 AromaticContact CZ2-CD2 3.44Å; W197-F201 HydrophobicContact CZ2-CD2 3.44Å; W197-F201 VanDerWaalsContact CZ2-CD2 3.44Å; W197-F201 HydrophobicContact CZ2-CE2 4.03Å; W197-F201 AromaticContact CZ2-CG 3.96Å; W197-F201 HydrophobicContact CZ2-CG 3.96Å; W197-F201 HydrophobicContact CZ3-CD2 4.05Å; W197-F201 HydrophobicContact CZ3-CE2 4.17Å; W197-F201 VanDerWaalsContact NE1-CB 3.28Å; W197-F201 AromaticContact NE1-CD2 3.92Å; W197-F201 AromaticContact NE1-CG 3.94Å; W197-F201 PolarHBondContact O-N 3.16Å; W197-F201 VanDerWaalsContact O-N 3.12Å; T198-F201 VanDerWaalsContact CA-O 3.29Å; T198-F201 WeakPolarHBondContact CA-O 3.26Å; F201-M267 HydrophobicContact CD1-CB 4.14Å; F201-M267 HydrophobicContact CE1-CB 3.66Å; F201-M267 HydrophobicContact CE1-CE 4.01Å; F201-M267 HydrophobicContact CE1-CG 3.93Å; F201-M267 HydrophobicContact CE2-CG 4.5Å; F201-M267 HydrophobicContact CZ-CB 4.17Å; F201-M267 HydrophobicContact CZ-CE 3.69Å; F201-M267 HydrophobicContact CZ-CG 3.9Å; F201-R268 CarbonylContact C-O 3.58Å; F201-R268 VanDerWaalsContact CA-O 3.24Å; F201-R268 WeakPolarHBondContact CA-O 3.46Å; F201-Y269 AromaticContact CD1-CD1 3.88Å; F201-Y269 HydrophobicContact CD1-CD1 3.88Å; F201-Y269 HydrophobicContact CD1-CE1 4.33Å; F201-Y269 AromaticContact CE1-CD1 3.67Å; F201-Y269 HydrophobicContact CE1-CD1 3.67Å; F201-Y269 AromaticContact CE1-CE1 3.69Å; F201-Y269 HydrophobicContact CE1-CE1 3.69Å; F201-V374 HydrophobicContact CE1-CG1 4.29Å; F201-V374 HydrophobicContact CZ-CG1 4.31Å; F201-V374 HydrophobicContact CZ-CG2 3.95Å
202	Q	97.3	Very high	89.6	Confident	83 Å²	83	52.3 Å²	52.3	39%	0.388	26%	0.263	S	S	.	.			trans	-67.3	148.8	163.5	-65.3	179.8	17.7	0	0	109.2	W197 R268 Y269	W197-Q202 PolarHBondContact NE1-O 3.06Å; Q202-R268 HydrophobicContact CB-CB 4.14Å; Q202-R268 HydrophobicContact CG-CB 4.21Å; Q202-R268 PolarHBondContact N-O 3.04Å; Q202-Y269 WeakPolarHBondContact CG-O 3.24Å; Q202-Y269 PolarHBondContact NE2-O 3.25Å
203	P	95.8	Very high	88.1	Confident	27 Å²	27	53.2 Å²	53.2	18%	0.175	27%	0.269	C	S	.	.			trans	-59.2	146.6	172.8	27	-34.9	0	0	0	110.1	T198 S205 N206 R209	T198-P203 HydrophobicContact CG2-CB 4.08Å; P203-S205 PolarHBondContact O-N 3.09Å; P203-N206 WeakPolarHBondContact CG-OD1 3.33Å; P203-R209 VanDerWaalsContact CG-NH2 3.28Å
204	V	95.7	Very high	86.1	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.048	31%	0.312	C	S	.	.	S	Bend	trans	-57.8	-37.3	178.5	178.3	0	0	0	0	111	Q141 M183 L185 Y265 L266	Q141-V204 HydrophobicContact CG-CG1 4.12Å; M183-V204 HydrophobicContact CE-CB 4.43Å; M183-V204 HydrophobicContact CE-CG1 3.66Å; M183-V204 HydrophobicContact CE-CG2 4.01Å; L185-V204 HydrophobicContact CB-CG2 4.2Å; L185-V204 HydrophobicContact CD2-CG2 4.09Å; V204-Y265 HydrophobicContact CG1-CE1 4.41Å; V204-Y265 PolarHBondContact O-OH 3.34Å; V204-L266 HydrophobicContact CG1-CD2 4.44Å; V204-L266 HydrophobicContact CG2-CD2 3.95Å
205	S	96	Very high	84.4	Confident	3 Å²	3	63 Å²	63	2%	0.021	30%	0.303	C	S	.	.			trans	-137.1	140.2	175.7	177.5	0	0	0	0	111.2	Q141 P203 S207 C208 R209	Q141-S205 WeakPolarHBondContact O-CB 3.47Å; Q141-S205 PolarHBondContact O-OG 3.24Å; P203-S205 PolarHBondContact O-N 3.09Å; S205-S207 PolarHBondContact OG-N 3.05Å; S205-C208 WeakPolarHBondContact CB-O 3.38Å; S205-C208 PolarHBondContact OG-N 3.3Å; S205-R209 WeakPolarHBondContact O-CG 3.18Å; S205-R209 PolarHBondContact O-NE 3.21Å
206	N	91	Very high	82.4	Confident	97 Å²	97	62.4 Å²	62.4	52%	0.519	31%	0.308	S	S	.	.	S	Bend	trans	-86.6	-26.6	169	-71.1	-34.9	0	0	0	113.3	H142 P203 R209	H142-N206 PolarHBondContact NE2-N 3.05Å; P203-N206 WeakPolarHBondContact CG-OD1 3.33Å; N206-R209 PolarHBondContact OD1-NH2 3.34Å
207	S	91.5	Very high	80.4	Confident	54 Å²	54	65 Å²	65	38%	0.378	32%	0.324	S	S	.	.	S	Bend	trans	-101	-11.7	-176.1	68.9	0	0	0	0	114.3	H142 P143 C146 S205	H142-S207 VanDerWaalsContact CA-OG 3.29Å; H142-S207 WeakPolarHBondContact CA-OG 3.1Å; P143-S207 PolarHBondContact O-OG 3.43Å; C146-S207 WeakPolarHBondContact CB-O 3.06Å; S205-S207 PolarHBondContact OG-N 3.05Å
208	C	91.4	Very high	78.2	Confident	2 Å²	2	72.6 Å²	72.6	1%	0.014	35%	0.353	C	S	.	.			trans	-144.2	84.2	-175.6	-162.5	0	0	0	0	112.4	P143 C146 T182 S205	P143-C208 HydrophobicContact CG-CB 4.01Å; C146-C208 VanDerWaalsContact CA-SG 3.58Å; C146-C208 HydrophobicContact CB-CB 3.48Å; C146-C208 VanDerWaalsContact CB-CB 3.48Å; C146-C208 WeakPolarHBondContact CB-SG 3.39Å; C146-C208 WeakPolarHBondContact SG-CA 3.3Å; C146-C208 WeakPolarHBondContact SG-CB 3.35Å; C146-C208 CovalentContact SG-SG 2.04Å; C146-C208 PolarHBondContact SG-SG 3.14Å; T182-C208 HydrophobicContact CG2-CB 3.81Å; S205-C208 WeakPolarHBondContact CB-O 3.38Å; S205-C208 PolarHBondContact OG-N 3.3Å
209	R	86.1	Confident	76.1	Confident	112 Å²	112	73 Å²	73	42%	0.423	36%	0.355	S	S	.	.			trans	-108.5	-22	-175.1	-64.6	-173.1	-175.1	169.7	10.2	115.1	V184 P203 S205 N206	V184-R209 VanDerWaalsContact CG1-O 3.3Å; V184-R209 WeakPolarHBondContact CG1-O 3.43Å; P203-R209 VanDerWaalsContact CG-NH2 3.28Å; S205-R209 WeakPolarHBondContact O-CG 3.18Å; S205-R209 PolarHBondContact O-NE 3.21Å; N206-R209 PolarHBondContact OD1-NH2 3.34Å
210	Y	75	Confident	74	Confident	155 Å²	155	74.4 Å²	74.4	61%	0.608	37%	0.372	S	S	*	.	S	Bend	trans	-114.4	147.1	-172.4	-57.9	-74.7	0	0	0	111.4	R151 Y212	R151-Y210 PolarHBondContact NH1-O 3.35Å; Y210-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y210-Y212 PolarHBondContact O-N 3.18Å
211	N	68.8	Low	71.7	Confident	71 Å²	71	81.2 Å²	81.2	38%	0.38	40%	0.402	S	S	.	.			trans	-79.4	108.7	162.6	-172.3	29.1	0	0	0	108	I153 D213 I226	I153-N211 HydrophobicContact CD1-CB 4.24Å; N211-D213 PolarHBondContact ND2-O 3.48Å; N211-D213 PolarHBondContact OD1-N 3.47Å; N211-D213 PolarHBondContact OD1-O 2.55Å; N211-I226 WeakPolarHBondContact OD1-CD1 3.31Å
212	Y	59.2	Low	69.5	Low	139 Å²	139	86.9 Å²	86.9	55%	0.545	44%	0.44	S	S	.	.			trans	-84.6	-15.4	179.6	-67.6	-79.5	0	0	0	112.7	C146 R151 Y210	C146-Y212 HydrophobicContact CB-CE2 4.21Å; R151-Y212 VanDerWaalsContact NH1-N 3.13Å; Y210-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y210-Y212 PolarHBondContact O-N 3.18Å
213	D	58.6	Low	67.7	Low	30 Å²	30	90 Å²	90	16%	0.16	46%	0.46	C	S	.	.			trans	-108.3	128.2	-174.5	-45.4	-8.1	0	0	0	109.6	R151 N211 E215 I226	R151-D213 IonicContact CZ-OD1 3.08Å; R151-D213 IonicContact CZ-OD2 2.69Å; R151-D213 IonicContact NH2-OD1 3.76Å; R151-D213 PolarHBondContact NH2-OD1 3.04Å; R151-D213 IonicContact NH2-OD2 3.39Å; R151-D213 PolarHBondContact NH2-OD2 2.88Å; N211-D213 PolarHBondContact ND2-O 3.48Å; N211-D213 PolarHBondContact OD1-N 3.47Å; N211-D213 PolarHBondContact OD1-O 2.55Å; D213-E215 HydrophobicContact CB-CB 4.35Å; D213-E215 PolarHBondContact O-N 3.26Å; D213-I226 HydrophobicContact CB-CD1 3.66Å
214	E	49.6	Very low	66	Low	199 Å²	199	90.2 Å²	90.2	93%	0.93	46%	0.461	S	S	*	.			trans	-70.1	1.5	168.4	-70.7	-172.7	164.5	0	0	113	T216	E214-T216 PolarHBondContact O-N 3.35Å
215	E	53.5	Low	64.5	Low	119 Å²	119	94.3 Å²	94.3	56%	0.556	48%	0.476	S	S	*	.			trans	-54.2	113.6	178.2	-80.9	-166	170.5	0	0	109.9	D213 P217	D213-E215 HydrophobicContact CB-CB 4.35Å; D213-E215 PolarHBondContact O-N 3.26Å; E215-P217 VanDerWaalsContact O-CD 3.29Å; E215-P217 WeakPolarHBondContact O-CD 3.32Å; E215-P217 VanDerWaalsContact O-N 3.13Å
216	T	49.1	Very low	63.1	Low	112 Å²	112	94.4 Å²	94.4	69%	0.687	48%	0.476	S	S	*	.			trans	-52.2	121.4	178.9	30.1	0	0	0	0	109.4	E214 R218	E214-T216 PolarHBondContact O-N 3.35Å; T216-R218 PolarHBondContact O-N 3.28Å
217	P	51.1	Low	62.1	Low	58 Å²	58	91 Å²	91	38%	0.377	46%	0.458	S	S	.	.			trans	-46.5	100.5	174.6	-38.9	42.5	0	0	0	114.4	E215 V219 T228	E215-P217 VanDerWaalsContact O-CD 3.29Å; E215-P217 WeakPolarHBondContact O-CD 3.32Å; E215-P217 VanDerWaalsContact O-N 3.13Å; P217-V219 PolarHBondContact O-N 3.12Å; P217-T228 HydrophobicContact CB-CG2 4.26Å; P217-T228 WeakPolarHBondContact CB-OG1 3.33Å; P217-T228 WeakPolarHBondContact CG-OG1 3.41Å
218	R	48.8	Very low	60.6	Low	164 Å²	164	88.9 Å²	88.9	62%	0.619	44%	0.442	S	S	*	.			trans	-81.2	103.9	173.6	-68.3	-171.5	-175.2	178.8	0.8	109.4	T216 G220	T216-R218 PolarHBondContact O-N 3.28Å; R218-G220 PolarHBondContact O-N 3.46Å
219	V	50.8	Low	59.4	Low	78 Å²	78	89.9 Å²	89.9	47%	0.473	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	122	170.1	-177.3	0	0	0	0	108.4	P217 L233	P217-V219 PolarHBondContact O-N 3.12Å; V219-L233 HydrophobicContact CG1-CD1 3.5Å
220	G	50.7	Low	57.9	Low	49 Å²	49	93.1 Å²	93.1	51%	0.505	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	8	160.8	0	0	0	0	0	119.2	R218	R218-G220 PolarHBondContact O-N 3.46Å
221	K	47.9	Very low	56.7	Low	144 Å²	144	89.2 Å²	89.2	63%	0.626	47%	0.466	S	S	*	.			trans	-107.8	117.7	166.4	-81.3	-174	178	-178.9	0	111.5	N223 C224	K221-N223 PolarHBondContact O-N 3.2Å; K221-C224 PolarHBondContact O-N 3.05Å
222	C	51.7	Low	55.5	Low	121 Å²	121	95.9 Å²	95.9	82%	0.818	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17	-173	-68.1	0	0	0	0	115.6	R150 R181	R150-C222 PolarHBondContact NH2-O 2.81Å; R181-C222 PolarHBondContact NH2-O 3.42Å
223	N	59.2	Low	54.9	Low	149 Å²	149	92.9 Å²	92.9	80%	0.797	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	5.6	-172.1	-128.5	13.2	0	0	0	115.7	K221	K221-N223 PolarHBondContact O-N 3.2Å
224	C	59.9	Low	54.3	Low	30 Å²	30	95.4 Å²	95.4	20%	0.203	50%	0.501	C	S	.	.			trans	-67.8	149.2	179.4	-64	0	0	0	0	112.1	R181 K221 I226	R181-C224 PolarHBondContact NH1-O 2.85Å; R181-C224 PolarHBondContact NH2-O 3.28Å; K221-C224 PolarHBondContact O-N 3.05Å; C224-I226 VanDerWaalsContact C-N 3.32Å; C224-I226 VanDerWaalsContact CB-O 3.22Å; C224-I226 WeakPolarHBondContact CB-O 3.32Å
225	R	65.8	Low	54.3	Low	94 Å²	94	88 Å²	88	36%	0.355	47%	0.471	S	S	.	.	S	Bend	trans	-66.5	-37.8	173.5	-169.8	-177.5	-173.5	169.6	-0.3	111.1	E147 K148 R150 R151 R181	E147-R225 PolarHBondContact O-NE 3.39Å; E147-R225 VanDerWaalsContact O-NE 3.16Å; E147-R225 PolarHBondContact O-NH2 3.06Å; K148-R225 VanDerWaalsContact CA-NH2 3.32Å; R150-R225 CarbonylContact C-O 3.56Å; R150-R225 WeakPolarHBondContact CA-O 3.34Å; R151-R225 PolarHBondContact N-O 3.34Å; R181-R225 PolarHBondContact NH1-O 2.96Å
226	I	65.5	Low	54.2	Low	5 Å²	5	84.1 Å²	84.1	3%	0.026	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	175	-60.2	176	0	0	0	109.6	R151 I153 N211 D213 C224	R151-I226 WeakPolarHBondContact O-CA 3.22Å; I153-I226 HydrophobicContact CD1-CG2 4.35Å; I153-I226 HydrophobicContact CG1-CG2 3.76Å; N211-I226 WeakPolarHBondContact OD1-CD1 3.31Å; D213-I226 HydrophobicContact CB-CD1 3.66Å; C224-I226 VanDerWaalsContact C-N 3.32Å; C224-I226 VanDerWaalsContact CB-O 3.22Å; C224-I226 WeakPolarHBondContact CB-O 3.32Å
227	L	70.3	Confident	54.2	Low	27 Å²	27	78.9 Å²	78.9	14%	0.141	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130	170.5	178.9	67.4	0	0	0	108.6	R151 L152 I153 L229	R151-L227 PolarHBondContact O-N 2.91Å; L152-L227 CarbonylContact C-O 3.48Å; L152-L227 VanDerWaalsContact CA-O 3.22Å; L152-L227 WeakPolarHBondContact CA-O 3.43Å; L152-L227 HydrophobicContact CD1-CD2 4.11Å; I153-L227 PolarHBondContact N-O 2.9Å; L227-L229 HydrophobicContact CD2-CD2 4.47Å
228	T	60.7	Low	54.4	Low	8 Å²	8	77.2 Å²	77.2	5%	0.049	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.4	172.6	-56.8	0	0	0	0	109.2	I153 P217 R230	I153-T228 HydrophobicContact CB-CG2 4.38Å; P217-T228 HydrophobicContact CB-CG2 4.26Å; P217-T228 WeakPolarHBondContact CB-OG1 3.33Å; P217-T228 WeakPolarHBondContact CG-OG1 3.41Å; T228-R230 HydrophobicContact CG2-CG 4.23Å; T228-R230 PolarHBondContact O-N 2.97Å
229	L	64.6	Low	54.5	Low	24 Å²	24	70.4 Å²	70.4	13%	0.126	38%	0.384	C	S	.	.			trans	-89	95.1	175.4	-68.7	179.3	0	0	0	109.2	L152 I153 Y171 C172 V175 L227	L152-L229 HydrophobicContact CD1-CD1 3.86Å; L152-L229 HydrophobicContact CD1-CG 4.13Å; L152-L229 HydrophobicContact CD2-CD1 3.99Å; L152-L229 HydrophobicContact CD2-CG 4.28Å; L152-L229 HydrophobicContact CG-CD1 4.36Å; L152-L229 HydrophobicContact CG-CG 4.38Å; I153-L229 PolarHBondContact O-N 3.33Å; Y171-L229 HydrophobicContact CD1-CD1 4.4Å; Y171-L229 HydrophobicContact CE1-CD1 4.04Å; C172-L229 HydrophobicContact CB-CD1 4.42Å; V175-L229 HydrophobicContact CB-CD1 3.89Å; V175-L229 HydrophobicContact CG1-CD1 4.05Å; V175-L229 HydrophobicContact CG1-CD2 4.4Å; V175-L229 HydrophobicContact CG2-CD1 3.97Å; L227-L229 HydrophobicContact CD2-CD2 4.47Å
230	R	55.3	Low	54.8	Low	180 Å²	180	66.9 Å²	66.9	68%	0.679	36%	0.363	S	S	*	.			trans	-102.5	113.6	162.1	-72.9	-176.6	174.9	171.7	-1.4	108.1	T228	T228-R230 HydrophobicContact CG2-CG 4.23Å; T228-R230 PolarHBondContact O-N 2.97Å
231	G	50	Low	54.9	Low	72 Å²	72	64.7 Å²	64.7	74%	0.742	34%	0.339	S	S	*	.	S	Bend	trans	39.2	110.9	163.8	0	0	0	0	0	118.7
232	K	44	Very low	54.8	Low	212 Å²	212	60.3 Å²	60.3	92%	0.922	33%	0.327	S	S	*	.			trans	66.6	71.8	171.3	-65.5	-178	175.1	177.2	0	116
233	L	46.2	Very low	54.7	Low	76 Å²	76	58.6 Å²	58.6	40%	0.398	31%	0.306	S	S	.	.			trans	-143.6	113	161.8	-100.1	135.4	0	0	0	112.5	Y171 V219	Y171-L233 PolarHBondContact OH-O 3.42Å; V219-L233 HydrophobicContact CG1-CD1 3.5Å
234	V	46.8	Very low	54.4	Low	82 Å²	82	61.1 Å²	61.1	50%	0.497	30%	0.304	S	S	.	.			trans	65	98.8	168.2	-163.5	0	0	0	0	117	Y171 F236	Y171-V234 PolarHBondContact OH-O 2.59Å; V234-F236 HydrophobicContact CB-CD2 4.34Å; V234-F236 HydrophobicContact CB-CE2 3.99Å; V234-F236 HydrophobicContact CG1-CD2 4.03Å; V234-F236 HydrophobicContact CG1-CE2 3.57Å; V234-F236 HydrophobicContact CG1-CZ 4.2Å; V234-F236 VanDerWaalsContact O-CD2 3.24Å; V234-F236 WeakPolarHBondContact O-CD2 3.34Å; V234-F236 PolarHBondContact O-N 2.93Å
235	C	47.7	Very low	54.1	Low	45 Å²	45	65.8 Å²	65.8	30%	0.304	32%	0.321	S	S	.	.			trans	-61	95.6	175	-57.6	0	0	0	0	112.4	S237 G424 R426	C235-S237 VanDerWaalsContact C-N 3.34Å; C235-G424 PolarHBondContact SG-O 3.27Å; C235-R426 HydrophobicContact CB-CG 3.39Å
236	F	52.8	Low	54.1	Low	36 Å²	36	66.4 Å²	66.4	16%	0.158	32%	0.324	C	S	.	.			trans	-85.5	-6.7	163.7	-76.1	-90.9	0	0	0	113.4	Q174 V175 Y178 V234 L238 L239	Q174-F236 HydrophobicContact CG-CB 4.13Å; Q174-F236 PolarHBondContact NE2-O 3.12Å; V175-F236 HydrophobicContact CG2-CD2 3.93Å; Y178-F236 HydrophobicContact CD1-CD1 4.34Å; Y178-F236 HydrophobicContact CD1-CE1 4.24Å; Y178-F236 AromaticContact CD2-CD1 3.51Å; Y178-F236 HydrophobicContact CD2-CD1 3.51Å; Y178-F236 HydrophobicContact CD2-CE1 4.09Å; Y178-F236 HydrophobicContact CD2-CG 4.24Å; Y178-F236 HydrophobicContact CE2-CD1 4.17Å; Y178-F236 AromaticContact CG-CD1 3.62Å; Y178-F236 HydrophobicContact CG-CD1 3.62Å; Y178-F236 AromaticContact CG-CE1 3.7Å; Y178-F236 HydrophobicContact CG-CE1 3.7Å; V234-F236 HydrophobicContact CB-CD2 4.34Å; V234-F236 HydrophobicContact CB-CE2 3.99Å; V234-F236 HydrophobicContact CG1-CD2 4.03Å; V234-F236 HydrophobicContact CG1-CE2 3.57Å; V234-F236 HydrophobicContact CG1-CZ 4.2Å; V234-F236 VanDerWaalsContact O-CD2 3.24Å; V234-F236 WeakPolarHBondContact O-CD2 3.34Å; V234-F236 PolarHBondContact O-N 2.93Å; F236-L238 PolarHBondContact O-N 3.42Å; F236-L239 HydrophobicContact CB-CD1 4.19Å; F236-L239 HydrophobicContact CD1-CB 4.5Å; F236-L239 HydrophobicContact CD1-CD1 3.51Å; F236-L239 HydrophobicContact CE1-CD1 4.07Å; F236-L239 HydrophobicContact CG-CD1 4.03Å; F236-L239 WeakPolarHBondContact O-CB 3.39Å; F236-L239 PolarHBondContact O-N 3.34Å
237	S	49.2	Very low	54.5	Low	3 Å²	3	66.8 Å²	66.8	2%	0.021	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-21.6	-162.3	67.4	0	0	0	0	119.6	C235 Q425 R426	C235-S237 VanDerWaalsContact C-N 3.34Å; S237-Q425 VanDerWaalsContact CB-CA 3.49Å; S237-Q425 WeakPolarHBondContact OG-CA 3.43Å; S237-Q425 WeakPolarHBondContact OG-CB 3.29Å; S237-R426 PolarHBondContact OG-N 3.33Å
238	L	54.2	Low	54.6	Low	23 Å²	23	68.6 Å²	68.6	12%	0.12	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.3	22.9	178.7	-63.2	167.6	0	0	0	111.5	F236 L240 P255 Y420 Q425	F236-L238 PolarHBondContact O-N 3.42Å; L238-L240 PolarHBondContact O-N 2.97Å; L238-P255 HydrophobicContact CB-CB 4.15Å; L238-P255 HydrophobicContact CB-CG 4.44Å; L238-P255 HydrophobicContact CD2-CB 3.22Å; L238-P255 HydrophobicContact CD2-CG 4.04Å; L238-P255 HydrophobicContact CG-CB 4.24Å; L238-Y420 HydrophobicContact CD2-CE1 4.41Å; L238-Q425 HydrophobicContact CD1-CB 4.25Å
239	L	52	Low	55.3	Low	21 Å²	21	77.7 Å²	77.7	11%	0.11	37%	0.368	C	S	.	.			trans	-79.5	113.8	-178.6	-67.9	173.6	0	0	0	108.8	Y178 F236 R486 A488	Y178-L239 PolarHBondContact OH-O 3.26Å; F236-L239 HydrophobicContact CB-CD1 4.19Å; F236-L239 HydrophobicContact CD1-CB 4.5Å; F236-L239 HydrophobicContact CD1-CD1 3.51Å; F236-L239 HydrophobicContact CE1-CD1 4.07Å; F236-L239 HydrophobicContact CG-CD1 4.03Å; F236-L239 WeakPolarHBondContact O-CB 3.39Å; F236-L239 PolarHBondContact O-N 3.34Å; L239-R486 HydrophobicContact CD2-CB 4.03Å; L239-A488 HydrophobicContact CB-CB 3.48Å; L239-A488 VanDerWaalsContact CB-CB 3.48Å; L239-A488 HydrophobicContact CD1-CB 3.66Å; L239-A488 HydrophobicContact CD2-CB 4.06Å; L239-A488 HydrophobicContact CG-CB 3.89Å
240	L	56.2	Low	56	Low	4 Å²	4	77.4 Å²	77.4	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.4	168.6	-65.9	161.9	0	0	0	108.8	L238 S242 L247 P254 W258 W485 R486 F487 A488	L238-L240 PolarHBondContact O-N 2.97Å; L240-S242 PolarHBondContact O-N 3.22Å; L240-L247 HydrophobicContact CD2-CD2 3.65Å; L240-P254 HydrophobicContact CD1-CB 3.69Å; L240-P254 HydrophobicContact CD2-CB 3.62Å; L240-P254 HydrophobicContact CG-CB 4.3Å; L240-W258 HydrophobicContact CD2-CB 4.29Å; L240-W485 HydrophobicContact CD1-CB 4.06Å; L240-R486 PolarHBondContact N-O 2.96Å; L240-F487 HydrophobicContact CB-CD1 3.34Å; L240-F487 HydrophobicContact CB-CE1 3.51Å; L240-F487 HydrophobicContact CB-CG 4.26Å; L240-F487 HydrophobicContact CD1-CD1 4.16Å; L240-F487 HydrophobicContact CD1-CE1 3.53Å; L240-F487 HydrophobicContact CD1-CZ 3.87Å; L240-F487 HydrophobicContact CG-CD1 4.39Å; L240-F487 HydrophobicContact CG-CE1 4.17Å; L240-F487 CarbonylContact O-C 3.53Å; L240-F487 WeakPolarHBondContact O-CA 3.4Å; L240-F487 WeakPolarHBondContact O-CB 3.29Å; L240-A488 PolarHBondContact O-N 3.45Å
241	S	52.6	Low	57.5	Low	2 Å²	2	69 Å²	69	1%	0.014	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	135.5	170.6	165.5	0	0	0	0	111.4	Y178 K243 A488 T490	Y178-S241 PolarHBondContact OH-N 2.95Å; S241-K243 PolarHBondContact O-N 2.82Å; S241-A488 CarbonylContact C-O 3.49Å; S241-A488 WeakPolarHBondContact CA-O 3.36Å; S241-T490 WeakPolarHBondContact OG-CG2 3.35Å
242	S	46	Very low	59.2	Low	52 Å²	52	66.7 Å²	66.7	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-66.1	10.1	-172.4	66	0	0	0	0	116.1	L240 R244 A488	L240-S242 PolarHBondContact O-N 3.22Å; S242-R244 VanDerWaalsContact C-N 3.34Å; S242-R244 PolarHBondContact O-N 3.02Å; S242-A488 WeakPolarHBondContact CB-O 3.33Å; S242-A488 PolarHBondContact N-O 3.49Å
243	K	50.4	Low	61.3	Low	86 Å²	86	57.4 Å²	57.4	37%	0.374	27%	0.267	S	S	.	.			trans	-84.8	84.6	172.3	-67	-164	-179.8	-177.1	0	110.5	S241 S493 L495	S241-K243 PolarHBondContact O-N 2.82Å; K243-S493 PolarHBondContact NZ-OG 3.33Å; K243-S493 VanDerWaalsContact NZ-OG 3.16Å; K243-L495 VanDerWaalsContact NZ-CD1 3.28Å
244	R	53.2	Low	63.2	Low	201 Å²	201	53.9 Å²	53.9	76%	0.758	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-25.6	135.8	169.9	-85.1	173.4	161.9	155.9	-5.8	115.7	S242 R246	S242-R244 VanDerWaalsContact C-N 3.34Å; S242-R244 PolarHBondContact O-N 3.02Å; R244-R246 PolarHBondContact O-N 3.11Å
245	F	53.7	Low	65.2	Low	129 Å²	129	50 Å²	50	57%	0.566	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	-22.6	165.4	-61.2	-72.5	0	0	0	120.6	R249	F245-R249 WeakPolarHBondContact O-CD 3.48Å; F245-R249 WeakPolarHBondContact O-CG 3.22Å; F245-R249 PolarHBondContact O-N 2.69Å
246	R	64.9	Low	67.3	Low	107 Å²	107	47.9 Å²	47.9	40%	0.404	21%	0.211	S	C	.	.	S	Bend	trans	-79.4	-50.8	-169.2	-63	-170.6	-172	-155.4	5.5	114.3	R244 L248 R249 L250 T498	R244-R246 PolarHBondContact O-N 3.11Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.79Å; R246-R249 WeakPolarHBondContact O-CB 3.44Å; R246-R249 PolarHBondContact O-N 3.06Å; R246-L250 WeakPolarHBondContact O-CG 3.4Å; R246-L250 PolarHBondContact O-N 2.98Å; R246-T498 VanDerWaalsContact NH1-CG2 3.31Å
247	L	74.1	Confident	69.2	Low	12 Å²	12	46.3 Å²	46.3	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-36.2	177.8	-178.3	57.8	0	0	0	111.9	L126 L129 L240 R249 L250 H251 P254 W257	L126-L247 HydrophobicContact CD2-CD1 3.88Å; L129-L247 HydrophobicContact CD2-CD1 4.04Å; L240-L247 HydrophobicContact CD2-CD2 3.65Å; L247-R249 PolarHBondContact O-N 2.8Å; L247-R249 VanDerWaalsContact O-N 3.14Å; L247-L250 PolarHBondContact O-N 3.39Å; L247-H251 HydrophobicContact CD1-CB 3.79Å; L247-H251 PolarHBondContact O-N 2.84Å; L247-P254 HydrophobicContact CD2-CB 3.88Å; L247-P254 HydrophobicContact CG-CB 3.87Å; L247-P254 HydrophobicContact CG-CG 4.32Å; L247-W257 HydrophobicContact CD1-CD2 3.91Å; L247-W257 HydrophobicContact CD1-CE3 3.81Å; L247-W257 HydrophobicContact CD1-CG 4.34Å; L247-W257 HydrophobicContact CD1-CZ3 4.29Å; L247-W257 HydrophobicContact CD2-CD2 4.36Å; L247-W257 HydrophobicContact CD2-CE3 3.49Å; L247-W257 VanDerWaalsContact CD2-CE3 3.49Å; L247-W257 HydrophobicContact CD2-CZ3 3.86Å; L247-W257 HydrophobicContact CG-CE3 4.32Å
248	L	72.9	Confident	71.2	Confident	66 Å²	66	46.2 Å²	46.2	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-59.1	-22.5	172.6	-72.3	173.2	0	0	0	114.2	R246 P254 W485 F487	R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.79Å; L248-P254 HydrophobicContact CD2-CG 3.85Å; L248-W485 HydrophobicContact CD2-CG 3.94Å; L248-F487 HydrophobicContact CD1-CE2 4.47Å; L248-F487 HydrophobicContact CD1-CZ 3.74Å; L248-F487 HydrophobicContact CG-CZ 4.16Å
249	R	74.7	Confident	73	Confident	198 Å²	198	45.1 Å²	45.1	75%	0.747	20%	0.198	S	C	*	.	H	α-helix	trans	-91.8	-14.4	176.2	-73	172.4	-177.8	-166.2	1.1	113	F245 R246 L247	F245-R249 WeakPolarHBondContact O-CD 3.48Å; F245-R249 WeakPolarHBondContact O-CG 3.22Å; F245-R249 PolarHBondContact O-N 2.69Å; R246-R249 WeakPolarHBondContact O-CB 3.44Å; R246-R249 PolarHBondContact O-N 3.06Å; L247-R249 PolarHBondContact O-N 2.8Å; L247-R249 VanDerWaalsContact O-N 3.14Å
250	L	79.3	Confident	75.1	Confident	18 Å²	18	44.1 Å²	44.1	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-107.7	-34.3	-171.5	-67.6	177.3	0	0	0	112.4	S122 K125 L126 R246 L247	S122-L250 PolarHBondContact OG-O 3.36Å; S122-L250 VanDerWaalsContact OG-O 3.12Å; K125-L250 HydrophobicContact CB-CD1 3.99Å; K125-L250 HydrophobicContact CB-CD2 3.76Å; K125-L250 HydrophobicContact CD-CD2 3.97Å; L126-L250 WeakPolarHBondContact CD1-O 3.24Å; L126-L250 HydrophobicContact CD2-CB 3.53Å; L126-L250 HydrophobicContact CD2-CD1 4.29Å; L126-L250 HydrophobicContact CG-CB 3.85Å; R246-L250 WeakPolarHBondContact O-CG 3.4Å; R246-L250 PolarHBondContact O-N 2.98Å; L247-L250 PolarHBondContact O-N 3.39Å
251	H	86.4	Confident	76.9	Confident	4 Å²	4	44 Å²	44	2%	0.019	19%	0.191	C	C	.	.			trans	-126.8	134.5	-175.2	-160	-80.6	0	0	0	111.1	L126 L247 Y253 W257 Q403 G407 D408	L126-H251 HydrophobicContact CD2-CB 4.13Å; L247-H251 HydrophobicContact CD1-CB 3.79Å; L247-H251 PolarHBondContact O-N 2.84Å; H251-Y253 PolarHBondContact CE1-O 2.8Å; H251-Y253 VanDerWaalsContact ND1-C 3.26Å; H251-Y253 PolarHBondContact ND1-N 3.07Å; H251-Y253 PolarHBondContact ND1-O 3.2Å; H251-Y253 VanDerWaalsContact ND1-O 3.13Å; H251-W257 AromaticContact CD2-CD1 3.48Å; H251-W257 VanDerWaalsContact CD2-CD1 3.48Å; H251-W257 AromaticContact CD2-CG 3.82Å; H251-W257 AromaticContact NE2-CD1 3.84Å; H251-Q403 PolarHBondContact CE1-OE1 3.5Å; H251-Q403 PolarHBondContact NE2-OE1 2.86Å; H251-Q403 VanDerWaalsContact NE2-OE1 3.09Å; H251-G407 PolarHBondContact CD2-O 3.23Å; H251-G407 VanDerWaalsContact CD2-O 3.28Å; H251-G407 PolarHBondContact NE2-O 3.03Å; H251-D408 IonicContact CD2-OD1 3.63Å; H251-D408 IonicContact CE1-OD1 3.43Å; H251-D408 IonicContact CG-OD1 3.85Å; H251-D408 IonicContact ND1-OD1 2.92Å; H251-D408 IonicContact NE2-OD1 3.75Å
252	S	85.2	Confident	79	Confident	24 Å²	24	43.9 Å²	43.9	17%	0.168	19%	0.191	C	C	.	.	S	Bend	trans	-67.5	-34.2	-178.5	56.2	0	0	0	0	113.6	D408 G410	S252-D408 VanDerWaalsContact CB-OD1 3.28Å; S252-D408 WeakPolarHBondContact CB-OD1 3.38Å; S252-D408 WeakPolarHBondContact CB-OD2 3.44Å; S252-D408 PolarHBondContact N-OD1 3.26Å; S252-D408 PolarHBondContact N-OD2 3.34Å; S252-D408 PolarHBondContact OG-OD1 3.47Å; S252-D408 PolarHBondContact OG-OD2 2.54Å; S252-G410 WeakPolarHBondContact OG-CA 3.38Å; S252-G410 PolarHBondContact OG-N 3.04Å
253	Y	88.5	Confident	81.4	Confident	17 Å²	17	41.4 Å²	41.4	7%	0.067	17%	0.173	C	C	.	.	S	Bend	trans	-128.5	77.8	176.9	-156	-83.5	0	0	0	112.5	H251 P255 A256 W257 Y420 H428 E483 W485	H251-Y253 PolarHBondContact CE1-O 2.8Å; H251-Y253 VanDerWaalsContact ND1-C 3.26Å; H251-Y253 PolarHBondContact ND1-N 3.07Å; H251-Y253 PolarHBondContact ND1-O 3.2Å; H251-Y253 VanDerWaalsContact ND1-O 3.13Å; Y253-P255 VanDerWaalsContact C-CD 3.45Å; Y253-P255 HydrophobicContact CE1-CB 4.26Å; Y253-P255 HydrophobicContact CE1-CG 4.33Å; Y253-A256 HydrophobicContact CD1-CB 3.48Å; Y253-A256 VanDerWaalsContact CD1-CB 3.48Å; Y253-A256 HydrophobicContact CE1-CB 4.11Å; Y253-A256 HydrophobicContact CG-CB 4.42Å; Y253-A256 PolarHBondContact O-N 3.17Å; Y253-W257 PolarHBondContact O-N 3.45Å; Y253-Y420 HydrophobicContact CD1-CD1 4.29Å; Y253-Y420 AromaticContact CE1-CD1 3.35Å; Y253-Y420 HydrophobicContact CE1-CD1 3.35Å; Y253-Y420 AromaticContact CE1-CE1 3.89Å; Y253-Y420 HydrophobicContact CE1-CE1 3.89Å; Y253-Y420 HydrophobicContact CE1-CG 4.19Å; Y253-Y420 AromaticContact CZ-CD1 3.77Å; Y253-H428 PolarHBondContact OH-CE1 3.07Å; Y253-E483 WeakPolarHBondContact CD2-OE2 3.44Å; Y253-E483 VanDerWaalsContact CE2-OE2 3.22Å; Y253-E483 WeakPolarHBondContact CE2-OE2 3.3Å; Y253-W485 HydrophobicContact CD1-CH2 4.44Å; Y253-W485 AromaticContact CD2-CH2 3.8Å; Y253-W485 HydrophobicContact CD2-CH2 3.8Å; Y253-W485 HydrophobicContact CD2-CZ2 4.41Å; Y253-W485 HydrophobicContact CE1-CH2 4.23Å; Y253-W485 HydrophobicContact CE1-CZ3 4.44Å; Y253-W485 AromaticContact CE2-CH2 3.58Å; Y253-W485 HydrophobicContact CE2-CH2 3.58Å; Y253-W485 HydrophobicContact CE2-CZ3 4.34Å; Y253-W485 HydrophobicContact CG-CH2 4.24Å; Y253-W485 AromaticContact CZ-CH2 3.81Å
254	P	87.4	Confident	83.6	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-54.3	-36.9	-171.9	-30.1	37.1	0	0	0	116.8	L240 L247 L248 W257 W258	L240-P254 HydrophobicContact CD1-CB 3.69Å; L240-P254 HydrophobicContact CD2-CB 3.62Å; L240-P254 HydrophobicContact CG-CB 4.3Å; L247-P254 HydrophobicContact CD2-CB 3.88Å; L247-P254 HydrophobicContact CG-CB 3.87Å; L247-P254 HydrophobicContact CG-CG 4.32Å; L248-P254 HydrophobicContact CD2-CG 3.85Å; P254-W257 WeakPolarHBondContact O-CB 3.43Å; P254-W257 PolarHBondContact O-N 3.08Å; P254-W258 PolarHBondContact O-N 2.89Å
255	P	87.9	Confident	85.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-35.4	-179.3	-22.5	34.9	0	0	0	113.8	L238 Y253 W257 W258 T259 W485	L238-P255 HydrophobicContact CB-CB 4.15Å; L238-P255 HydrophobicContact CB-CG 4.44Å; L238-P255 HydrophobicContact CD2-CB 3.22Å; L238-P255 HydrophobicContact CD2-CG 4.04Å; L238-P255 HydrophobicContact CG-CB 4.24Å; Y253-P255 VanDerWaalsContact C-CD 3.45Å; Y253-P255 HydrophobicContact CE1-CB 4.26Å; Y253-P255 HydrophobicContact CE1-CG 4.33Å; P255-W257 VanDerWaalsContact C-N 3.33Å; P255-W258 PolarHBondContact O-N 3.27Å; P255-T259 PolarHBondContact O-N 3.14Å; P255-T259 PolarHBondContact O-OG1 3.3Å; P255-T259 VanDerWaalsContact O-OG1 3.04Å; P255-W485 HydrophobicContact CG-CD2 4.37Å; P255-W485 HydrophobicContact CG-CE3 3.48Å; P255-W485 VanDerWaalsContact CG-CE3 3.48Å; P255-W485 HydrophobicContact CG-CH2 4.2Å; P255-W485 HydrophobicContact CG-CZ3 3.41Å; P255-W485 VanDerWaalsContact CG-CZ3 3.41Å
256	A	91.8	Very high	87.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-39.1	174.7	0	0	0	0	0	110.9	Y253 T259 G260 Y399 Q403 Y420	Y253-A256 HydrophobicContact CD1-CB 3.48Å; Y253-A256 VanDerWaalsContact CD1-CB 3.48Å; Y253-A256 HydrophobicContact CE1-CB 4.11Å; Y253-A256 HydrophobicContact CG-CB 4.42Å; Y253-A256 PolarHBondContact O-N 3.17Å; A256-T259 PolarHBondContact O-N 3.25Å; A256-G260 PolarHBondContact O-N 3.22Å; A256-Y399 HydrophobicContact CB-CD1 4.3Å; A256-Y399 HydrophobicContact CB-CE1 3.44Å; A256-Y399 VanDerWaalsContact CB-CE1 3.44Å; A256-Q403 HydrophobicContact CB-CG 3.99Å; A256-Y420 HydrophobicContact CB-CE1 4.18Å
257	W	91.9	Very high	89.4	Confident	3 Å²	3	17.2 Å²	17.2	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-58.2	-47.9	172.2	-178.8	84.3	0	0	0	111.9	L129 V133 L247 H251 Y253 P254 P255 T259 G260 E261 Q403	L129-W257 HydrophobicContact CB-CH2 4.46Å; L129-W257 HydrophobicContact CB-CZ2 4.43Å; L129-W257 HydrophobicContact CD2-CH2 3.75Å; L129-W257 HydrophobicContact CD2-CZ2 4.15Å; L129-W257 HydrophobicContact CD2-CZ3 4.2Å; L129-W257 HydrophobicContact CG-CH2 3.67Å; L129-W257 HydrophobicContact CG-CZ2 4.1Å; L129-W257 HydrophobicContact CG-CZ3 4.49Å; V133-W257 HydrophobicContact CG2-CH2 3.99Å; L247-W257 HydrophobicContact CD1-CD2 3.91Å; L247-W257 HydrophobicContact CD1-CE3 3.81Å; L247-W257 HydrophobicContact CD1-CG 4.34Å; L247-W257 HydrophobicContact CD1-CZ3 4.29Å; L247-W257 HydrophobicContact CD2-CD2 4.36Å; L247-W257 HydrophobicContact CD2-CE3 3.49Å; L247-W257 VanDerWaalsContact CD2-CE3 3.49Å; L247-W257 HydrophobicContact CD2-CZ3 3.86Å; L247-W257 HydrophobicContact CG-CE3 4.32Å; H251-W257 AromaticContact CD2-CD1 3.48Å; H251-W257 VanDerWaalsContact CD2-CD1 3.48Å; H251-W257 AromaticContact CD2-CG 3.82Å; H251-W257 AromaticContact NE2-CD1 3.84Å; Y253-W257 PolarHBondContact O-N 3.45Å; P254-W257 WeakPolarHBondContact O-CB 3.43Å; P254-W257 PolarHBondContact O-N 3.08Å; P255-W257 VanDerWaalsContact C-N 3.33Å; W257-T259 PolarHBondContact O-N 2.99Å; W257-G260 WeakPolarHBondContact O-CA 3.44Å; W257-G260 PolarHBondContact O-N 3.25Å; W257-G260 VanDerWaalsContact O-N 3.13Å; W257-E261 HydrophobicContact CD2-CG 4.23Å; W257-E261 HydrophobicContact CE3-CG 4.25Å; W257-E261 HydrophobicContact CH2-CG 3.71Å; W257-E261 HydrophobicContact CZ2-CG 3.68Å; W257-E261 HydrophobicContact CZ3-CG 4.01Å; W257-E261 PolarHBondContact O-N 3.12Å; W257-Q403 HydrophobicContact CB-CB 4.42Å
258	W	91.2	Very high	90.5	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-45.1	177.8	175.6	-107.3	0	0	0	112.3	V133 Y177 Y178 L240 P254 P255 G260 E261 L262 W494	V133-W258 HydrophobicContact CG1-CE3 4.48Å; V133-W258 HydrophobicContact CG1-CH2 4.25Å; V133-W258 HydrophobicContact CG1-CZ3 3.65Å; V133-W258 HydrophobicContact CG2-CZ3 4.11Å; Y177-W258 AromaticContact CD1-CH2 3.82Å; Y177-W258 HydrophobicContact CD1-CH2 3.82Å; Y177-W258 AromaticContact CD1-CZ2 3.87Å; Y177-W258 HydrophobicContact CD1-CZ2 3.87Å; Y177-W258 AromaticContact CE1-CH2 3.52Å; Y177-W258 HydrophobicContact CE1-CH2 3.52Å; Y177-W258 AromaticContact CE1-CZ2 3.99Å; Y177-W258 HydrophobicContact CE1-CZ2 3.99Å; Y177-W258 HydrophobicContact CE2-CH2 4.25Å; Y177-W258 HydrophobicContact CG-CH2 4.31Å; Y177-W258 HydrophobicContact CG-CZ2 4.39Å; Y177-W258 AromaticContact CZ-CH2 3.76Å; Y178-W258 HydrophobicContact CE2-CZ2 4.23Å; L240-W258 HydrophobicContact CD2-CB 4.29Å; P254-W258 PolarHBondContact O-N 2.89Å; P255-W258 PolarHBondContact O-N 3.27Å; W258-G260 VanDerWaalsContact C-N 3.29Å; W258-G260 PolarHBondContact O-N 2.85Å; W258-E261 PolarHBondContact O-N 2.95Å; W258-L262 HydrophobicContact CH2-CD2 4.48Å; W258-L262 HydrophobicContact CZ2-CD1 4.38Å; W258-L262 HydrophobicContact CZ2-CD2 4.1Å; W258-L262 HydrophobicContact CZ2-CG 4.42Å; W258-L262 PolarHBondContact O-N 3.39Å; W258-W494 HydrophobicContact CE3-CZ2 4.47Å; W258-W494 HydrophobicContact CZ3-CZ2 4.01Å
259	T	93.2	Very high	91.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-39.7	174.9	-54.3	0	0	0	0	111.2	T170 P255 A256 W257 E261 L262 V263 E400 Y422	T170-T259 HydrophobicContact CG2-CG2 4Å; P255-T259 PolarHBondContact O-N 3.14Å; P255-T259 PolarHBondContact O-OG1 3.3Å; P255-T259 VanDerWaalsContact O-OG1 3.04Å; A256-T259 PolarHBondContact O-N 3.25Å; W257-T259 PolarHBondContact O-N 2.99Å; T259-E261 PolarHBondContact O-N 3.48Å; T259-L262 PolarHBondContact O-N 2.77Å; T259-V263 HydrophobicContact CG2-CG2 4.18Å; T259-V263 WeakPolarHBondContact O-CB 3.16Å; T259-V263 WeakPolarHBondContact O-CG2 3.4Å; T259-V263 PolarHBondContact O-N 3.48Å; T259-E400 HydrophobicContact CG2-CB 4.34Å; T259-E400 HydrophobicContact CG2-CG 3.81Å; T259-E400 VanDerWaalsContact CG2-OE2 3.3Å; T259-E400 WeakPolarHBondContact CG2-OE2 3.17Å; T259-Y422 HydrophobicContact CG2-CD2 4.13Å; T259-Y422 HydrophobicContact CG2-CE2 3.79Å
260	G	95.3	Very high	92.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.3	-40.8	175.9	0	0	0	0	0	114	A256 W257 W258 S264 E400	A256-G260 PolarHBondContact O-N 3.22Å; W257-G260 WeakPolarHBondContact O-CA 3.44Å; W257-G260 PolarHBondContact O-N 3.25Å; W257-G260 VanDerWaalsContact O-N 3.13Å; W258-G260 VanDerWaalsContact C-N 3.29Å; W258-G260 PolarHBondContact O-N 2.85Å; G260-S264 VanDerWaalsContact O-CB 3.25Å; G260-S264 WeakPolarHBondContact O-CB 3.4Å; G260-S264 PolarHBondContact O-N 2.74Å; G260-S264 PolarHBondContact O-OG 2.89Å; G260-E400 WeakPolarHBondContact CA-O 3.5Å
261	E	94.6	Very high	93.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-43.2	174.2	-67.7	-58.8	132.2	0	0	112.3	S130 V133 Q134 W257 W258 T259 S264 Y265 H404	S130-E261 VanDerWaalsContact CB-OE1 3.26Å; S130-E261 WeakPolarHBondContact CB-OE1 3.47Å; S130-E261 WeakPolarHBondContact CB-OE2 3.37Å; S130-E261 PolarHBondContact OG-OE1 3.01Å; S130-E261 PolarHBondContact OG-OE2 3.31Å; V133-E261 HydrophobicContact CG1-CB 3.92Å; V133-E261 HydrophobicContact CG1-CG 4.24Å; Q134-E261 PolarHBondContact NE2-O 2.9Å; Q134-E261 PolarHBondContact NE2-OE2 2.84Å; W257-E261 HydrophobicContact CD2-CG 4.23Å; W257-E261 HydrophobicContact CE3-CG 4.25Å; W257-E261 HydrophobicContact CH2-CG 3.71Å; W257-E261 HydrophobicContact CZ2-CG 3.68Å; W257-E261 HydrophobicContact CZ3-CG 4.01Å; W257-E261 PolarHBondContact O-N 3.12Å; W258-E261 PolarHBondContact O-N 2.95Å; T259-E261 PolarHBondContact O-N 3.48Å; E261-S264 PolarHBondContact O-N 1.98Å; E261-Y265 PolarHBondContact O-N 3.3Å; E261-Y265 VanDerWaalsContact O-N 3.11Å; E261-H404 IonicContact OE1-CE1 3Å; E261-H404 IonicContact OE1-CG 3.53Å; E261-H404 IonicContact OE1-ND1 3.41Å; E261-H404 PolarHBondContact OE1-ND1 2.94Å; E261-H404 IonicContact OE2-CE1 2.84Å; E261-H404 IonicContact OE2-ND1 3.3Å; E261-H404 PolarHBondContact OE2-ND1 3.27Å
262	L	95.7	Very high	94.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.6	-45.9	178.2	-61.7	177.5	0	0	0	111.8	L137 T170 L173 Q174 W258 T259 S264 Y265 L266	L137-L262 HydrophobicContact CD1-CD2 4.09Å; L137-L262 HydrophobicContact CD2-CD2 3.78Å; T170-L262 HydrophobicContact CG2-CB 3.8Å; T170-L262 HydrophobicContact CG2-CD1 4.1Å; L173-L262 HydrophobicContact CD2-CB 4.38Å; L173-L262 HydrophobicContact CD2-CD2 4.08Å; L173-L262 HydrophobicContact CG-CD2 4.17Å; Q174-L262 HydrophobicContact CB-CD1 3.68Å; Q174-L262 HydrophobicContact CG-CD1 4.04Å; W258-L262 HydrophobicContact CH2-CD2 4.48Å; W258-L262 HydrophobicContact CZ2-CD1 4.38Å; W258-L262 HydrophobicContact CZ2-CD2 4.1Å; W258-L262 HydrophobicContact CZ2-CG 4.42Å; W258-L262 PolarHBondContact O-N 3.39Å; T259-L262 PolarHBondContact O-N 2.77Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.27Å; L262-Y265 PolarHBondContact O-N 3.02Å; L262-L266 WeakPolarHBondContact O-CG 3.28Å; L262-L266 PolarHBondContact O-N 2.83Å; L262-L266 VanDerWaalsContact O-N 3.07Å
263	V	97	Very high	94.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-41.3	176.1	165	0	0	0	0	110.6	T170 T259 L266 M267 L397 E400 K401	T170-V263 HydrophobicContact CG2-CG2 4.08Å; T259-V263 HydrophobicContact CG2-CG2 4.18Å; T259-V263 WeakPolarHBondContact O-CB 3.16Å; T259-V263 WeakPolarHBondContact O-CG2 3.4Å; T259-V263 PolarHBondContact O-N 3.48Å; V263-L266 PolarHBondContact O-N 3.33Å; V263-M267 HydrophobicContact CG1-CG 4.31Å; V263-M267 HydrophobicContact CG1-SD 3.68Å; V263-M267 WeakPolarHBondContact O-CB 3.49Å; V263-M267 PolarHBondContact O-N 3.42Å; V263-L397 HydrophobicContact CB-CD1 4.35Å; V263-L397 HydrophobicContact CG1-CD1 3.57Å; V263-L397 HydrophobicContact CG2-CD1 3.75Å; V263-E400 HydrophobicContact CG2-CB 4.44Å; V263-K401 HydrophobicContact CG1-CB 4.25Å
264	S	96.6	Very high	95.1	Very high	10 Å²	10	19 Å²	19	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-70.3	-33	-178.7	-60.8	0	0	0	0	112.8	G260 E261 L262 R268 H404	G260-S264 VanDerWaalsContact O-CB 3.25Å; G260-S264 WeakPolarHBondContact O-CB 3.4Å; G260-S264 PolarHBondContact O-N 2.74Å; G260-S264 PolarHBondContact O-OG 2.89Å; E261-S264 PolarHBondContact O-N 1.98Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.27Å; S264-R268 WeakPolarHBondContact O-CG 3.46Å; S264-H404 WeakPolarHBondContact CB-CD2 3.34Å; S264-H404 VanDerWaalsContact CB-CG 3.5Å; S264-H404 WeakPolarHBondContact OG-CB 3.45Å; S264-H404 PolarHBondContact OG-CD2 3.36Å; S264-H404 VanDerWaalsContact OG-CD2 3.25Å
265	Y	97.7	Very high	95.6	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-65.9	-43.2	171.1	-174.3	-85.3	0	0	0	112.1	L137 Q141 L173 V204 E261 L262 R268	L137-Y265 HydrophobicContact CB-CD2 3.46Å; L137-Y265 VanDerWaalsContact CB-CD2 3.46Å; L137-Y265 HydrophobicContact CB-CE2 3.64Å; L137-Y265 HydrophobicContact CB-CG 3.94Å; L137-Y265 HydrophobicContact CD1-CD2 4.12Å; L137-Y265 HydrophobicContact CD1-CG 4.06Å; L137-Y265 HydrophobicContact CG-CD2 4.42Å; Q141-Y265 HydrophobicContact CB-CE1 4.41Å; Q141-Y265 VanDerWaalsContact CB-OH 3.28Å; Q141-Y265 WeakPolarHBondContact CB-OH 3.44Å; Q141-Y265 HydrophobicContact CG-CE1 3.8Å; L173-Y265 HydrophobicContact CD2-CD1 4.05Å; V204-Y265 HydrophobicContact CG1-CE1 4.41Å; V204-Y265 PolarHBondContact O-OH 3.34Å; E261-Y265 PolarHBondContact O-N 3.3Å; E261-Y265 VanDerWaalsContact O-N 3.11Å; L262-Y265 PolarHBondContact O-N 3.02Å; Y265-R268 VanDerWaalsContact CZ-NH2 3.27Å; Y265-R268 WeakPolarHBondContact O-CG 3.24Å; Y265-R268 PolarHBondContact O-NE 3.01Å; Y265-R268 VanDerWaalsContact O-NE 3.1Å; Y265-R268 PolarHBondContact OH-NH2 3.4Å
266	L	97.8	Very high	95.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-70.1	-50.1	-179.2	-71.1	171	0	0	0	111.5	V169 L173 M183 W197 V204 L262 V263 R268	V169-L266 HydrophobicContact CB-CD1 4.33Å; V169-L266 HydrophobicContact CG1-CD1 3.86Å; V169-L266 HydrophobicContact CG1-CD2 3.78Å; V169-L266 HydrophobicContact CG1-CG 4.45Å; L173-L266 HydrophobicContact CB-CD1 4.33Å; L173-L266 HydrophobicContact CD2-CD1 3.99Å; L173-L266 HydrophobicContact CD2-CD2 3.85Å; L173-L266 HydrophobicContact CD2-CG 3.67Å; M183-L266 HydrophobicContact CE-CD2 3.85Å; W197-L266 HydrophobicContact CH2-CB 4.41Å; W197-L266 HydrophobicContact CZ2-CB 3.98Å; W197-L266 WeakPolarHBondContact CZ2-O 3.49Å; V204-L266 HydrophobicContact CG1-CD2 4.44Å; V204-L266 HydrophobicContact CG2-CD2 3.95Å; L262-L266 WeakPolarHBondContact O-CG 3.28Å; L262-L266 PolarHBondContact O-N 2.83Å; L262-L266 VanDerWaalsContact O-N 3.07Å; V263-L266 PolarHBondContact O-N 3.33Å; L266-R268 PolarHBondContact O-N 2.94Å; L266-R268 VanDerWaalsContact O-N 3.08Å
267	M	97.4	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	42.4	-175.8	-61.6	-178.6	73.6	0	0	112.7	F162 V166 F201 V263 Y269 I377 L397	F162-M267 HydrophobicContact CE1-CE 4.31Å; F162-M267 HydrophobicContact CZ-CE 4.3Å; V166-M267 HydrophobicContact CG1-CG 4.42Å; V166-M267 HydrophobicContact CG1-SD 4.13Å; F201-M267 HydrophobicContact CD1-CB 4.14Å; F201-M267 HydrophobicContact CE1-CB 3.66Å; F201-M267 HydrophobicContact CE1-CE 4.01Å; F201-M267 HydrophobicContact CE1-CG 3.93Å; F201-M267 HydrophobicContact CE2-CG 4.5Å; F201-M267 HydrophobicContact CZ-CB 4.17Å; F201-M267 HydrophobicContact CZ-CE 3.69Å; F201-M267 HydrophobicContact CZ-CG 3.9Å; V263-M267 HydrophobicContact CG1-CG 4.31Å; V263-M267 HydrophobicContact CG1-SD 3.68Å; V263-M267 WeakPolarHBondContact O-CB 3.49Å; V263-M267 PolarHBondContact O-N 3.42Å; M267-Y269 PolarHBondContact O-N 3.11Å; M267-I377 HydrophobicContact CE-CG2 4.22Å; M267-L397 HydrophobicContact SD-CD1 4.04Å; M267-L397 HydrophobicContact SD-CD2 4.16Å; M267-L397 HydrophobicContact SD-CG 4.26Å
268	R	97.7	Very high	96.3	Very high	57 Å²	57	32.2 Å²	32.2	22%	0.215	17%	0.167	C	C	.	.			trans	-73.7	116.7	166.1	-71	-179.2	-62.8	-156.7	1.4	107.6	F201 Q202 S264 Y265 L266	F201-R268 CarbonylContact C-O 3.58Å; F201-R268 VanDerWaalsContact CA-O 3.24Å; F201-R268 WeakPolarHBondContact CA-O 3.46Å; Q202-R268 HydrophobicContact CB-CB 4.14Å; Q202-R268 HydrophobicContact CG-CB 4.21Å; Q202-R268 PolarHBondContact N-O 3.04Å; S264-R268 WeakPolarHBondContact O-CG 3.46Å; Y265-R268 VanDerWaalsContact CZ-NH2 3.27Å; Y265-R268 WeakPolarHBondContact O-CG 3.24Å; Y265-R268 PolarHBondContact O-NE 3.01Å; Y265-R268 VanDerWaalsContact O-NE 3.1Å; Y265-R268 PolarHBondContact OH-NH2 3.4Å; L266-R268 PolarHBondContact O-N 2.94Å; L266-R268 VanDerWaalsContact O-N 3.08Å
269	Y	97.8	Very high	96.5	Very high	27 Å²	27	38.7 Å²	38.7	11%	0.106	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-68.6	145.5	-177.6	-52.9	-54.2	0	0	0	111.3	F201 Q202 M267 M273 S274 L277 V374 H378 K401	F201-Y269 AromaticContact CD1-CD1 3.88Å; F201-Y269 HydrophobicContact CD1-CD1 3.88Å; F201-Y269 HydrophobicContact CD1-CE1 4.33Å; F201-Y269 AromaticContact CE1-CD1 3.67Å; F201-Y269 HydrophobicContact CE1-CD1 3.67Å; F201-Y269 AromaticContact CE1-CE1 3.69Å; F201-Y269 HydrophobicContact CE1-CE1 3.69Å; Q202-Y269 WeakPolarHBondContact CG-O 3.24Å; Q202-Y269 PolarHBondContact NE2-O 3.25Å; M267-Y269 PolarHBondContact O-N 3.11Å; Y269-M273 HydrophobicContact CD1-CG 4.15Å; Y269-M273 HydrophobicContact CG-CG 4.43Å; Y269-S274 WeakPolarHBondContact CB-OG 3.36Å; Y269-L277 HydrophobicContact CD1-CD1 4.24Å; Y269-L277 HydrophobicContact CD2-CD1 3.53Å; Y269-L277 HydrophobicContact CE1-CD1 4.12Å; Y269-L277 HydrophobicContact CE2-CD1 3.35Å; Y269-L277 HydrophobicContact CG-CD1 3.97Å; Y269-V374 HydrophobicContact CD1-CG1 4.22Å; Y269-V374 HydrophobicContact CE1-CG1 3.58Å; Y269-H378 AromaticContact CE2-ND1 3.7Å; Y269-H378 AromaticContact CZ-ND1 3.95Å; Y269-H378 WeakPolarHBondContact OH-CB 3.39Å; Y269-H378 PolarHBondContact OH-ND1 2.98Å; Y269-K401 WeakPolarHBondContact OH-CE 3.16Å; Y269-K401 PolarHBondContact OH-NZ 3.08Å
270	N	97.5	Very high	96.5	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.134	21%	0.207	C	C	.	.			trans	-70.5	174.2	165.8	67.5	18	0	0	0	110	T198 S199 V200 E272 M273 S274	T198-N270 PolarHBondContact O-ND2 2.99Å; S199-N270 PolarHBondContact O-ND2 2.93Å; S199-N270 VanDerWaalsContact O-ND2 3.08Å; V200-N270 PolarHBondContact O-N 3.39Å; V200-N270 VanDerWaalsContact O-N 3.13Å; N270-E272 PolarHBondContact OD1-N 3.43Å; N270-M273 WeakPolarHBondContact OD1-CB 3.5Å; N270-M273 PolarHBondContact OD1-N 2.97Å; N270-S274 WeakPolarHBondContact O-CB 3.47Å; N270-S274 PolarHBondContact O-N 3.26Å; N270-S274 PolarHBondContact O-OG 2.94Å
271	S	97.5	Very high	96.5	Very high	92 Å²	92	42.3 Å²	42.3	64%	0.643	22%	0.22	S	C	*	.	H	α-helix	trans	-61.5	-47.4	-177.3	49.4	0	0	0	0	112.1	M273 S274 D275	S271-M273 PolarHBondContact O-N 3.18Å; S271-S274 WeakPolarHBondContact O-CB 3.29Å; S271-S274 PolarHBondContact O-N 2.68Å; S271-S274 VanDerWaalsContact O-N 3.13Å; S271-D275 VanDerWaalsContact O-CG 3.28Å; S271-D275 PolarHBondContact O-N 3.19Å
272	E	96.5	Very high	96.5	Very high	125 Å²	125	47.7 Å²	47.7	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-58.2	-47	-179.6	-174.9	-175.4	161.5	0	0	112.3	N270 S274 D275 K276	N270-E272 PolarHBondContact OD1-N 3.43Å; E272-S274 VanDerWaalsContact C-N 3.35Å; E272-D275 PolarHBondContact O-N 3.5Å; E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 PolarHBondContact O-N 3.07Å
273	M	97.1	Very high	96.3	Very high	4 Å²	4	54 Å²	54	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-34.5	178.5	-170.4	59.2	-171.3	0	0	111.8	V200 Y269 N270 S271 K276 L277 Q371 V374	V200-M273 HydrophobicContact CB-CG 4.41Å; Y269-M273 HydrophobicContact CD1-CG 4.15Å; Y269-M273 HydrophobicContact CG-CG 4.43Å; N270-M273 WeakPolarHBondContact OD1-CB 3.5Å; N270-M273 PolarHBondContact OD1-N 2.97Å; S271-M273 PolarHBondContact O-N 3.18Å; M273-K276 PolarHBondContact O-N 3.37Å; M273-K276 HydrophobicContact SD-CD 4.23Å; M273-L277 HydrophobicContact CE-CD1 4.27Å; M273-L277 HydrophobicContact CE-CD2 3.8Å; M273-L277 HydrophobicContact CE-CG 3.95Å; M273-L277 HydrophobicContact CG-CD1 4.37Å; M273-L277 VanDerWaalsContact O-CG 3.24Å; M273-L277 WeakPolarHBondContact O-CG 3.48Å; M273-L277 PolarHBondContact O-N 2.72Å; M273-Q371 HydrophobicContact SD-CB 4.45Å; M273-Q371 HydrophobicContact SD-CG 4.27Å; M273-V374 HydrophobicContact CE-CB 3.84Å; M273-V374 HydrophobicContact CE-CG1 3.54Å
274	S	97.4	Very high	96.1	Very high	46 Å²	46	55.3 Å²	55.3	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-48.6	175	-58.3	0	0	0	0	111.3	Y269 N270 S271 E272 K276 L277 E278	Y269-S274 WeakPolarHBondContact CB-OG 3.36Å; N270-S274 WeakPolarHBondContact O-CB 3.47Å; N270-S274 PolarHBondContact O-N 3.26Å; N270-S274 PolarHBondContact O-OG 2.94Å; S271-S274 WeakPolarHBondContact O-CB 3.29Å; S271-S274 PolarHBondContact O-N 2.68Å; S271-S274 VanDerWaalsContact O-N 3.13Å; E272-S274 VanDerWaalsContact C-N 3.35Å; S274-K276 VanDerWaalsContact C-N 3.3Å; S274-K276 PolarHBondContact O-N 3.06Å; S274-L277 PolarHBondContact O-N 3.16Å; S274-L277 VanDerWaalsContact O-N 3.16Å; S274-E278 PolarHBondContact O-N 3.43Å
275	D	97.4	Very high	95.8	Very high	88 Å²	88	60.3 Å²	60.3	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178.5	-64.2	-14.4	0	0	0	111	S271 E272 E278 Q279	S271-D275 VanDerWaalsContact O-CG 3.28Å; S271-D275 PolarHBondContact O-N 3.19Å; E272-D275 PolarHBondContact O-N 3.5Å; D275-E278 PolarHBondContact O-N 3.39Å; D275-Q279 VanDerWaalsContact O-CG 3.29Å; D275-Q279 WeakPolarHBondContact O-CG 3.42Å; D275-Q279 PolarHBondContact O-N 3.08Å; D275-Q279 PolarHBondContact O-NE2 3.34Å
276	K	95.2	Very high	95.6	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.239	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-43.7	175.5	-174.1	178.8	-175.2	-177.4	0	112.1	E272 M273 S274 E278 Q279 M280	E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 PolarHBondContact O-N 3.07Å; M273-K276 PolarHBondContact O-N 3.37Å; M273-K276 HydrophobicContact SD-CD 4.23Å; S274-K276 VanDerWaalsContact C-N 3.3Å; S274-K276 PolarHBondContact O-N 3.06Å; K276-E278 VanDerWaalsContact C-N 3.34Å; K276-Q279 PolarHBondContact O-N 3.38Å; K276-M280 WeakPolarHBondContact O-CB 3.01Å; K276-M280 VanDerWaalsContact O-CG 3.25Å; K276-M280 WeakPolarHBondContact O-CG 3.34Å; K276-M280 PolarHBondContact O-N 3.03Å
277	L	96.2	Very high	95.3	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-37.4	179.1	-70.9	173.3	0	0	0	111.8	Y269 M273 S274 M280 A281 T375 H378	Y269-L277 HydrophobicContact CD1-CD1 4.24Å; Y269-L277 HydrophobicContact CD2-CD1 3.53Å; Y269-L277 HydrophobicContact CE1-CD1 4.12Å; Y269-L277 HydrophobicContact CE2-CD1 3.35Å; Y269-L277 HydrophobicContact CG-CD1 3.97Å; M273-L277 HydrophobicContact CE-CD1 4.27Å; M273-L277 HydrophobicContact CE-CD2 3.8Å; M273-L277 HydrophobicContact CE-CG 3.95Å; M273-L277 HydrophobicContact CG-CD1 4.37Å; M273-L277 VanDerWaalsContact O-CG 3.24Å; M273-L277 WeakPolarHBondContact O-CG 3.48Å; M273-L277 PolarHBondContact O-N 2.72Å; S274-L277 PolarHBondContact O-N 3.16Å; S274-L277 VanDerWaalsContact O-N 3.16Å; L277-M280 PolarHBondContact O-N 2.92Å; L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 2.98Å; L277-T375 HydrophobicContact CD2-CG2 4.23Å; L277-H378 HydrophobicContact CD1-CB 4.39Å; L277-H378 HydrophobicContact CD2-CB 4.09Å
278	E	96.1	Very high	94.9	Very high	135 Å²	135	69 Å²	69	63%	0.631	36%	0.356	S	S	*	.	H	α-helix	trans	-66.3	-42.7	175.1	-173.8	170.2	-169	0	0	112.3	S274 D275 K276 M280 A281 T282	S274-E278 PolarHBondContact O-N 3.43Å; D275-E278 PolarHBondContact O-N 3.39Å; K276-E278 VanDerWaalsContact C-N 3.34Å; E278-M280 VanDerWaalsContact C-N 3.35Å; E278-M280 PolarHBondContact O-N 2.91Å; E278-A281 PolarHBondContact O-N 2.75Å; E278-T282 PolarHBondContact O-N 2.85Å; E278-T282 VanDerWaalsContact O-N 3.1Å; E278-T282 PolarHBondContact O-OG1 3.38Å; E278-T282 VanDerWaalsContact O-OG1 3.12Å
279	Q	95.2	Very high	94.6	Very high	136 Å²	136	69.3 Å²	69.3	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-61	-43.8	172.8	-71.9	172.4	49.6	0	0	111.6	D275 K276 T282 L283	D275-Q279 VanDerWaalsContact O-CG 3.29Å; D275-Q279 WeakPolarHBondContact O-CG 3.42Å; D275-Q279 PolarHBondContact O-N 3.08Å; D275-Q279 PolarHBondContact O-NE2 3.34Å; K276-Q279 PolarHBondContact O-N 3.38Å; Q279-T282 WeakPolarHBondContact O-CB 3.36Å; Q279-T282 PolarHBondContact O-N 2.99Å; Q279-L283 WeakPolarHBondContact O-CB 3.09Å; Q279-L283 PolarHBondContact O-N 3.44Å
280	M	93.5	Very high	94.3	Very high	46 Å²	46	68 Å²	68	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-39.1	176.7	-73	-69.4	177.4	0	0	112	K276 L277 E278 T282 L283 Y284 F379	K276-M280 WeakPolarHBondContact O-CB 3.01Å; K276-M280 VanDerWaalsContact O-CG 3.25Å; K276-M280 WeakPolarHBondContact O-CG 3.34Å; K276-M280 PolarHBondContact O-N 3.03Å; L277-M280 PolarHBondContact O-N 2.92Å; E278-M280 VanDerWaalsContact C-N 3.35Å; E278-M280 PolarHBondContact O-N 2.91Å; M280-T282 VanDerWaalsContact C-N 3.27Å; M280-T282 PolarHBondContact O-N 3Å; M280-L283 PolarHBondContact O-N 3.15Å; M280-L283 HydrophobicContact SD-CD2 4.11Å; M280-Y284 HydrophobicContact CB-CE2 4.26Å; M280-Y284 WeakPolarHBondContact O-CB 3.24Å; M280-Y284 WeakPolarHBondContact O-CD2 3.19Å; M280-Y284 PolarHBondContact O-N 2.81Å; M280-Y284 HydrophobicContact SD-CE1 4.45Å; M280-F379 HydrophobicContact CB-CE2 3.87Å; M280-F379 HydrophobicContact CB-CZ 3.97Å
281	A	94.4	Very high	94.1	Very high	32 Å²	32	66.9 Å²	66.9	26%	0.264	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-40.6	176.9	0	0	0	0	0	111.3	L277 E278 N285 F286 F379	L277-A281 WeakPolarHBondContact O-CB 3.42Å; L277-A281 PolarHBondContact O-N 2.98Å; E278-A281 PolarHBondContact O-N 2.75Å; A281-N285 PolarHBondContact O-N 2.8Å; A281-F286 HydrophobicContact CB-CB 4.45Å; A281-F286 PolarHBondContact O-N 3.44Å; A281-F379 HydrophobicContact CB-CE1 3.9Å; A281-F379 HydrophobicContact CB-CZ 3.97Å
282	T	94.6	Very high	94	Very high	112 Å²	112	62.5 Å²	62.5	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-49.6	174.5	-57.1	0	0	0	0	111.6	E278 Q279 M280 Y284 N285	E278-T282 PolarHBondContact O-N 2.85Å; E278-T282 VanDerWaalsContact O-N 3.1Å; E278-T282 PolarHBondContact O-OG1 3.38Å; E278-T282 VanDerWaalsContact O-OG1 3.12Å; Q279-T282 WeakPolarHBondContact O-CB 3.36Å; Q279-T282 PolarHBondContact O-N 2.99Å; M280-T282 VanDerWaalsContact C-N 3.27Å; M280-T282 PolarHBondContact O-N 3Å; T282-Y284 VanDerWaalsContact C-N 3.28Å; T282-Y284 PolarHBondContact O-N 3.44Å; T282-N285 PolarHBondContact O-N 3.46Å
283	L	92.7	Very high	94	Very high	132 Å²	132	56.5 Å²	56.5	69%	0.691	30%	0.296	S	S	*	.	H	α-helix	trans	-58.4	-40.4	178.9	179.1	64.6	0	0	0	112.2	Q279 M280 N285	Q279-L283 WeakPolarHBondContact O-CB 3.09Å; Q279-L283 PolarHBondContact O-N 3.44Å; M280-L283 PolarHBondContact O-N 3.15Å; M280-L283 HydrophobicContact SD-CD2 4.11Å; L283-N285 VanDerWaalsContact C-N 3.25Å; L283-N285 PolarHBondContact O-N 3.49Å
284	Y	91.3	Very high	94	Very high	28 Å²	28	56.7 Å²	56.7	11%	0.11	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.6	178.6	-72.6	-12.9	0	0	0	114.1	M280 T282 F286 Y328 I350 S352 F379	M280-Y284 HydrophobicContact CB-CE2 4.26Å; M280-Y284 WeakPolarHBondContact O-CB 3.24Å; M280-Y284 WeakPolarHBondContact O-CD2 3.19Å; M280-Y284 PolarHBondContact O-N 2.81Å; M280-Y284 HydrophobicContact SD-CE1 4.45Å; T282-Y284 VanDerWaalsContact C-N 3.28Å; T282-Y284 PolarHBondContact O-N 3.44Å; Y284-F286 PolarHBondContact O-N 3.48Å; Y284-Y328 HydrophobicContact CD2-CE2 4.15Å; Y284-Y328 AromaticContact CE2-CE2 3.97Å; Y284-Y328 HydrophobicContact CE2-CE2 3.97Å; Y284-I350 VanDerWaalsContact CB-CG2 3.44Å; Y284-I350 HydrophobicContact CD1-CG2 4.09Å; Y284-I350 HydrophobicContact CD2-CG2 3.95Å; Y284-I350 HydrophobicContact CG-CG2 3.55Å; Y284-S352 VanDerWaalsContact OH-CB 3.27Å; Y284-S352 WeakPolarHBondContact OH-CB 3.16Å; Y284-F379 HydrophobicContact CD2-CD2 4.11Å; Y284-F379 AromaticContact CD2-CE2 3.77Å; Y284-F379 HydrophobicContact CD2-CE2 3.77Å; Y284-F379 HydrophobicContact CD2-CZ 4.01Å; Y284-F379 AromaticContact CE2-CD2 3.9Å; Y284-F379 HydrophobicContact CE2-CD2 3.9Å; Y284-F379 AromaticContact CE2-CE2 3.64Å; Y284-F379 HydrophobicContact CE2-CE2 3.64Å; Y284-F379 HydrophobicContact CE2-CZ 4.33Å
285	N	91.8	Very high	93.8	Very high	115 Å²	115	54.5 Å²	54.5	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	42.6	-167.6	-169.6	18	0	0	0	111	A281 T282 L283 S287	A281-N285 PolarHBondContact O-N 2.8Å; T282-N285 PolarHBondContact O-N 3.46Å; L283-N285 VanDerWaalsContact C-N 3.25Å; L283-N285 PolarHBondContact O-N 3.49Å; N285-S287 PolarHBondContact O-N 3.17Å; N285-S287 VanDerWaalsContact O-N 3.17Å; N285-S287 PolarHBondContact O-OG 3.5Å
286	F	92.7	Very high	93.3	Very high	32 Å²	32	52 Å²	52	14%	0.14	27%	0.265	C	S	.	.			trans	-64.6	117	-171.9	-170.5	-83.5	0	0	0	109.4	A281 Y284 Y288 I290 Y328 F379 L382	A281-F286 HydrophobicContact CB-CB 4.45Å; A281-F286 PolarHBondContact O-N 3.44Å; Y284-F286 PolarHBondContact O-N 3.48Å; F286-Y288 HydrophobicContact CE1-CE1 4.43Å; F286-I290 HydrophobicContact CD2-CD1 3.94Å; F286-I290 HydrophobicContact CE1-CG2 4.11Å; F286-I290 HydrophobicContact CE2-CD1 3.61Å; F286-I290 HydrophobicContact CE2-CG2 4.29Å; F286-I290 HydrophobicContact CZ-CD1 4.14Å; F286-I290 HydrophobicContact CZ-CG2 3.7Å; F286-Y328 HydrophobicContact CD2-CD2 4.49Å; F286-Y328 HydrophobicContact CE2-CD2 4.28Å; F286-F379 HydrophobicContact CB-CE1 4.21Å; F286-F379 HydrophobicContact CD1-CD1 4.32Å; F286-F379 HydrophobicContact CD1-CE1 4.49Å; F286-F379 HydrophobicContact CD2-CB 4.48Å; F286-F379 AromaticContact CD2-CD1 3.39Å; F286-F379 HydrophobicContact CD2-CD1 3.39Å; F286-F379 AromaticContact CD2-CE1 3.9Å; F286-F379 HydrophobicContact CD2-CE1 3.9Å; F286-F379 HydrophobicContact CD2-CG 4.19Å; F286-F379 HydrophobicContact CE1-CD1 4.4Å; F286-F379 HydrophobicContact CE2-CB 3.93Å; F286-F379 AromaticContact CE2-CD1 3.47Å; F286-F379 HydrophobicContact CE2-CD1 3.47Å; F286-F379 VanDerWaalsContact CE2-CD1 3.47Å; F286-F379 HydrophobicContact CE2-CE1 4.38Å; F286-F379 HydrophobicContact CE2-CG 4.08Å; F286-F379 AromaticContact CG-CD1 3.84Å; F286-F379 HydrophobicContact CG-CD1 3.84Å; F286-F379 AromaticContact CG-CE1 3.94Å; F286-F379 HydrophobicContact CG-CE1 3.94Å; F286-F379 HydrophobicContact CZ-CD1 4Å; F286-L382 HydrophobicContact CE1-CB 3.97Å; F286-L382 HydrophobicContact CE1-CD1 4.44Å; F286-L382 HydrophobicContact CZ-CB 3.86Å
287	S	92.4	Very high	92.7	Very high	33 Å²	33	50.3 Å²	50.3	23%	0.231	26%	0.257	C	S	.	.			trans	-154.2	153.7	-172.9	43	0	0	0	0	111.4	N285 K326	N285-S287 PolarHBondContact O-N 3.17Å; N285-S287 VanDerWaalsContact O-N 3.17Å; N285-S287 PolarHBondContact O-OG 3.5Å; S287-K326 PolarHBondContact OG-NZ 3.25Å
288	Y	89	Confident	91.7	Very high	124 Å²	124	52.9 Å²	52.9	49%	0.486	27%	0.273	S	S	.	.	S	Bend	trans	-88.1	152.2	-176.8	-57.3	-79.5	0	0	0	111.8	F286 I290 L382 N384	F286-Y288 HydrophobicContact CE1-CE1 4.43Å; Y288-I290 HydrophobicContact CD1-CG2 4.22Å; Y288-I290 HydrophobicContact CE1-CG2 4.49Å; Y288-L382 VanDerWaalsContact CE1-O 3.22Å; Y288-L382 WeakPolarHBondContact CE1-O 3.48Å; Y288-N384 WeakPolarHBondContact CD1-OD1 3.5Å
289	P	89.7	Confident	90.5	Very high	63 Å²	63	48.7 Å²	48.7	41%	0.409	26%	0.255	S	S	.	.	S	Bend	cis	-78.3	143.1	-5.2	32.5	-34.7	0	0	0	112.5	K324 N384	P289-K324 HydrophobicContact CB-CD 4.38Å; P289-K324 HydrophobicContact CB-CG 4.11Å; P289-K324 HydrophobicContact CG-CG 4.16Å; P289-N384 WeakPolarHBondContact CA-OD1 3.34Å
290	I	91.3	Very high	89.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.8	179.4	-169.1	164.5	0	0	0	111.3	F286 Y288 K326 I350 N384	F286-I290 HydrophobicContact CD2-CD1 3.94Å; F286-I290 HydrophobicContact CE1-CG2 4.11Å; F286-I290 HydrophobicContact CE2-CD1 3.61Å; F286-I290 HydrophobicContact CE2-CG2 4.29Å; F286-I290 HydrophobicContact CZ-CD1 4.14Å; F286-I290 HydrophobicContact CZ-CG2 3.7Å; Y288-I290 HydrophobicContact CD1-CG2 4.22Å; Y288-I290 HydrophobicContact CE1-CG2 4.49Å; I290-K326 HydrophobicContact CB-CB 4.38Å; I290-K326 HydrophobicContact CD1-CB 4.35Å; I290-K326 HydrophobicContact CG1-CB 4.1Å; I290-I350 HydrophobicContact CD1-CD1 3.88Å; I290-N384 PolarHBondContact N-OD1 3.39Å; I290-N384 PolarHBondContact O-N 3.49Å; I290-N384 PolarHBondContact O-OD1 3.28Å
291	V	93.5	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.6	172.1	-177.5	0	0	0	0	108.7	V317 C320 K324 K326 V327 Y328 F385 V387	V291-V317 HydrophobicContact CB-CG1 4.29Å; V291-V317 HydrophobicContact CG1-CG1 4.36Å; V291-V317 HydrophobicContact CG1-CG2 3.95Å; V291-V317 HydrophobicContact CG2-CG1 4.32Å; V291-C320 HydrophobicContact CG2-CB 4.47Å; V291-K324 HydrophobicContact CG2-CB 4.43Å; V291-K324 HydrophobicContact CG2-CD 3.53Å; V291-K326 PolarHBondContact N-O 3.29Å; V291-V327 CarbonylContact O-C 3.59Å; V291-V327 VanDerWaalsContact O-CA 3.26Å; V291-V327 WeakPolarHBondContact O-CA 3.14Å; V291-Y328 PolarHBondContact O-N 2.89Å; V291-F385 WeakPolarHBondContact CA-O 3.49Å; V291-F385 HydrophobicContact CG1-CB 4.47Å; V291-F385 WeakPolarHBondContact CG1-O 3.38Å; V291-V387 HydrophobicContact CG1-CG2 3.95Å
292	G	95.6	Very high	86.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.2	174.8	0	0	0	0	0	109.7	Y328 S383 F385 L386 V387	G292-Y328 CarbonylContact C-O 3.22Å; G292-S383 VanDerWaalsContact CA-OG 3.3Å; G292-S383 WeakPolarHBondContact CA-OG 3.16Å; G292-S383 VanDerWaalsContact N-CB 3.26Å; G292-S383 PolarHBondContact N-OG 3.03Å; G292-F385 PolarHBondContact N-O 3.13Å; G292-L386 CarbonylContact O-C 3.58Å; G292-L386 WeakPolarHBondContact O-CA 3.08Å; G292-V387 PolarHBondContact O-N 3.23Å
293	I	96.5	Very high	86	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.3	172.8	-55.2	177	0	0	0	108.9	V295 Y313 M314 V317 V327 Y328 A330 V387	I293-V295 HydrophobicContact CG2-CG2 3.63Å; I293-Y313 HydrophobicContact CG2-CD1 3.52Å; I293-Y313 HydrophobicContact CG2-CE1 4.3Å; I293-Y313 HydrophobicContact CG2-CG 3.8Å; I293-M314 HydrophobicContact CD1-SD 3.7Å; I293-V317 HydrophobicContact CD1-CG2 3.4Å; I293-V317 HydrophobicContact CG1-CG2 3.84Å; I293-V327 HydrophobicContact CB-CG1 4.36Å; I293-V327 HydrophobicContact CD1-CG1 3.37Å; I293-V327 HydrophobicContact CG1-CG1 3.68Å; I293-Y328 PolarHBondContact N-O 3.34Å; I293-A330 PolarHBondContact O-N 3.1Å; I293-V387 VanDerWaalsContact CA-O 3.24Å; I293-V387 WeakPolarHBondContact CA-O 3.4Å; I293-V387 HydrophobicContact CG1-CB 4.39Å
294	H	96.7	Very high	84.8	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.032	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.5	170.3	174	-92.5	0	0	0	110	Y313 A330 L380 V387 C388 S392 C395	H294-Y313 WeakPolarHBondContact O-CE1 2.89Å; H294-A330 WeakPolarHBondContact CA-O 3.31Å; H294-L380 HydrophobicContact CB-CD1 3.94Å; H294-L380 HydrophobicContact CB-CD2 4.29Å; H294-V387 PolarHBondContact N-O 3.33Å; H294-V387 VanDerWaalsContact N-O 3.11Å; H294-C388 HydrophobicContact CB-CB 3.89Å; H294-S392 PolarHBondContact CE1-OG 3.33Å; H294-C395 HydrophobicContact CB-CB 4.46Å
295	V	94.1	Very high	83.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.5	179.1	-174.1	0	0	0	0	108.5	I293 R297 L310 Y313 A330 T331 V336	I293-V295 HydrophobicContact CG2-CG2 3.63Å; V295-R297 HydrophobicContact CG1-CG 4.13Å; V295-L310 HydrophobicContact CG2-CD1 4.44Å; V295-Y313 HydrophobicContact CG1-CE2 4.08Å; V295-Y313 HydrophobicContact CG2-CD1 4.45Å; V295-Y313 HydrophobicContact CG2-CD2 4.24Å; V295-Y313 HydrophobicContact CG2-CE1 4.34Å; V295-Y313 HydrophobicContact CG2-CE2 4.16Å; V295-Y313 HydrophobicContact CG2-CG 4.4Å; V295-A330 PolarHBondContact N-O 3.23Å; V295-T331 WeakPolarHBondContact O-CA 3.46Å; V295-T331 PolarHBondContact O-OG1 3.48Å; V295-V336 HydrophobicContact CG1-CG2 4.19Å; V295-V336 HydrophobicContact CG2-CG1 4.24Å
296	R	86.1	Confident	83.3	Confident	36 Å²	36	50.3 Å²	50.3	14%	0.136	27%	0.267	C	S	.	.			trans	-95.5	117.2	175.6	-171.7	60.8	-177.9	168.6	5.8	110.3	D299 K300 D332	R296-D299 IonicContact CZ-OD1 3.76Å; R296-D299 IonicContact NH2-OD1 3.37Å; R296-D299 PolarHBondContact NH2-OD1 3.48Å; R296-D299 IonicContact NH2-OD2 2.85Å; R296-K300 HydrophobicContact CG-CB 4.22Å; R296-K300 HydrophobicContact CG-CG 4.45Å; R296-D332 WeakPolarHBondContact CD-OD2 3.41Å; R296-D332 IonicContact CZ-OD2 3.88Å; R296-D332 IonicContact NE-OD2 3.46Å; R296-D332 PolarHBondContact NE-OD2 3.48Å; R296-D332 IonicContact NH1-OD2 3.76Å; R296-D332 PolarHBondContact NH1-OD2 3.48Å; R296-D332 IonicContact NH2-OD2 3.72Å
297	R	83.2	Confident	83	Confident	20 Å²	20	54.3 Å²	54.3	8%	0.075	28%	0.284	C	S	.	.			trans	-116.5	-132.7	172.9	-66.1	-177.5	176.2	174	3.3	109.8	V295 F307 D332 D333 V336 E339	V295-R297 HydrophobicContact CG1-CG 4.13Å; R297-F307 HydrophobicContact CG-CE2 4.3Å; R297-D332 PolarHBondContact N-OD1 3.46Å; R297-D333 HydrophobicContact CB-CB 4.19Å; R297-D333 WeakPolarHBondContact CD-OD2 3.35Å; R297-D333 HydrophobicContact CG-CB 4.4Å; R297-D333 IonicContact CZ-OD2 3.76Å; R297-D333 IonicContact NE-OD2 3.87Å; R297-D333 IonicContact NH1-OD2 3.88Å; R297-D333 PolarHBondContact NH1-OD2 3.02Å; R297-V336 VanDerWaalsContact CZ-CG2 3.48Å; R297-E339 IonicContact CZ-OE2 3.7Å; R297-E339 IonicContact NH1-OE2 3.72Å; R297-E339 IonicContact NH2-OE2 3.8Å; R297-E339 PolarHBondContact NH2-OE2 3.32Å
298	T	76.1	Confident	82.8	Confident	59 Å²	59	53.7 Å²	53.7	36%	0.362	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	42	-128.6	177.2	77.4	0	0	0	0	115.4	K300 V301 D332	T298-K300 PolarHBondContact O-N 3.31Å; T298-V301 PolarHBondContact O-N 3.34Å; T298-D332 HydrophobicContact CG2-CB 4.25Å; T298-D332 PolarHBondContact OG1-OD2 2.58Å
299	D	69.9	Low	82.9	Confident	48 Å²	48	48.7 Å²	48.7	26%	0.257	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-63.1	-12.5	-167.7	63.6	-57.5	0	0	0	115	R296 T303 L361 R364	R296-D299 IonicContact CZ-OD1 3.76Å; R296-D299 IonicContact NH2-OD1 3.37Å; R296-D299 PolarHBondContact NH2-OD1 3.48Å; R296-D299 IonicContact NH2-OD2 2.85Å; D299-T303 PolarHBondContact O-OG1 3.07Å; D299-L361 HydrophobicContact CB-CD1 3.94Å; D299-L361 HydrophobicContact CB-CD2 4.37Å; D299-L361 HydrophobicContact CB-CG 4.37Å; D299-R364 IonicContact OD1-CZ 2.93Å; D299-R364 IonicContact OD1-NH1 3Å; D299-R364 PolarHBondContact OD1-NH1 3.13Å; D299-R364 IonicContact OD1-NH2 3.63Å; D299-R364 PolarHBondContact OD1-NH2 2.81Å; D299-R364 IonicContact OD2-CZ 3.69Å; D299-R364 IonicContact OD2-NH1 2.84Å; D299-R364 PolarHBondContact OD2-NH1 3.38Å; D299-R364 IonicContact OD2-NH2 2.73Å
300	K	66.5	Low	83.1	Confident	49 Å²	49	45.8 Å²	45.8	21%	0.213	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-97.2	-17.8	-176.1	-61.3	-63.1	178.4	173.8	0	113.4	R296 T298 G302 T303 E304 A305	R296-K300 HydrophobicContact CG-CB 4.22Å; R296-K300 HydrophobicContact CG-CG 4.45Å; T298-K300 PolarHBondContact O-N 3.31Å; K300-G302 PolarHBondContact O-N 3.04Å; K300-T303 WeakPolarHBondContact CA-OG1 3.29Å; K300-T303 PolarHBondContact O-N 3.24Å; K300-T303 PolarHBondContact O-OG1 3.45Å; K300-E304 HydrophobicContact CD-CB 3.98Å; K300-E304 HydrophobicContact CD-CG 4.11Å; K300-E304 VanDerWaalsContact CD-OE2 3.25Å; K300-E304 WeakPolarHBondContact CD-OE2 3.28Å; K300-E304 WeakPolarHBondContact CE-OE2 3.34Å; K300-E304 IonicContact NZ-OE1 3.47Å; K300-E304 PolarHBondContact NZ-OE1 3.15Å; K300-E304 IonicContact NZ-OE2 3.62Å; K300-E304 PolarHBondContact NZ-OE2 2.98Å; K300-E304 PolarHBondContact O-N 3.21Å; K300-E304 VanDerWaalsContact O-N 3.12Å; K300-A305 PolarHBondContact O-N 2.79Å
301	V	72.4	Confident	83.3	Confident	55 Å²	55	52.3 Å²	52.3	33%	0.333	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-68.4	118.3	174.5	177.5	0	0	0	0	108.8	T298 A305 F307	T298-V301 PolarHBondContact O-N 3.34Å; V301-A305 WeakPolarHBondContact CA-O 3.43Å; V301-F307 HydrophobicContact CG1-CB 3.82Å; V301-F307 HydrophobicContact CG2-CB 4.47Å; V301-F307 HydrophobicContact CG2-CD2 4.38Å
302	G	69.7	Low	83.3	Confident	74 Å²	74	56.4 Å²	56.4	76%	0.763	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-8.4	179	0	0	0	0	0	115.3	K300 A305	K300-G302 PolarHBondContact O-N 3.04Å; G302-A305 PolarHBondContact N-O 2.8Å
303	T	74.4	Confident	83.2	Confident	106 Å²	106	56.5 Å²	56.5	65%	0.65	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-55.7	175.2	56.1	0	0	0	0	111.8	D299 K300	D299-T303 PolarHBondContact O-OG1 3.07Å; K300-T303 WeakPolarHBondContact CA-OG1 3.29Å; K300-T303 PolarHBondContact O-N 3.24Å; K300-T303 PolarHBondContact O-OG1 3.45Å
304	E	68.2	Low	83.1	Confident	126 Å²	126	56.5 Å²	56.5	59%	0.589	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-18.4	-175.2	-69.8	178.7	-158.5	0	0	113.2	K300	K300-E304 HydrophobicContact CD-CB 3.98Å; K300-E304 HydrophobicContact CD-CG 4.11Å; K300-E304 VanDerWaalsContact CD-OE2 3.25Å; K300-E304 WeakPolarHBondContact CD-OE2 3.28Å; K300-E304 WeakPolarHBondContact CE-OE2 3.34Å; K300-E304 IonicContact NZ-OE1 3.47Å; K300-E304 PolarHBondContact NZ-OE1 3.15Å; K300-E304 IonicContact NZ-OE2 3.62Å; K300-E304 PolarHBondContact NZ-OE2 2.98Å; K300-E304 PolarHBondContact O-N 3.21Å; K300-E304 VanDerWaalsContact O-N 3.12Å
305	A	71.1	Confident	82.9	Confident	17 Å²	17	59.1 Å²	59.1	14%	0.14	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-147.7	163.2	-179.8	0	0	0	0	0	112.4	K300 V301 G302	K300-A305 PolarHBondContact O-N 2.79Å; V301-A305 WeakPolarHBondContact CA-O 3.43Å; G302-A305 PolarHBondContact N-O 2.8Å
306	R	80.2	Confident	82.7	Confident	208 Å²	208	60.3 Å²	60.3	79%	0.785	32%	0.317	S	S	*	.			trans	-86.4	154.8	171.3	-67.1	-177.9	178.9	-179.3	-0.4	110.2	H308	R306-H308 PolarHBondContact O-CD2 3.08Å; R306-H308 VanDerWaalsContact O-CD2 3.31Å; R306-H308 PolarHBondContact O-N 2.92Å
307	F	86.3	Confident	82.9	Confident	116 Å²	116	58.7 Å²	58.7	51%	0.509	31%	0.311	S	S	.	.			trans	-68.8	129.4	168.1	-178.5	-90.2	0	0	0	109	R297 V301	R297-F307 HydrophobicContact CG-CE2 4.3Å; V301-F307 HydrophobicContact CG1-CB 3.82Å; V301-F307 HydrophobicContact CG2-CB 4.47Å; V301-F307 HydrophobicContact CG2-CD2 4.38Å
308	H	88.2	Confident	83	Confident	20 Å²	20	63 Å²	63	9%	0.093	33%	0.332	C	S	.	.			trans	-118.8	128.1	170.8	-69.1	-84.1	0	0	0	108.8	R306 E312 Y313 L416	R306-H308 PolarHBondContact O-CD2 3.08Å; R306-H308 VanDerWaalsContact O-CD2 3.31Å; R306-H308 PolarHBondContact O-N 2.92Å; H308-E312 WeakPolarHBondContact CA-OE1 3.08Å; H308-E312 IonicContact CE1-OE2 2.92Å; H308-E312 IonicContact CG-OE2 3.33Å; H308-E312 IonicContact ND1-OE1 2.75Å; H308-E312 IonicContact ND1-OE2 2.62Å; H308-E312 PolarHBondContact ND1-OE2 3.27Å; H308-Y313 HydrophobicContact CB-CE2 3.65Å; H308-L416 HydrophobicContact CB-CD1 3.96Å
309	G	91.4	Very high	83.3	Confident	19 Å²	19	66.2 Å²	66.2	20%	0.196	34%	0.341	C	S	.	.			trans	-68.7	154.6	176.6	0	0	0	0	0	111.2	E311 E312 Y313	G309-E311 PolarHBondContact O-N 3.13Å; G309-E312 PolarHBondContact N-OE1 2.91Å; G309-E312 PolarHBondContact O-N 2.83Å; G309-E312 VanDerWaalsContact O-N 3.12Å; G309-Y313 VanDerWaalsContact O-CD2 3.22Å; G309-Y313 WeakPolarHBondContact O-CD2 3.06Å
310	L	93.7	Very high	83.3	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-33.7	177.7	178.4	62	0	0	0	111.8	V295 E312 Y313 M314 V336 E339 A340 Y344	V295-L310 HydrophobicContact CG2-CD1 4.44Å; L310-E312 VanDerWaalsContact C-N 3.29Å; L310-E312 PolarHBondContact O-N 2.77Å; L310-Y313 PolarHBondContact O-N 3.02Å; L310-M314 HydrophobicContact CD1-CG 4.23Å; L310-M314 HydrophobicContact CG-CG 4.15Å; L310-M314 WeakPolarHBondContact O-CG 3.44Å; L310-M314 PolarHBondContact O-N 3.11Å; L310-V336 HydrophobicContact CD1-CG1 4.17Å; L310-E339 WeakPolarHBondContact CB-OE1 3.45Å; L310-E339 HydrophobicContact CD2-CB 4.34Å; L310-E339 HydrophobicContact CD2-CG 4.03Å; L310-A340 VanDerWaalsContact CD2-CA 3.46Å; L310-A340 HydrophobicContact CD2-CB 3.62Å; L310-Y344 HydrophobicContact CD2-CD2 4.43Å; L310-Y344 HydrophobicContact CD2-CE2 4.25Å; L310-Y344 HydrophobicContact CG-CE2 4.35Å
311	E	94.5	Very high	82.8	Confident	137 Å²	137	66.8 Å²	66.8	64%	0.64	35%	0.353	S	S	*	.	H	α-helix	trans	-54.6	-41.5	177.2	-175.4	177.9	-175.7	0	0	113	G309 Y313 M314 V315 Y344	G309-E311 PolarHBondContact O-N 3.13Å; E311-Y313 VanDerWaalsContact C-N 3.32Å; E311-Y313 PolarHBondContact O-N 2.9Å; E311-M314 PolarHBondContact O-N 2.81Å; E311-M314 VanDerWaalsContact O-N 3.15Å; E311-V315 HydrophobicContact CG-CG2 4.49Å; E311-V315 WeakPolarHBondContact O-CG2 3.39Å; E311-V315 PolarHBondContact O-N 3Å; E311-Y344 WeakPolarHBondContact CA-OH 3.43Å
312	E	94.2	Very high	82.2	Confident	87 Å²	87	67.1 Å²	67.1	41%	0.407	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-39.9	179.9	-67.1	175.5	-113.4	0	0	111.9	H308 G309 L310 L416	H308-E312 WeakPolarHBondContact CA-OE1 3.08Å; H308-E312 IonicContact CE1-OE2 2.92Å; H308-E312 IonicContact CG-OE2 3.33Å; H308-E312 IonicContact ND1-OE1 2.75Å; H308-E312 IonicContact ND1-OE2 2.62Å; H308-E312 PolarHBondContact ND1-OE2 3.27Å; G309-E312 PolarHBondContact N-OE1 2.91Å; G309-E312 PolarHBondContact O-N 2.83Å; G309-E312 VanDerWaalsContact O-N 3.12Å; L310-E312 VanDerWaalsContact C-N 3.29Å; L310-E312 PolarHBondContact O-N 2.77Å; E312-L416 HydrophobicContact CB-CD1 3.99Å
313	Y	94.7	Very high	81.5	Confident	1 Å²	1	71.6 Å²	71.6	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-43.9	174.8	-59.4	-96.5	0	0	0	110.7	I293 H294 V295 H308 G309 L310 E311 V315 E316 V317 V387 L416	I293-Y313 HydrophobicContact CG2-CD1 3.52Å; I293-Y313 HydrophobicContact CG2-CE1 4.3Å; I293-Y313 HydrophobicContact CG2-CG 3.8Å; H294-Y313 WeakPolarHBondContact O-CE1 2.89Å; V295-Y313 HydrophobicContact CG1-CE2 4.08Å; V295-Y313 HydrophobicContact CG2-CD1 4.45Å; V295-Y313 HydrophobicContact CG2-CD2 4.24Å; V295-Y313 HydrophobicContact CG2-CE1 4.34Å; V295-Y313 HydrophobicContact CG2-CE2 4.16Å; V295-Y313 HydrophobicContact CG2-CG 4.4Å; H308-Y313 HydrophobicContact CB-CE2 3.65Å; G309-Y313 VanDerWaalsContact O-CD2 3.22Å; G309-Y313 WeakPolarHBondContact O-CD2 3.06Å; L310-Y313 PolarHBondContact O-N 3.02Å; E311-Y313 VanDerWaalsContact C-N 3.32Å; E311-Y313 PolarHBondContact O-N 2.9Å; Y313-V315 PolarHBondContact O-N 2.99Å; Y313-E316 PolarHBondContact O-N 3.47Å; Y313-E316 VanDerWaalsContact O-N 3.13Å; Y313-V317 VanDerWaalsContact O-CG2 3.25Å; Y313-V317 WeakPolarHBondContact O-CG2 3.24Å; Y313-V317 PolarHBondContact O-N 2.77Å; Y313-V387 HydrophobicContact CD1-CG1 4.08Å; Y313-L416 HydrophobicContact CD1-CD1 3.63Å; Y313-L416 HydrophobicContact CD1-CG 4.36Å; Y313-L416 HydrophobicContact CD2-CD1 3.84Å; Y313-L416 HydrophobicContact CE1-CD1 3.55Å; Y313-L416 HydrophobicContact CE1-CG 4.34Å; Y313-L416 HydrophobicContact CE2-CD1 3.76Å; Y313-L416 HydrophobicContact CG-CD1 3.78Å
314	M	94.2	Very high	81.1	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-31.9	-176	-70.6	-58.8	-57.8	0	0	113.2	I293 L310 E311 E316 V317 E318 Y344 Y347 F349	I293-M314 HydrophobicContact CD1-SD 3.7Å; L310-M314 HydrophobicContact CD1-CG 4.23Å; L310-M314 HydrophobicContact CG-CG 4.15Å; L310-M314 WeakPolarHBondContact O-CG 3.44Å; L310-M314 PolarHBondContact O-N 3.11Å; E311-M314 PolarHBondContact O-N 2.81Å; E311-M314 VanDerWaalsContact O-N 3.15Å; M314-E316 PolarHBondContact O-N 2.88Å; M314-V317 HydrophobicContact CE-CB 4.34Å; M314-V317 HydrophobicContact CE-CG1 4.16Å; M314-V317 WeakPolarHBondContact O-CB 3.17Å; M314-V317 PolarHBondContact O-N 2.88Å; M314-V317 HydrophobicContact SD-CB 4.29Å; M314-V317 HydrophobicContact SD-CG1 4.46Å; M314-V317 HydrophobicContact SD-CG2 4.09Å; M314-E318 WeakPolarHBondContact O-CB 3.42Å; M314-E318 WeakPolarHBondContact O-CG 3.34Å; M314-E318 PolarHBondContact O-N 2.87Å; M314-Y344 HydrophobicContact CB-CD1 4.43Å; M314-Y344 HydrophobicContact CB-CE1 3.72Å; M314-Y344 HydrophobicContact CB-CE2 4Å; M314-Y344 VanDerWaalsContact CB-CZ 3.49Å; M314-Y344 HydrophobicContact CE-CD1 3.93Å; M314-Y344 HydrophobicContact CE-CD2 4.42Å; M314-Y344 HydrophobicContact CE-CE1 4.32Å; M314-Y344 HydrophobicContact CE-CG 4Å; M314-Y344 HydrophobicContact CG-CD1 4.42Å; M314-Y344 HydrophobicContact CG-CD2 3.96Å; M314-Y344 HydrophobicContact CG-CE1 4.06Å; M314-Y344 HydrophobicContact CG-CE2 3.57Å; M314-Y344 HydrophobicContact CG-CG 4.39Å; M314-Y347 HydrophobicContact CE-CD1 4.02Å; M314-Y347 HydrophobicContact CE-CD2 4.05Å; M314-Y347 HydrophobicContact CE-CE1 3.88Å; M314-Y347 HydrophobicContact CE-CE2 3.9Å; M314-Y347 HydrophobicContact CE-CG 4.09Å; M314-F349 HydrophobicContact CE-CE1 4.38Å; M314-F349 HydrophobicContact CE-CZ 4.2Å; M314-F349 HydrophobicContact SD-CE1 4.07Å; M314-F349 HydrophobicContact SD-CZ 4.31Å
315	V	91.2	Very high	81.8	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.376	34%	0.341	S	S	.	.	H	α-helix	trans	-57.3	-37.7	170.7	165.7	0	0	0	0	111.3	E311 Y313 K319	E311-V315 HydrophobicContact CG-CG2 4.49Å; E311-V315 WeakPolarHBondContact O-CG2 3.39Å; E311-V315 PolarHBondContact O-N 3Å; Y313-V315 PolarHBondContact O-N 2.99Å; V315-K319 WeakPolarHBondContact O-CG 3.46Å
316	E	90	Very high	82.8	Confident	26 Å²	26	70.6 Å²	70.6	12%	0.121	35%	0.346	C	S	.	.	H	α-helix	trans	-79.2	-32.8	177.8	-60	-64.1	173.6	0	0	112.4	Y313 M314 K319 V387 R414 L416	Y313-E316 PolarHBondContact O-N 3.47Å; Y313-E316 VanDerWaalsContact O-N 3.13Å; M314-E316 PolarHBondContact O-N 2.88Å; E316-K319 PolarHBondContact O-N 3.25Å; E316-K319 IonicContact OE1-NZ 3.5Å; E316-K319 PolarHBondContact OE1-NZ 3Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 WeakPolarHBondContact OE2-CE 3.46Å; E316-K319 IonicContact OE2-NZ 3.67Å; E316-K319 PolarHBondContact OE2-NZ 3.39Å; E316-V387 HydrophobicContact CB-CG1 3.84Å; E316-V387 HydrophobicContact CB-CG2 4.21Å; E316-V387 HydrophobicContact CG-CG1 4.44Å; E316-R414 HydrophobicContact CB-CB 4.43Å; E316-R414 HydrophobicContact CB-CG 3.88Å; E316-R414 VanDerWaalsContact CD-NE 3.28Å; E316-R414 HydrophobicContact CG-CG 3.59Å; E316-R414 IonicContact OE1-CZ 3.11Å; E316-R414 IonicContact OE1-NE 3.03Å; E316-R414 PolarHBondContact OE1-NE 3.34Å; E316-R414 VanDerWaalsContact OE1-NE 3.11Å; E316-R414 IonicContact OE1-NH2 2.82Å; E316-R414 PolarHBondContact OE1-NH2 3.43Å; E316-R414 IonicContact OE2-NE 2.96Å; E316-R414 PolarHBondContact OE2-NE 3.36Å; E316-L416 HydrophobicContact CG-CD2 4.07Å
317	V	89.6	Confident	83.5	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-43.6	172.7	175.4	0	0	0	0	110.7	V291 I293 Y313 M314 K319 C320 V327 Y347 V387	V291-V317 HydrophobicContact CB-CG1 4.29Å; V291-V317 HydrophobicContact CG1-CG1 4.36Å; V291-V317 HydrophobicContact CG1-CG2 3.95Å; V291-V317 HydrophobicContact CG2-CG1 4.32Å; I293-V317 HydrophobicContact CD1-CG2 3.4Å; I293-V317 HydrophobicContact CG1-CG2 3.84Å; Y313-V317 VanDerWaalsContact O-CG2 3.25Å; Y313-V317 WeakPolarHBondContact O-CG2 3.24Å; Y313-V317 PolarHBondContact O-N 2.77Å; M314-V317 HydrophobicContact CE-CB 4.34Å; M314-V317 HydrophobicContact CE-CG1 4.16Å; M314-V317 WeakPolarHBondContact O-CB 3.17Å; M314-V317 PolarHBondContact O-N 2.88Å; M314-V317 HydrophobicContact SD-CB 4.29Å; M314-V317 HydrophobicContact SD-CG1 4.46Å; M314-V317 HydrophobicContact SD-CG2 4.09Å; V317-K319 VanDerWaalsContact C-N 3.26Å; V317-K319 PolarHBondContact O-N 3.3Å; V317-C320 VanDerWaalsContact O-CB 3.28Å; V317-C320 WeakPolarHBondContact O-CB 3.33Å; V317-C320 PolarHBondContact O-N 3.29Å; V317-C320 VanDerWaalsContact O-N 3.11Å; V317-V327 HydrophobicContact CG1-CG2 3.88Å; V317-Y347 HydrophobicContact CG1-CE1 3.94Å; V317-V387 HydrophobicContact CG2-CG2 4.06Å
318	E	87.3	Confident	84	Confident	111 Å²	111	55.2 Å²	55.2	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-25	-179.7	-78.7	178.7	173.7	0	0	113.6	M314 C320 Y347	M314-E318 WeakPolarHBondContact O-CB 3.42Å; M314-E318 WeakPolarHBondContact O-CG 3.34Å; M314-E318 PolarHBondContact O-N 2.87Å; E318-C320 VanDerWaalsContact C-N 3.26Å; E318-C320 PolarHBondContact O-N 3.39Å; E318-Y347 WeakPolarHBondContact CG-OH 3.42Å
319	K	80.6	Confident	84.4	Confident	125 Å²	125	54.2 Å²	54.2	54%	0.543	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.9	174.4	-68.5	172.9	-158.3	166.7	0	113.1	V315 E316 V317 P321	V315-K319 WeakPolarHBondContact O-CG 3.46Å; E316-K319 PolarHBondContact O-N 3.25Å; E316-K319 IonicContact OE1-NZ 3.5Å; E316-K319 PolarHBondContact OE1-NZ 3Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 WeakPolarHBondContact OE2-CE 3.46Å; E316-K319 IonicContact OE2-NZ 3.67Å; E316-K319 PolarHBondContact OE2-NZ 3.39Å; V317-K319 VanDerWaalsContact C-N 3.26Å; V317-K319 PolarHBondContact O-N 3.3Å; K319-P321 WeakPolarHBondContact O-CD 3.35Å
320	C	70.1	Confident	84.6	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.088	27%	0.27	C	S	.	.	S	Bend	trans	-69.6	123.4	-178.7	-73.7	0	0	0	0	111	V291 V317 E318 K324 F385	V291-C320 HydrophobicContact CG2-CB 4.47Å; V317-C320 VanDerWaalsContact O-CB 3.28Å; V317-C320 WeakPolarHBondContact O-CB 3.33Å; V317-C320 PolarHBondContact O-N 3.29Å; V317-C320 VanDerWaalsContact O-N 3.11Å; E318-C320 VanDerWaalsContact C-N 3.26Å; E318-C320 PolarHBondContact O-N 3.39Å; C320-K324 HydrophobicContact CB-CD 3.89Å; C320-F385 VanDerWaalsContact SG-CD1 3.54Å
321	P	56.4	Low	84.6	Confident	97 Å²	97	53.5 Å²	53.5	63%	0.63	27%	0.272	S	S	*	.	S	Bend	trans	-64.7	144.5	-178.3	23.8	-32.1	0	0	0	112.7	K319 K324	K319-P321 WeakPolarHBondContact O-CD 3.35Å; P321-K324 VanDerWaalsContact O-CE 3.29Å; P321-K324 WeakPolarHBondContact O-CE 3.45Å
322	G	60.9	Low	84.3	Confident	62 Å²	62	47.3 Å²	47.3	64%	0.639	24%	0.243	S	C	*	.	S	Bend	trans	104.2	156.3	-175.8	0	0	0	0	0	112.5	K324	G322-K324 PolarHBondContact O-N 2.9Å
323	Q	55.2	Low	84	Confident	168 Å²	168	44.9 Å²	44.9	79%	0.785	23%	0.232	S	C	*	.			trans	-70	65.5	172.2	-74.3	-178.4	-4.1	0	0	110.2	R325	Q323-R325 PolarHBondContact O-N 3.48Å
324	K	64.4	Low	83.7	Confident	30 Å²	30	47.6 Å²	47.6	13%	0.13	25%	0.25	C	S	.	.			trans	-79.7	92	178.4	-62.1	-164.8	-171.2	179	0	108.3	P289 V291 C320 P321 G322 Y347	P289-K324 HydrophobicContact CB-CD 4.38Å; P289-K324 HydrophobicContact CB-CG 4.11Å; P289-K324 HydrophobicContact CG-CG 4.16Å; V291-K324 HydrophobicContact CG2-CB 4.43Å; V291-K324 HydrophobicContact CG2-CD 3.53Å; C320-K324 HydrophobicContact CB-CD 3.89Å; P321-K324 VanDerWaalsContact O-CE 3.29Å; P321-K324 WeakPolarHBondContact O-CE 3.45Å; G322-K324 PolarHBondContact O-N 2.9Å; K324-Y347 WeakPolarHBondContact O-CE1 3.07Å
325	R	83.3	Confident	83.6	Confident	142 Å²	142	50 Å²	50	54%	0.536	27%	0.268	S	S	.	.			trans	-94.7	-8.6	173.1	-64.4	-177.3	-177.6	-171.2	1.2	112.4	Q323 N346 Y347 T348	Q323-R325 PolarHBondContact O-N 3.48Å; R325-N346 WeakPolarHBondContact CD-O 3.37Å; R325-Y347 CarbonylContact O-C 3.6Å; R325-Y347 VanDerWaalsContact O-CA 3.27Å; R325-Y347 WeakPolarHBondContact O-CA 3.5Å; R325-Y347 WeakPolarHBondContact O-CD1 3.49Å; R325-T348 PolarHBondContact O-N 3.31Å
326	K	92.7	Very high	83.7	Confident	56 Å²	56	47.1 Å²	47.1	24%	0.243	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	-178.6	-61	-171	-177.3	-170.3	0	110.8	S287 I290 V291 T348	S287-K326 PolarHBondContact OG-NZ 3.25Å; I290-K326 HydrophobicContact CB-CB 4.38Å; I290-K326 HydrophobicContact CD1-CB 4.35Å; I290-K326 HydrophobicContact CG1-CB 4.1Å; V291-K326 PolarHBondContact N-O 3.29Å; K326-T348 WeakPolarHBondContact CA-O 3.18Å
327	V	94.9	Very high	83.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.3	179	173.9	0	0	0	0	108.9	V291 I293 V317 I329 Y347 T348 F349 I350	V291-V327 CarbonylContact O-C 3.59Å; V291-V327 VanDerWaalsContact O-CA 3.26Å; V291-V327 WeakPolarHBondContact O-CA 3.14Å; I293-V327 HydrophobicContact CB-CG1 4.36Å; I293-V327 HydrophobicContact CD1-CG1 3.37Å; I293-V327 HydrophobicContact CG1-CG1 3.68Å; V317-V327 HydrophobicContact CG1-CG2 3.88Å; V327-I329 HydrophobicContact CG1-CG1 3.98Å; V327-Y347 HydrophobicContact CG2-CD1 3.75Å; V327-Y347 HydrophobicContact CG2-CE1 4.18Å; V327-T348 PolarHBondContact N-O 2.8Å; V327-F349 HydrophobicContact CB-CD1 3.7Å; V327-F349 HydrophobicContact CB-CE1 3.82Å; V327-F349 HydrophobicContact CG1-CD1 3.87Å; V327-F349 HydrophobicContact CG1-CE1 3.94Å; V327-F349 HydrophobicContact CG2-CE1 4.19Å; V327-F349 CarbonylContact O-C 3.59Å; V327-F349 WeakPolarHBondContact O-CA 3.2Å; V327-I350 PolarHBondContact O-N 3.36Å
328	Y	96.2	Very high	84	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.6	167.9	-175.5	-95	0	0	0	109.2	Y284 F286 V291 G292 I293 A330 I350 D376 F379 L380	Y284-Y328 HydrophobicContact CD2-CE2 4.15Å; Y284-Y328 AromaticContact CE2-CE2 3.97Å; Y284-Y328 HydrophobicContact CE2-CE2 3.97Å; F286-Y328 HydrophobicContact CD2-CD2 4.49Å; F286-Y328 HydrophobicContact CE2-CD2 4.28Å; V291-Y328 PolarHBondContact O-N 2.89Å; G292-Y328 CarbonylContact C-O 3.22Å; I293-Y328 PolarHBondContact N-O 3.34Å; Y328-A330 HydrophobicContact CE1-CB 4.21Å; Y328-I350 CarbonylContact C-O 3.44Å; Y328-I350 WeakPolarHBondContact CA-O 3.48Å; Y328-I350 HydrophobicContact CD2-CB 4.26Å; Y328-I350 HydrophobicContact CD2-CG2 3.89Å; Y328-I350 HydrophobicContact CE2-CG2 4.37Å; Y328-D376 WeakPolarHBondContact OH-CA 3.42Å; Y328-D376 PolarHBondContact OH-OD1 2.96Å; Y328-F379 HydrophobicContact CD1-CB 3.94Å; Y328-F379 HydrophobicContact CD2-CB 3.76Å; Y328-F379 HydrophobicContact CD2-CG 4.35Å; Y328-F379 HydrophobicContact CE1-CB 3.6Å; Y328-F379 HydrophobicContact CE2-CB 3.44Å; Y328-F379 VanDerWaalsContact CE2-CB 3.44Å; Y328-F379 AromaticContact CE2-CD2 3.91Å; Y328-F379 HydrophobicContact CE2-CD2 3.91Å; Y328-F379 AromaticContact CE2-CG 3.82Å; Y328-F379 HydrophobicContact CE2-CG 3.82Å; Y328-F379 HydrophobicContact CG-CB 4Å; Y328-F379 AromaticContact CZ-CD2 3.98Å; Y328-L380 HydrophobicContact CD1-CD2 3.91Å; Y328-L380 HydrophobicContact CD1-CG 4.12Å; Y328-L380 HydrophobicContact CE1-CD2 4.37Å; Y328-L380 HydrophobicContact CE1-CG 4.14Å
329	I	96.5	Very high	84.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.1	177.6	-60.6	-179.6	0	0	0	109.2	V327 T331 V336 F337 A340 F349 I350	V327-I329 HydrophobicContact CG1-CG1 3.98Å; I329-T331 HydrophobicContact CG2-CG2 3.92Å; I329-V336 HydrophobicContact CD1-CG1 4.39Å; I329-V336 HydrophobicContact CG2-CG1 4.03Å; I329-F337 HydrophobicContact CB-CE1 3.85Å; I329-F337 HydrophobicContact CB-CZ 4.14Å; I329-F337 HydrophobicContact CG2-CE1 4.2Å; I329-F337 HydrophobicContact CG2-CZ 4.12Å; I329-A340 HydrophobicContact CD1-CB 3.8Å; I329-F349 HydrophobicContact CD1-CB 4.15Å; I329-F349 HydrophobicContact CD1-CD1 3.35Å; I329-F349 HydrophobicContact CD1-CE1 3.98Å; I329-F349 HydrophobicContact CD1-CG 3.96Å; I329-F349 HydrophobicContact CG1-CD1 3.92Å; I329-I350 PolarHBondContact N-O 3.12Å
330	A	96.1	Very high	85	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.1	161	0	0	0	0	0	108.8	I293 H294 V295 Y328 D376 L380	I293-A330 PolarHBondContact O-N 3.1Å; H294-A330 WeakPolarHBondContact CA-O 3.31Å; V295-A330 PolarHBondContact N-O 3.23Å; Y328-A330 HydrophobicContact CE1-CB 4.21Å; A330-D376 HydrophobicContact CB-CB 3.8Å; A330-L380 HydrophobicContact CB-CD1 3.7Å; A330-L380 HydrophobicContact CB-CD2 4.11Å; A330-L380 HydrophobicContact CB-CG 4.02Å
331	T	93.4	Very high	86.2	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148	-174.7	-179.9	0	0	0	0	110.1	V295 I329 D333 V336 F337 A356	V295-T331 WeakPolarHBondContact O-CA 3.46Å; V295-T331 PolarHBondContact O-OG1 3.48Å; I329-T331 HydrophobicContact CG2-CG2 3.92Å; T331-D333 VanDerWaalsContact C-N 3.32Å; T331-D333 WeakPolarHBondContact CG2-O 3.13Å; T331-D333 PolarHBondContact OG1-N 3.29Å; T331-D333 PolarHBondContact OG1-O 3.01Å; T331-V336 HydrophobicContact CG2-CB 4.18Å; T331-F337 HydrophobicContact CG2-CD2 4.1Å; T331-F337 HydrophobicContact CG2-CE2 3.54Å; T331-F337 HydrophobicContact CG2-CZ 4.22Å; T331-A356 HydrophobicContact CG2-CB 3.91Å; T331-A356 VanDerWaalsContact O-CA 3.25Å; T331-A356 WeakPolarHBondContact O-CA 3.25Å; T331-A356 WeakPolarHBondContact O-CB 3.49Å
332	D	88.4	Confident	88	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.037	26%	0.259	C	S	.	.	S	Bend	trans	-92.2	3.5	167.8	60.4	-18.5	0	0	0	112.8	R296 R297 T298 A359	R296-D332 WeakPolarHBondContact CD-OD2 3.41Å; R296-D332 IonicContact CZ-OD2 3.88Å; R296-D332 IonicContact NE-OD2 3.46Å; R296-D332 PolarHBondContact NE-OD2 3.48Å; R296-D332 IonicContact NH1-OD2 3.76Å; R296-D332 PolarHBondContact NH1-OD2 3.48Å; R296-D332 IonicContact NH2-OD2 3.72Å; R297-D332 PolarHBondContact N-OD1 3.46Å; T298-D332 HydrophobicContact CG2-CB 4.25Å; T298-D332 PolarHBondContact OG1-OD2 2.58Å; D332-A359 HydrophobicContact CB-CB 4.1Å
333	D	88.8	Confident	89.7	Confident	35 Å²	35	52.2 Å²	52.2	19%	0.187	25%	0.247	C	C	.	.			trans	-120.8	108.3	175	-179.1	-8.7	0	0	0	110.3	R297 T331 S335 V336	R297-D333 HydrophobicContact CB-CB 4.19Å; R297-D333 WeakPolarHBondContact CD-OD2 3.35Å; R297-D333 HydrophobicContact CG-CB 4.4Å; R297-D333 IonicContact CZ-OD2 3.76Å; R297-D333 IonicContact NE-OD2 3.87Å; R297-D333 IonicContact NH1-OD2 3.88Å; R297-D333 PolarHBondContact NH1-OD2 3.02Å; T331-D333 VanDerWaalsContact C-N 3.32Å; T331-D333 WeakPolarHBondContact CG2-O 3.13Å; T331-D333 PolarHBondContact OG1-N 3.29Å; T331-D333 PolarHBondContact OG1-O 3.01Å; D333-S335 PolarHBondContact O-N 2.88Å; D333-S335 VanDerWaalsContact OD1-CB 3.25Å; D333-S335 WeakPolarHBondContact OD1-CB 3.28Å; D333-S335 PolarHBondContact OD1-N 3.41Å; D333-S335 PolarHBondContact OD1-OG 3.48Å; D333-S335 PolarHBondContact OD2-OG 3.37Å; D333-S335 VanDerWaalsContact OD2-OG 3.11Å; D333-V336 HydrophobicContact CB-CG2 4.11Å; D333-V336 WeakPolarHBondContact O-CB 3.47Å; D333-V336 WeakPolarHBondContact O-CG2 3.33Å; D333-V336 PolarHBondContact O-N 3.18Å
334	P	88.5	Confident	91.6	Very high	58 Å²	58	45.8 Å²	45.8	38%	0.377	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.8	-177.8	27	-34.3	0	0	0	113.5	V336 F337 A356	P334-V336 PolarHBondContact O-N 3.45Å; P334-F337 PolarHBondContact O-N 2.88Å; P334-A356 HydrophobicContact CB-CB 4.15Å
335	S	90.8	Very high	93	Very high	52 Å²	52	49 Å²	49	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-21.1	178	73.5	0	0	0	0	113	D333 F337 S338 E339	D333-S335 PolarHBondContact O-N 2.88Å; D333-S335 VanDerWaalsContact OD1-CB 3.25Å; D333-S335 WeakPolarHBondContact OD1-CB 3.28Å; D333-S335 PolarHBondContact OD1-N 3.41Å; D333-S335 PolarHBondContact OD1-OG 3.48Å; D333-S335 PolarHBondContact OD2-OG 3.37Å; D333-S335 VanDerWaalsContact OD2-OG 3.11Å; S335-F337 PolarHBondContact O-N 3.23Å; S335-S338 PolarHBondContact O-N 2.89Å; S335-S338 PolarHBondContact O-OG 2.94Å; S335-E339 WeakPolarHBondContact O-CB 3.34Å; S335-E339 PolarHBondContact O-N 2.92Å
336	V	93.1	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-34.2	177	175.9	0	0	0	0	111.4	V295 R297 L310 I329 T331 D333 P334 E339 A340	V295-V336 HydrophobicContact CG1-CG2 4.19Å; V295-V336 HydrophobicContact CG2-CG1 4.24Å; R297-V336 VanDerWaalsContact CZ-CG2 3.48Å; L310-V336 HydrophobicContact CD1-CG1 4.17Å; I329-V336 HydrophobicContact CD1-CG1 4.39Å; I329-V336 HydrophobicContact CG2-CG1 4.03Å; T331-V336 HydrophobicContact CG2-CB 4.18Å; D333-V336 HydrophobicContact CB-CG2 4.11Å; D333-V336 WeakPolarHBondContact O-CB 3.47Å; D333-V336 WeakPolarHBondContact O-CG2 3.33Å; D333-V336 PolarHBondContact O-N 3.18Å; P334-V336 PolarHBondContact O-N 3.45Å; V336-E339 PolarHBondContact O-N 3.44Å; V336-A340 WeakPolarHBondContact O-CB 3.29Å; V336-A340 PolarHBondContact O-N 3.31Å
337	F	93.2	Very high	93.4	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-40.5	179.1	-72.2	-80.1	0	0	0	112.7	I329 T331 P334 S335 R341 A356	I329-F337 HydrophobicContact CB-CE1 3.85Å; I329-F337 HydrophobicContact CB-CZ 4.14Å; I329-F337 HydrophobicContact CG2-CE1 4.2Å; I329-F337 HydrophobicContact CG2-CZ 4.12Å; T331-F337 HydrophobicContact CG2-CD2 4.1Å; T331-F337 HydrophobicContact CG2-CE2 3.54Å; T331-F337 HydrophobicContact CG2-CZ 4.22Å; P334-F337 PolarHBondContact O-N 2.88Å; S335-F337 PolarHBondContact O-N 3.23Å; F337-R341 VanDerWaalsContact O-CG 3.32Å; F337-R341 WeakPolarHBondContact O-CG 3.47Å; F337-R341 PolarHBondContact O-N 3.44Å; F337-A356 HydrophobicContact CE2-CB 4.11Å
338	S	93.1	Very high	93.3	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	27%	0.265	S	S	.	.	H	α-helix	trans	-73.8	-37.8	177.2	56.8	0	0	0	0	111.4	S335 R342	S335-S338 PolarHBondContact O-N 2.89Å; S335-S338 PolarHBondContact O-OG 2.94Å; S338-R342 VanDerWaalsContact O-CB 3.29Å; S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 PolarHBondContact O-N 2.7Å; S338-R342 VanDerWaalsContact O-N 3.14Å
339	E	94.7	Very high	93.2	Very high	54 Å²	54	51.9 Å²	51.9	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-48.1	171.9	-172.5	-173.9	168.1	0	0	111.7	R297 L310 S335 V336 R342 T343	R297-E339 IonicContact CZ-OE2 3.7Å; R297-E339 IonicContact NH1-OE2 3.72Å; R297-E339 IonicContact NH2-OE2 3.8Å; R297-E339 PolarHBondContact NH2-OE2 3.32Å; L310-E339 WeakPolarHBondContact CB-OE1 3.45Å; L310-E339 HydrophobicContact CD2-CB 4.34Å; L310-E339 HydrophobicContact CD2-CG 4.03Å; S335-E339 WeakPolarHBondContact O-CB 3.34Å; S335-E339 PolarHBondContact O-N 2.92Å; V336-E339 PolarHBondContact O-N 3.44Å; E339-R342 PolarHBondContact O-N 2.87Å; E339-T343 VanDerWaalsContact O-CB 3.3Å; E339-T343 WeakPolarHBondContact O-CB 3.44Å; E339-T343 PolarHBondContact O-N 3.26Å; E339-T343 PolarHBondContact O-OG1 3.37Å
340	A	94.8	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-51.5	-178.6	0	0	0	0	0	112.2	L310 I329 V336 R342 T343 Y344 F349	L310-A340 VanDerWaalsContact CD2-CA 3.46Å; L310-A340 HydrophobicContact CD2-CB 3.62Å; I329-A340 HydrophobicContact CD1-CB 3.8Å; V336-A340 WeakPolarHBondContact O-CB 3.29Å; V336-A340 PolarHBondContact O-N 3.31Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.49Å; A340-T343 PolarHBondContact O-N 2.72Å; A340-Y344 PolarHBondContact O-N 3.39Å; A340-F349 VanDerWaalsContact C-CE2 3.42Å; A340-F349 HydrophobicContact CB-CD1 3.97Å; A340-F349 HydrophobicContact CB-CD2 3.77Å; A340-F349 HydrophobicContact CB-CE1 3.87Å; A340-F349 HydrophobicContact CB-CE2 3.69Å; A340-F349 HydrophobicContact CB-CG 3.91Å; A340-F349 HydrophobicContact CB-CZ 3.73Å; A340-F349 VanDerWaalsContact O-CE2 3.22Å; A340-F349 WeakPolarHBondContact O-CE2 3.18Å
341	R	94.4	Very high	92.8	Very high	152 Å²	152	53.1 Å²	53.1	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-62.7	-34.9	-179.6	-70.4	173.7	-174.9	165.4	3.2	112.7	F337 F349	F337-R341 VanDerWaalsContact O-CG 3.32Å; F337-R341 WeakPolarHBondContact O-CG 3.47Å; F337-R341 PolarHBondContact O-N 3.44Å; R341-F349 HydrophobicContact CG-CD2 4.17Å
342	R	95.9	Very high	92.4	Very high	189 Å²	189	53.9 Å²	53.9	71%	0.713	28%	0.284	S	S	*	.	H	α-helix	trans	-74	-43.3	178.6	-177.4	177.8	60.2	78.8	4	112.3	S338 E339 A340	S338-R342 VanDerWaalsContact O-CB 3.29Å; S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 PolarHBondContact O-N 2.7Å; S338-R342 VanDerWaalsContact O-N 3.14Å; E339-R342 PolarHBondContact O-N 2.87Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.49Å
343	T	95.8	Very high	92	Very high	63 Å²	63	56.4 Å²	56.4	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-84.3	-31.6	-171.7	-48.3	0	0	0	0	112.1	E339 A340 P345	E339-T343 VanDerWaalsContact O-CB 3.3Å; E339-T343 WeakPolarHBondContact O-CB 3.44Å; E339-T343 PolarHBondContact O-N 3.26Å; E339-T343 PolarHBondContact O-OG1 3.37Å; A340-T343 PolarHBondContact O-N 2.72Å; T343-P345 VanDerWaalsContact C-CD 3.43Å; T343-P345 WeakPolarHBondContact O-CD 3.25Å
344	Y	94.5	Very high	91.6	Very high	32 Å²	32	58.9 Å²	58.9	13%	0.125	32%	0.315	C	S	.	.			trans	-125	63.5	-175.7	-58.7	-84	0	0	0	111.5	L310 E311 M314 A340 N346 Y347 F349	L310-Y344 HydrophobicContact CD2-CD2 4.43Å; L310-Y344 HydrophobicContact CD2-CE2 4.25Å; L310-Y344 HydrophobicContact CG-CE2 4.35Å; E311-Y344 WeakPolarHBondContact CA-OH 3.43Å; M314-Y344 HydrophobicContact CB-CD1 4.43Å; M314-Y344 HydrophobicContact CB-CE1 3.72Å; M314-Y344 HydrophobicContact CB-CE2 4Å; M314-Y344 VanDerWaalsContact CB-CZ 3.49Å; M314-Y344 HydrophobicContact CE-CD1 3.93Å; M314-Y344 HydrophobicContact CE-CD2 4.42Å; M314-Y344 HydrophobicContact CE-CE1 4.32Å; M314-Y344 HydrophobicContact CE-CG 4Å; M314-Y344 HydrophobicContact CG-CD1 4.42Å; M314-Y344 HydrophobicContact CG-CD2 3.96Å; M314-Y344 HydrophobicContact CG-CE1 4.06Å; M314-Y344 HydrophobicContact CG-CE2 3.57Å; M314-Y344 HydrophobicContact CG-CG 4.39Å; A340-Y344 PolarHBondContact O-N 3.39Å; Y344-N346 PolarHBondContact O-N 3.45Å; Y344-Y347 PolarHBondContact O-N 3.2Å; Y344-F349 HydrophobicContact CD2-CZ 4.39Å; Y344-F349 HydrophobicContact CG-CZ 4.35Å
345	P	93.4	Very high	91.2	Very high	99 Å²	99	57 Å²	57	64%	0.643	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.2	-173.9	27	-36.4	0	0	0	114.1	T343 Y347	T343-P345 VanDerWaalsContact C-CD 3.43Å; T343-P345 WeakPolarHBondContact O-CD 3.25Å; P345-Y347 PolarHBondContact O-N 2.98Å
346	N	91.8	Very high	90.4	Very high	121 Å²	121	54.7 Å²	54.7	65%	0.647	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.4	176.3	-67.1	-32.6	0	0	0	113.6	R325 Y344	R325-N346 WeakPolarHBondContact CD-O 3.37Å; Y344-N346 PolarHBondContact O-N 3.45Å
347	Y	93.3	Very high	89.8	Confident	43 Å²	43	61.7 Å²	61.7	17%	0.169	31%	0.313	C	S	.	.	S	Bend	trans	-106.9	142.6	178.6	-75.5	-99.7	0	0	0	111.7	M314 V317 E318 K324 R325 V327 Y344 P345 F349	M314-Y347 HydrophobicContact CE-CD1 4.02Å; M314-Y347 HydrophobicContact CE-CD2 4.05Å; M314-Y347 HydrophobicContact CE-CE1 3.88Å; M314-Y347 HydrophobicContact CE-CE2 3.9Å; M314-Y347 HydrophobicContact CE-CG 4.09Å; V317-Y347 HydrophobicContact CG1-CE1 3.94Å; E318-Y347 WeakPolarHBondContact CG-OH 3.42Å; K324-Y347 WeakPolarHBondContact O-CE1 3.07Å; R325-Y347 CarbonylContact O-C 3.6Å; R325-Y347 VanDerWaalsContact O-CA 3.27Å; R325-Y347 WeakPolarHBondContact O-CA 3.5Å; R325-Y347 WeakPolarHBondContact O-CD1 3.49Å; V327-Y347 HydrophobicContact CG2-CD1 3.75Å; V327-Y347 HydrophobicContact CG2-CE1 4.18Å; Y344-Y347 PolarHBondContact O-N 3.2Å; P345-Y347 PolarHBondContact O-N 2.98Å; Y347-F349 HydrophobicContact CG-CZ 4.3Å
348	T	93.5	Very high	89	Confident	77 Å²	77	62.6 Å²	62.6	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.3	167.5	-52.5	0	0	0	0	109.1	R325 K326 V327 I350	R325-T348 PolarHBondContact O-N 3.31Å; K326-T348 WeakPolarHBondContact CA-O 3.18Å; V327-T348 PolarHBondContact N-O 2.8Å; T348-I350 HydrophobicContact CG2-CG1 4.42Å
349	F	94.4	Very high	87.8	Confident	16 Å²	16	59.8 Å²	59.8	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.6	175.6	-63.5	-74.6	0	0	0	111.3	M314 V327 I329 A340 R341 Y344 Y347	M314-F349 HydrophobicContact CE-CE1 4.38Å; M314-F349 HydrophobicContact CE-CZ 4.2Å; M314-F349 HydrophobicContact SD-CE1 4.07Å; M314-F349 HydrophobicContact SD-CZ 4.31Å; V327-F349 HydrophobicContact CB-CD1 3.7Å; V327-F349 HydrophobicContact CB-CE1 3.82Å; V327-F349 HydrophobicContact CG1-CD1 3.87Å; V327-F349 HydrophobicContact CG1-CE1 3.94Å; V327-F349 HydrophobicContact CG2-CE1 4.19Å; V327-F349 CarbonylContact O-C 3.59Å; V327-F349 WeakPolarHBondContact O-CA 3.2Å; I329-F349 HydrophobicContact CD1-CB 4.15Å; I329-F349 HydrophobicContact CD1-CD1 3.35Å; I329-F349 HydrophobicContact CD1-CE1 3.98Å; I329-F349 HydrophobicContact CD1-CG 3.96Å; I329-F349 HydrophobicContact CG1-CD1 3.92Å; A340-F349 VanDerWaalsContact C-CE2 3.42Å; A340-F349 HydrophobicContact CB-CD1 3.97Å; A340-F349 HydrophobicContact CB-CD2 3.77Å; A340-F349 HydrophobicContact CB-CE1 3.87Å; A340-F349 HydrophobicContact CB-CE2 3.69Å; A340-F349 HydrophobicContact CB-CG 3.91Å; A340-F349 HydrophobicContact CB-CZ 3.73Å; A340-F349 VanDerWaalsContact O-CE2 3.22Å; A340-F349 WeakPolarHBondContact O-CE2 3.18Å; R341-F349 HydrophobicContact CG-CD2 4.17Å; Y344-F349 HydrophobicContact CD2-CZ 4.39Å; Y344-F349 HydrophobicContact CG-CZ 4.35Å; Y347-F349 HydrophobicContact CG-CZ 4.3Å
350	I	93.3	Very high	86.6	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.5	-179.2	-58.4	174.7	0	0	0	108.2	Y284 I290 V327 Y328 I329 T348	Y284-I350 VanDerWaalsContact CB-CG2 3.44Å; Y284-I350 HydrophobicContact CD1-CG2 4.09Å; Y284-I350 HydrophobicContact CD2-CG2 3.95Å; Y284-I350 HydrophobicContact CG-CG2 3.55Å; I290-I350 HydrophobicContact CD1-CD1 3.88Å; V327-I350 PolarHBondContact O-N 3.36Å; Y328-I350 CarbonylContact C-O 3.44Å; Y328-I350 WeakPolarHBondContact CA-O 3.48Å; Y328-I350 HydrophobicContact CD2-CB 4.26Å; Y328-I350 HydrophobicContact CD2-CG2 3.89Å; Y328-I350 HydrophobicContact CE2-CG2 4.37Å; I329-I350 PolarHBondContact N-O 3.12Å; T348-I350 HydrophobicContact CG2-CG1 4.42Å
351	G	89.7	Confident	85.4	Confident	16 Å²	16	65.3 Å²	65.3	17%	0.165	33%	0.331	C	S	.	.	S	Bend	trans	147.6	178.2	179.9	0	0	0	0	0	110.4
352	S	84.9	Confident	84.1	Confident	21 Å²	21	66.4 Å²	66.4	15%	0.147	34%	0.34	C	S	.	.			trans	-118.8	117.1	179.5	174.6	0	0	0	0	111.6	Y284 D354 V355 A356	Y284-S352 VanDerWaalsContact OH-CB 3.27Å; Y284-S352 WeakPolarHBondContact OH-CB 3.16Å; S352-D354 PolarHBondContact O-N 2.91Å; S352-D354 PolarHBondContact OG-N 2.97Å; S352-V355 PolarHBondContact O-N 3.02Å; S352-V355 PolarHBondContact OG-N 2.85Å; S352-V355 VanDerWaalsContact OG-N 3.08Å; S352-A356 PolarHBondContact O-N 3.11Å; S352-A356 VanDerWaalsContact O-N 3.07Å
353	S	81	Confident	82.8	Confident	60 Å²	60	65.2 Å²	65.2	42%	0.42	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-27.5	169.1	50.7	0	0	0	0	112.2	A356 R357	S353-A356 PolarHBondContact O-N 2.61Å; S353-R357 PolarHBondContact O-N 2.92Å
354	D	80.4	Confident	81.7	Confident	86 Å²	86	63.3 Å²	63.3	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-70.3	-39.6	175.4	-67.6	-44.2	0	0	0	111.4	S352 A356 R357 T358	S352-D354 PolarHBondContact O-N 2.91Å; S352-D354 PolarHBondContact OG-N 2.97Å; D354-A356 VanDerWaalsContact C-N 3.34Å; D354-R357 PolarHBondContact O-N 3.02Å; D354-R357 IonicContact OD1-CZ 3.54Å; D354-R357 IonicContact OD1-NH1 2.82Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD1-NH2 2.91Å; D354-R357 PolarHBondContact OD1-NH2 3Å; D354-T358 PolarHBondContact O-N 3.43Å; D354-T358 VanDerWaalsContact O-N 3.15Å
355	V	78.6	Confident	81	Confident	20 Å²	20	67.4 Å²	67.4	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-41.9	172.5	171.4	0	0	0	0	110.6	S352 R357 T358 A359	S352-V355 PolarHBondContact O-N 3.02Å; S352-V355 PolarHBondContact OG-N 2.85Å; S352-V355 VanDerWaalsContact OG-N 3.08Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 3.27Å; V355-T358 PolarHBondContact O-N 2.73Å; V355-T358 PolarHBondContact O-OG1 3.46Å; V355-A359 PolarHBondContact O-N 2.73Å
356	A	74.7	Confident	80.6	Confident	2 Å²	2	64.4 Å²	64.4	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-38.6	175	0	0	0	0	0	112.4	T331 P334 F337 S352 S353 D354 A359	T331-A356 HydrophobicContact CG2-CB 3.91Å; T331-A356 VanDerWaalsContact O-CA 3.25Å; T331-A356 WeakPolarHBondContact O-CA 3.25Å; T331-A356 WeakPolarHBondContact O-CB 3.49Å; P334-A356 HydrophobicContact CB-CB 4.15Å; F337-A356 HydrophobicContact CE2-CB 4.11Å; S352-A356 PolarHBondContact O-N 3.11Å; S352-A356 VanDerWaalsContact O-N 3.07Å; S353-A356 PolarHBondContact O-N 2.61Å; D354-A356 VanDerWaalsContact C-N 3.34Å; A356-A359 PolarHBondContact O-N 3.12Å
357	R	79.4	Confident	80.4	Confident	148 Å²	148	61.3 Å²	61.3	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-67.3	-34.9	177.8	-173	173.8	63.8	-137	-11.5	112.7	S353 D354 V355 A359	S353-R357 PolarHBondContact O-N 2.92Å; D354-R357 PolarHBondContact O-N 3.02Å; D354-R357 IonicContact OD1-CZ 3.54Å; D354-R357 IonicContact OD1-NH1 2.82Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD1-NH2 2.91Å; D354-R357 PolarHBondContact OD1-NH2 3Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 3.27Å; R357-A359 VanDerWaalsContact C-N 3.3Å
358	T	78.4	Confident	80.1	Confident	27 Å²	27	63.7 Å²	63.7	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-80.5	-10	178.9	60.8	0	0	0	0	113.5	D354 V355 D360 W363 T368 S369	D354-T358 PolarHBondContact O-N 3.43Å; D354-T358 VanDerWaalsContact O-N 3.15Å; V355-T358 PolarHBondContact O-N 2.73Å; V355-T358 PolarHBondContact O-OG1 3.46Å; T358-D360 VanDerWaalsContact C-N 3.34Å; T358-W363 CarbonylContact O-C 3.4Å; T358-T368 HydrophobicContact CG2-CG2 4.18Å; T358-S369 WeakPolarHBondContact O-CB 3.48Å; T358-S369 PolarHBondContact O-OG 3.2Å
359	A	67.4	Low	79.9	Confident	18 Å²	18	60.3 Å²	60.3	15%	0.149	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.5	174.2	0	0	0	0	0	113.9	D332 V355 A356 R357 R364	D332-A359 HydrophobicContact CB-CB 4.1Å; V355-A359 PolarHBondContact O-N 2.73Å; A356-A359 PolarHBondContact O-N 3.12Å; R357-A359 VanDerWaalsContact C-N 3.3Å; A359-R364 PolarHBondContact O-NE 3.05Å; A359-R364 VanDerWaalsContact O-NE 3.11Å; A359-R364 PolarHBondContact O-NH2 3.38Å
360	D	69.5	Low	79.8	Confident	72 Å²	72	59.6 Å²	59.6	39%	0.385	30%	0.298	S	S	.	.	S	Bend	trans	-56.3	143.8	171.4	-168.2	-43.8	0	0	0	110.1	T358 K362 W363 R364	T358-D360 VanDerWaalsContact C-N 3.34Å; D360-K362 PolarHBondContact O-N 3.21Å; D360-K362 PolarHBondContact OD1-N 2.91Å; D360-W363 PolarHBondContact O-N 3.17Å; D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 3.03Å
361	L	69.1	Low	79.9	Confident	98 Å²	98	61 Å²	61	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-31.8	-178.6	-74	171.8	0	0	0	113.5	D299 W363 R364	D299-L361 HydrophobicContact CB-CD1 3.94Å; D299-L361 HydrophobicContact CB-CD2 4.37Å; D299-L361 HydrophobicContact CB-CG 4.37Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.38Å; L361-R364 VanDerWaalsContact CD2-NH1 3.34Å
362	K	67.1	Low	80	Confident	176 Å²	176	60.4 Å²	60.4	77%	0.765	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.1	-180	-66.4	-175.4	-178.5	179.4	0	114	D360	D360-K362 PolarHBondContact O-N 3.21Å; D360-K362 PolarHBondContact OD1-N 2.91Å
363	W	68.2	Low	80.5	Confident	164 Å²	164	60.9 Å²	60.9	62%	0.621	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-0.5	-171.8	-56.9	109.2	0	0	0	113.5	T358 D360 L361 Y365 S366 S369	T358-W363 CarbonylContact O-C 3.4Å; D360-W363 PolarHBondContact O-N 3.17Å; L361-W363 VanDerWaalsContact C-N 3.32Å; L361-W363 PolarHBondContact O-N 3.38Å; W363-Y365 PolarHBondContact O-N 2.82Å; W363-Y365 VanDerWaalsContact O-N 3.11Å; W363-S366 PolarHBondContact O-OG 3.11Å; W363-S369 VanDerWaalsContact O-CB 3.29Å; W363-S369 WeakPolarHBondContact O-CB 3.39Å
364	R	74	Confident	81.2	Confident	22 Å²	22	58 Å²	58	8%	0.083	28%	0.279	C	S	.	.	S	Bend	trans	-55.5	-31.6	-170.9	-172.2	175.6	-73.3	-177.8	-0.5	114.3	Y192 D299 A359 D360 L361 S369	Y192-R364 WeakPolarHBondContact CD1-O 3.36Å; Y192-R364 WeakPolarHBondContact CE1-O 3.24Å; D299-R364 IonicContact OD1-CZ 2.93Å; D299-R364 IonicContact OD1-NH1 3Å; D299-R364 PolarHBondContact OD1-NH1 3.13Å; D299-R364 IonicContact OD1-NH2 3.63Å; D299-R364 PolarHBondContact OD1-NH2 2.81Å; D299-R364 IonicContact OD2-CZ 3.69Å; D299-R364 IonicContact OD2-NH1 2.84Å; D299-R364 PolarHBondContact OD2-NH1 3.38Å; D299-R364 IonicContact OD2-NH2 2.73Å; A359-R364 PolarHBondContact O-NE 3.05Å; A359-R364 VanDerWaalsContact O-NE 3.11Å; A359-R364 PolarHBondContact O-NH2 3.38Å; D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 3.03Å; L361-R364 VanDerWaalsContact CD2-NH1 3.34Å; R364-S369 WeakPolarHBondContact CA-OG 3.35Å; R364-S369 WeakPolarHBondContact O-CB 3.25Å; R364-S369 PolarHBondContact O-OG 3.46Å
365	Y	78.6	Confident	81.9	Confident	119 Å²	119	54 Å²	54	47%	0.467	26%	0.257	S	S	.	.	S	Bend	trans	-105	67.3	-175.8	-62.7	-64	0	0	0	111	S191 Y192 W363	S191-Y365 WeakPolarHBondContact O-CB 3.25Å; Y192-Y365 HydrophobicContact CD1-CD1 4.44Å; Y192-Y365 HydrophobicContact CD2-CD1 4.09Å; Y192-Y365 HydrophobicContact CD2-CE1 4.31Å; Y192-Y365 HydrophobicContact CE1-CD1 4.21Å; Y192-Y365 AromaticContact CE2-CD1 3.83Å; Y192-Y365 HydrophobicContact CE2-CD1 3.83Å; Y192-Y365 AromaticContact CE2-CE1 3.66Å; Y192-Y365 HydrophobicContact CE2-CE1 3.66Å; Y192-Y365 HydrophobicContact CG-CD1 4.38Å; Y192-Y365 AromaticContact CZ-CD1 3.88Å; Y192-Y365 AromaticContact CZ-CE1 3.78Å; W363-Y365 PolarHBondContact O-N 2.82Å; W363-Y365 VanDerWaalsContact O-N 3.11Å
366	S	84.5	Confident	82.8	Confident	36 Å²	36	53.4 Å²	53.4	25%	0.252	25%	0.253	S	S	.	.	S	Bend	trans	-146.5	157.5	179.3	62.9	0	0	0	0	111.3	Y192 W363 T368 S369 L370	Y192-S366 CarbonylContact O-C 3.57Å; W363-S366 PolarHBondContact O-OG 3.11Å; S366-T368 PolarHBondContact O-N 3.18Å; S366-S369 PolarHBondContact O-N 3.38Å; S366-S369 VanDerWaalsContact O-N 3.13Å; S366-S369 WeakPolarHBondContact OG-CB 3.44Å; S366-S369 PolarHBondContact OG-N 3.31Å; S366-L370 WeakPolarHBondContact O-CB 3.25Å; S366-L370 PolarHBondContact O-N 3.43Å
367	D	87.5	Confident	83.9	Confident	56 Å²	56	53.3 Å²	53.3	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-38.6	175.8	-73.8	-10	0	0	0	111.7	Y192 S193 H195 L370 Q371	Y192-D367 PolarHBondContact O-N 2.92Å; S193-D367 VanDerWaalsContact CA-OD1 3.24Å; S193-D367 WeakPolarHBondContact CA-OD1 3.49Å; S193-D367 WeakPolarHBondContact CB-OD1 3.48Å; S193-D367 PolarHBondContact OG-OD1 2.86Å; H195-D367 IonicContact ND1-OD2 3.22Å; D367-L370 PolarHBondContact O-N 3.21Å; D367-Q371 WeakPolarHBondContact O-CG 3.21Å; D367-Q371 PolarHBondContact O-N 3Å
368	T	88.5	Confident	84.7	Confident	92 Å²	92	47.7 Å²	47.7	56%	0.564	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-43.6	177.1	-50.9	0	0	0	0	112.2	T358 S366 G372	T358-T368 HydrophobicContact CG2-CG2 4.18Å; S366-T368 PolarHBondContact O-N 3.18Å; T368-G372 PolarHBondContact O-N 3.41Å
369	S	89.1	Confident	85.6	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-38.8	176.8	-167.2	0	0	0	0	111.4	T358 W363 R364 S366 G372 I373	T358-S369 WeakPolarHBondContact O-CB 3.48Å; T358-S369 PolarHBondContact O-OG 3.2Å; W363-S369 VanDerWaalsContact O-CB 3.29Å; W363-S369 WeakPolarHBondContact O-CB 3.39Å; R364-S369 WeakPolarHBondContact CA-OG 3.35Å; R364-S369 WeakPolarHBondContact O-CB 3.25Å; R364-S369 PolarHBondContact O-OG 3.46Å; S366-S369 PolarHBondContact O-N 3.38Å; S366-S369 VanDerWaalsContact O-N 3.13Å; S366-S369 WeakPolarHBondContact OG-CB 3.44Å; S366-S369 PolarHBondContact OG-N 3.31Å; S369-G372 PolarHBondContact O-N 3.44Å; S369-I373 WeakPolarHBondContact O-CG2 3.45Å; S369-I373 PolarHBondContact O-N 3.46Å
370	L	92.9	Very high	87	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-51.9	173.8	175.3	60.4	0	0	0	111.5	F162 W190 Y192 V200 S366 D367 G372 I373 V374	F162-L370 HydrophobicContact CD2-CD1 3.51Å; F162-L370 HydrophobicContact CE2-CD1 3.47Å; F162-L370 VanDerWaalsContact CE2-CD1 3.47Å; F162-L370 HydrophobicContact CG-CD1 4.37Å; F162-L370 HydrophobicContact CZ-CD1 4.29Å; W190-L370 HydrophobicContact CH2-CD1 3.58Å; W190-L370 HydrophobicContact CH2-CD2 3.47Å; W190-L370 VanDerWaalsContact CH2-CD2 3.47Å; W190-L370 HydrophobicContact CH2-CG 4.18Å; W190-L370 HydrophobicContact CZ2-CD1 3.97Å; W190-L370 HydrophobicContact CZ2-CD2 4.4Å; W190-L370 HydrophobicContact CZ3-CD1 4.49Å; W190-L370 HydrophobicContact CZ3-CD2 3.53Å; Y192-L370 HydrophobicContact CD1-CB 4.11Å; Y192-L370 HydrophobicContact CD1-CD1 4.31Å; Y192-L370 HydrophobicContact CG-CD1 4.4Å; V200-L370 HydrophobicContact CG1-CD2 3.96Å; V200-L370 HydrophobicContact CG1-CG 4.06Å; V200-L370 HydrophobicContact CG2-CD1 4.44Å; V200-L370 HydrophobicContact CG2-CD2 4Å; V200-L370 HydrophobicContact CG2-CG 4.25Å; S366-L370 WeakPolarHBondContact O-CB 3.25Å; S366-L370 PolarHBondContact O-N 3.43Å; D367-L370 PolarHBondContact O-N 3.21Å; L370-G372 VanDerWaalsContact C-N 3.27Å; L370-G372 PolarHBondContact O-N 3.02Å; L370-I373 VanDerWaalsContact O-CG2 3.26Å; L370-I373 WeakPolarHBondContact O-CG2 3.49Å; L370-I373 PolarHBondContact O-N 3.24Å; L370-V374 HydrophobicContact CD1-CG2 4.12Å; L370-V374 WeakPolarHBondContact O-CB 3.3Å; L370-V374 VanDerWaalsContact O-CG2 3.24Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 3.33Å
371	Q	93.7	Very high	88.4	Confident	41 Å²	41	42.1 Å²	42.1	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-39.9	177.2	-69.5	177.8	11.5	0	0	111	V200 M273 D367 V374 T375	V200-Q371 HydrophobicContact CG1-CG 3.94Å; M273-Q371 HydrophobicContact SD-CB 4.45Å; M273-Q371 HydrophobicContact SD-CG 4.27Å; D367-Q371 WeakPolarHBondContact O-CG 3.21Å; D367-Q371 PolarHBondContact O-N 3Å; Q371-V374 PolarHBondContact O-N 3.39Å; Q371-T375 WeakPolarHBondContact O-CB 3.43Å; Q371-T375 PolarHBondContact O-N 2.69Å; Q371-T375 PolarHBondContact O-OG1 2.97Å
372	G	93.3	Very high	89.6	Confident	3 Å²	3	39 Å²	39	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-52	176.4	0	0	0	0	0	113.5	T368 S369 L370 V374 T375 D376	T368-G372 PolarHBondContact O-N 3.41Å; S369-G372 PolarHBondContact O-N 3.44Å; L370-G372 VanDerWaalsContact C-N 3.27Å; L370-G372 PolarHBondContact O-N 3.02Å; G372-V374 VanDerWaalsContact C-N 3.3Å; G372-V374 PolarHBondContact O-N 2.93Å; G372-T375 WeakPolarHBondContact O-CB 3.44Å; G372-T375 PolarHBondContact O-N 3.16Å; G372-T375 VanDerWaalsContact O-N 3.14Å; G372-D376 PolarHBondContact O-N 3.42Å
373	I	94	Very high	90.9	Very high	31 Å²	31	30.6 Å²	30.6	16%	0.159	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-33.6	179.9	-169.1	59.8	0	0	0	112.2	F162 S369 L370 D376 I377 V394	F162-I373 HydrophobicContact CB-CG2 4.13Å; F162-I373 HydrophobicContact CD1-CG1 4.12Å; F162-I373 HydrophobicContact CD1-CG2 3.78Å; F162-I373 HydrophobicContact CE1-CG2 4.39Å; F162-I373 HydrophobicContact CG-CG2 3.9Å; S369-I373 WeakPolarHBondContact O-CG2 3.45Å; S369-I373 PolarHBondContact O-N 3.46Å; L370-I373 VanDerWaalsContact O-CG2 3.26Å; L370-I373 WeakPolarHBondContact O-CG2 3.49Å; L370-I373 PolarHBondContact O-N 3.24Å; I373-D376 PolarHBondContact O-N 3.4Å; I373-I377 HydrophobicContact CG1-CD1 4.04Å; I373-I377 WeakPolarHBondContact O-CD1 3.42Å; I373-I377 VanDerWaalsContact O-CG1 3.32Å; I373-I377 WeakPolarHBondContact O-CG1 3.47Å; I373-I377 PolarHBondContact O-N 3.3Å; I373-V394 HydrophobicContact CD1-CG1 3.83Å; I373-V394 HydrophobicContact CD1-CG2 3.98Å
374	V	96.1	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-39.7	173.6	174.6	0	0	0	0	110.8	F162 V200 F201 Y269 M273 L370 Q371 G372 H378	F162-V374 HydrophobicContact CE1-CG2 3.97Å; F162-V374 HydrophobicContact CE2-CG2 4.28Å; F162-V374 HydrophobicContact CZ-CG2 3.65Å; V200-V374 HydrophobicContact CG2-CG2 4.5Å; F201-V374 HydrophobicContact CE1-CG1 4.29Å; F201-V374 HydrophobicContact CZ-CG1 4.31Å; F201-V374 HydrophobicContact CZ-CG2 3.95Å; Y269-V374 HydrophobicContact CD1-CG1 4.22Å; Y269-V374 HydrophobicContact CE1-CG1 3.58Å; M273-V374 HydrophobicContact CE-CB 3.84Å; M273-V374 HydrophobicContact CE-CG1 3.54Å; L370-V374 HydrophobicContact CD1-CG2 4.12Å; L370-V374 WeakPolarHBondContact O-CB 3.3Å; L370-V374 VanDerWaalsContact O-CG2 3.24Å; L370-V374 WeakPolarHBondContact O-CG2 3.39Å; L370-V374 PolarHBondContact O-N 3.33Å; Q371-V374 PolarHBondContact O-N 3.39Å; G372-V374 VanDerWaalsContact C-N 3.3Å; G372-V374 PolarHBondContact O-N 2.93Å; V374-H378 WeakPolarHBondContact O-CB 3.22Å; V374-H378 PolarHBondContact O-N 2.88Å
375	T	96.1	Very high	92.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-46.9	172.4	-64.9	0	0	0	0	111.9	L277 Q371 G372 H378 F379	L277-T375 HydrophobicContact CD2-CG2 4.23Å; Q371-T375 WeakPolarHBondContact O-CB 3.43Å; Q371-T375 PolarHBondContact O-N 2.69Å; Q371-T375 PolarHBondContact O-OG1 2.97Å; G372-T375 WeakPolarHBondContact O-CB 3.44Å; G372-T375 PolarHBondContact O-N 3.16Å; G372-T375 VanDerWaalsContact O-N 3.14Å; T375-H378 WeakPolarHBondContact O-CB 3.44Å; T375-H378 PolarHBondContact O-N 2.91Å; T375-F379 HydrophobicContact CG2-CD2 3.69Å; T375-F379 HydrophobicContact CG2-CE2 3.63Å; T375-F379 WeakPolarHBondContact O-CD2 3.49Å; T375-F379 PolarHBondContact O-N 3.17Å; T375-F379 VanDerWaalsContact O-N 3.11Å
376	D	96.5	Very high	93.6	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-49.2	177.9	-79.4	-4.8	0	0	0	111.8	Y328 A330 G372 I373 H378 F379 L380	Y328-D376 WeakPolarHBondContact OH-CA 3.42Å; Y328-D376 PolarHBondContact OH-OD1 2.96Å; A330-D376 HydrophobicContact CB-CB 3.8Å; G372-D376 PolarHBondContact O-N 3.42Å; I373-D376 PolarHBondContact O-N 3.4Å; D376-H378 VanDerWaalsContact C-N 3.27Å; D376-H378 PolarHBondContact O-N 2.93Å; D376-F379 PolarHBondContact O-N 3.38Å; D376-L380 WeakPolarHBondContact O-CB 3.48Å; D376-L380 WeakPolarHBondContact O-CG 3.48Å; D376-L380 PolarHBondContact O-N 2.85Å
377	I	97.3	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-39.7	177.8	-69.9	160.2	0	0	0	111.1	F162 M267 I373 S381 V394 L397 A398 K401	F162-I377 HydrophobicContact CD1-CD1 3.8Å; F162-I377 HydrophobicContact CE1-CD1 3.61Å; M267-I377 HydrophobicContact CE-CG2 4.22Å; I373-I377 HydrophobicContact CG1-CD1 4.04Å; I373-I377 WeakPolarHBondContact O-CD1 3.42Å; I373-I377 VanDerWaalsContact O-CG1 3.32Å; I373-I377 WeakPolarHBondContact O-CG1 3.47Å; I373-I377 PolarHBondContact O-N 3.3Å; I377-S381 VanDerWaalsContact O-CB 3.28Å; I377-S381 WeakPolarHBondContact O-CB 3.23Å; I377-S381 PolarHBondContact O-N 3.02Å; I377-S381 PolarHBondContact O-OG 3.28Å; I377-V394 HydrophobicContact CD1-CG1 4.38Å; I377-V394 HydrophobicContact CG1-CG1 3.85Å; I377-L397 HydrophobicContact CD1-CD2 3.74Å; I377-L397 HydrophobicContact CD1-CG 4.43Å; I377-L397 HydrophobicContact CG2-CG 4.21Å; I377-A398 HydrophobicContact CG2-CB 4.39Å; I377-K401 HydrophobicContact CG2-CD 4.49Å
378	H	97.3	Very high	94.5	Very high	30 Å²	30	15.8 Å²	15.8	14%	0.139	8%	0.084	C	C	.	.	H	α-helix	trans	-59.9	-55.1	178.5	179.1	63.7	0	0	0	111.9	Y269 L277 V374 T375 D376 S381 L382	Y269-H378 AromaticContact CE2-ND1 3.7Å; Y269-H378 AromaticContact CZ-ND1 3.95Å; Y269-H378 WeakPolarHBondContact OH-CB 3.39Å; Y269-H378 PolarHBondContact OH-ND1 2.98Å; L277-H378 HydrophobicContact CD1-CB 4.39Å; L277-H378 HydrophobicContact CD2-CB 4.09Å; V374-H378 WeakPolarHBondContact O-CB 3.22Å; V374-H378 PolarHBondContact O-N 2.88Å; T375-H378 WeakPolarHBondContact O-CB 3.44Å; T375-H378 PolarHBondContact O-N 2.91Å; D376-H378 VanDerWaalsContact C-N 3.27Å; D376-H378 PolarHBondContact O-N 2.93Å; H378-S381 PolarHBondContact O-N 2.98Å; H378-S381 PolarHBondContact O-OG 3.45Å; H378-L382 VanDerWaalsContact NE2-CD1 3.34Å; H378-L382 WeakPolarHBondContact NE2-CD1 3.46Å; H378-L382 WeakPolarHBondContact O-CG 3.31Å; H378-L382 PolarHBondContact O-N 2.91Å
379	F	97.4	Very high	94.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-73	-29.8	-176.5	-73.4	-62.7	0	0	0	113.4	M280 A281 Y284 F286 Y328 T375 D376 L382 S383	M280-F379 HydrophobicContact CB-CE2 3.87Å; M280-F379 HydrophobicContact CB-CZ 3.97Å; A281-F379 HydrophobicContact CB-CE1 3.9Å; A281-F379 HydrophobicContact CB-CZ 3.97Å; Y284-F379 HydrophobicContact CD2-CD2 4.11Å; Y284-F379 AromaticContact CD2-CE2 3.77Å; Y284-F379 HydrophobicContact CD2-CE2 3.77Å; Y284-F379 HydrophobicContact CD2-CZ 4.01Å; Y284-F379 AromaticContact CE2-CD2 3.9Å; Y284-F379 HydrophobicContact CE2-CD2 3.9Å; Y284-F379 AromaticContact CE2-CE2 3.64Å; Y284-F379 HydrophobicContact CE2-CE2 3.64Å; Y284-F379 HydrophobicContact CE2-CZ 4.33Å; F286-F379 HydrophobicContact CB-CE1 4.21Å; F286-F379 HydrophobicContact CD1-CD1 4.32Å; F286-F379 HydrophobicContact CD1-CE1 4.49Å; F286-F379 HydrophobicContact CD2-CB 4.48Å; F286-F379 AromaticContact CD2-CD1 3.39Å; F286-F379 HydrophobicContact CD2-CD1 3.39Å; F286-F379 AromaticContact CD2-CE1 3.9Å; F286-F379 HydrophobicContact CD2-CE1 3.9Å; F286-F379 HydrophobicContact CD2-CG 4.19Å; F286-F379 HydrophobicContact CE1-CD1 4.4Å; F286-F379 HydrophobicContact CE2-CB 3.93Å; F286-F379 AromaticContact CE2-CD1 3.47Å; F286-F379 HydrophobicContact CE2-CD1 3.47Å; F286-F379 VanDerWaalsContact CE2-CD1 3.47Å; F286-F379 HydrophobicContact CE2-CE1 4.38Å; F286-F379 HydrophobicContact CE2-CG 4.08Å; F286-F379 AromaticContact CG-CD1 3.84Å; F286-F379 HydrophobicContact CG-CD1 3.84Å; F286-F379 AromaticContact CG-CE1 3.94Å; F286-F379 HydrophobicContact CG-CE1 3.94Å; F286-F379 HydrophobicContact CZ-CD1 4Å; Y328-F379 HydrophobicContact CD1-CB 3.94Å; Y328-F379 HydrophobicContact CD2-CB 3.76Å; Y328-F379 HydrophobicContact CD2-CG 4.35Å; Y328-F379 HydrophobicContact CE1-CB 3.6Å; Y328-F379 HydrophobicContact CE2-CB 3.44Å; Y328-F379 VanDerWaalsContact CE2-CB 3.44Å; Y328-F379 AromaticContact CE2-CD2 3.91Å; Y328-F379 HydrophobicContact CE2-CD2 3.91Å; Y328-F379 AromaticContact CE2-CG 3.82Å; Y328-F379 HydrophobicContact CE2-CG 3.82Å; Y328-F379 HydrophobicContact CG-CB 4Å; Y328-F379 AromaticContact CZ-CD2 3.98Å; T375-F379 HydrophobicContact CG2-CD2 3.69Å; T375-F379 HydrophobicContact CG2-CE2 3.63Å; T375-F379 WeakPolarHBondContact O-CD2 3.49Å; T375-F379 PolarHBondContact O-N 3.17Å; T375-F379 VanDerWaalsContact O-N 3.11Å; D376-F379 PolarHBondContact O-N 3.38Å; F379-L382 HydrophobicContact CD1-CD1 4.28Å; F379-L382 PolarHBondContact O-N 2.97Å; F379-S383 PolarHBondContact O-N 3.27Å; F379-S383 PolarHBondContact O-OG 3.37Å
380	L	97.4	Very high	95.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-45.5	167.3	-71	171.9	0	0	0	111.1	H294 Y328 A330 D376 L382 S383 L386 A398	H294-L380 HydrophobicContact CB-CD1 3.94Å; H294-L380 HydrophobicContact CB-CD2 4.29Å; Y328-L380 HydrophobicContact CD1-CD2 3.91Å; Y328-L380 HydrophobicContact CD1-CG 4.12Å; Y328-L380 HydrophobicContact CE1-CD2 4.37Å; Y328-L380 HydrophobicContact CE1-CG 4.14Å; A330-L380 HydrophobicContact CB-CD1 3.7Å; A330-L380 HydrophobicContact CB-CD2 4.11Å; A330-L380 HydrophobicContact CB-CG 4.02Å; D376-L380 WeakPolarHBondContact O-CB 3.48Å; D376-L380 WeakPolarHBondContact O-CG 3.48Å; D376-L380 PolarHBondContact O-N 2.85Å; L380-L382 VanDerWaalsContact C-N 3.26Å; L380-L382 PolarHBondContact O-N 3.39Å; L380-S383 WeakPolarHBondContact O-CB 3.18Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 VanDerWaalsContact O-N 3.08Å; L380-S383 PolarHBondContact O-OG 3.27Å; L380-L386 HydrophobicContact CB-CD1 4.07Å; L380-L386 HydrophobicContact CD2-CD1 3.76Å; L380-L386 HydrophobicContact CG-CD1 4.39Å; L380-A398 HydrophobicContact CB-CB 3.62Å; L380-A398 HydrophobicContact CD1-CB 4.17Å
381	S	97.2	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.9	-26	-179.9	74.1	0	0	0	0	113.7	I377 H378 S383 A398 K401 L405	I377-S381 VanDerWaalsContact O-CB 3.28Å; I377-S381 WeakPolarHBondContact O-CB 3.23Å; I377-S381 PolarHBondContact O-N 3.02Å; I377-S381 PolarHBondContact O-OG 3.28Å; H378-S381 PolarHBondContact O-N 2.98Å; H378-S381 PolarHBondContact O-OG 3.45Å; S381-S383 VanDerWaalsContact C-N 3.32Å; S381-A398 WeakPolarHBondContact CB-O 3.49Å; S381-K401 WeakPolarHBondContact OG-CD 3.27Å; S381-L405 WeakPolarHBondContact O-CD1 3.3Å; S381-L405 WeakPolarHBondContact OG-CD1 3.39Å
382	L	95.5	Very high	95.2	Very high	31 Å²	31	10.5 Å²	10.5	16%	0.162	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1	173.8	-71.6	176.7	0	0	0	113.5	F286 Y288 H378 F379 L380 L405 Y406	F286-L382 HydrophobicContact CE1-CB 3.97Å; F286-L382 HydrophobicContact CE1-CD1 4.44Å; F286-L382 HydrophobicContact CZ-CB 3.86Å; Y288-L382 VanDerWaalsContact CE1-O 3.22Å; Y288-L382 WeakPolarHBondContact CE1-O 3.48Å; H378-L382 VanDerWaalsContact NE2-CD1 3.34Å; H378-L382 WeakPolarHBondContact NE2-CD1 3.46Å; H378-L382 WeakPolarHBondContact O-CG 3.31Å; H378-L382 PolarHBondContact O-N 2.91Å; F379-L382 HydrophobicContact CD1-CD1 4.28Å; F379-L382 PolarHBondContact O-N 2.97Å; L380-L382 VanDerWaalsContact C-N 3.26Å; L380-L382 PolarHBondContact O-N 3.39Å; L382-L405 HydrophobicContact CD2-CD1 3.96Å; L382-L405 HydrophobicContact CG-CD1 4.48Å; L382-Y406 VanDerWaalsContact C-OH 3.32Å; L382-Y406 PolarHBondContact O-OH 2.93Å
383	S	93.5	Very high	95.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-76.9	149.4	179.4	-64.7	0	0	0	0	111.3	G292 F379 L380 S381 F385 M402	G292-S383 VanDerWaalsContact CA-OG 3.3Å; G292-S383 WeakPolarHBondContact CA-OG 3.16Å; G292-S383 VanDerWaalsContact N-CB 3.26Å; G292-S383 PolarHBondContact N-OG 3.03Å; F379-S383 PolarHBondContact O-N 3.27Å; F379-S383 PolarHBondContact O-OG 3.37Å; L380-S383 WeakPolarHBondContact O-CB 3.18Å; L380-S383 PolarHBondContact O-N 2.96Å; L380-S383 VanDerWaalsContact O-N 3.08Å; L380-S383 PolarHBondContact O-OG 3.27Å; S381-S383 VanDerWaalsContact C-N 3.32Å; S383-F385 PolarHBondContact O-N 3.46Å; S383-M402 VanDerWaalsContact O-CE 3.25Å; S383-M402 WeakPolarHBondContact O-CE 3.29Å
384	N	90.4	Very high	95.4	Very high	44 Å²	44	11.8 Å²	11.8	24%	0.235	6%	0.061	C	C	.	.	S	Bend	trans	-68.3	-22.9	177.8	-60.6	112.6	0	0	0	112.9	Y288 P289 I290	Y288-N384 WeakPolarHBondContact CD1-OD1 3.5Å; P289-N384 WeakPolarHBondContact CA-OD1 3.34Å; I290-N384 PolarHBondContact N-OD1 3.39Å; I290-N384 PolarHBondContact O-N 3.49Å; I290-N384 PolarHBondContact O-OD1 3.28Å
385	F	92.7	Very high	95.5	Very high	42 Å²	42	11.8 Å²	11.8	18%	0.184	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	143.1	179.8	-162.3	-98.5	0	0	0	108.8	V291 G292 C320 S383 V387 Y411 N412 F413 R414	V291-F385 WeakPolarHBondContact CA-O 3.49Å; V291-F385 HydrophobicContact CG1-CB 4.47Å; V291-F385 WeakPolarHBondContact CG1-O 3.38Å; G292-F385 PolarHBondContact N-O 3.13Å; C320-F385 VanDerWaalsContact SG-CD1 3.54Å; S383-F385 PolarHBondContact O-N 3.46Å; F385-V387 HydrophobicContact CD1-CG2 3.89Å; F385-V387 HydrophobicContact CE1-CG2 3.99Å; F385-Y411 WeakPolarHBondContact CE2-O 3.47Å; F385-N412 VanDerWaalsContact CD2-C 3.49Å; F385-N412 HydrophobicContact CD2-CB 4.41Å; F385-F413 VanDerWaalsContact CZ-O 3.25Å; F385-F413 WeakPolarHBondContact CZ-O 3.17Å; F385-R414 HydrophobicContact CE1-CB 3.69Å; F385-R414 HydrophobicContact CZ-CB 3.99Å
386	L	94.7	Very high	95.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.4	-177.2	-173.7	62.5	0	0	0	110.9	G292 L380 C395 A398 M402 N412 F413 R414	G292-L386 CarbonylContact O-C 3.58Å; G292-L386 WeakPolarHBondContact O-CA 3.08Å; L380-L386 HydrophobicContact CB-CD1 4.07Å; L380-L386 HydrophobicContact CD2-CD1 3.76Å; L380-L386 HydrophobicContact CG-CD1 4.39Å; L386-C395 WeakPolarHBondContact CD2-SG 3.36Å; L386-A398 HydrophobicContact CD2-CB 4.26Å; L386-M402 HydrophobicContact CB-CE 3.94Å; L386-N412 PolarHBondContact N-O 3.27Å; L386-F413 HydrophobicContact CB-CB 4.35Å; L386-F413 CarbonylContact O-C 3.53Å; L386-F413 WeakPolarHBondContact O-CA 3.48Å; L386-R414 PolarHBondContact O-N 3.25Å
387	V	95.7	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.3	173.6	-172.7	0	0	0	0	109.1	V291 G292 I293 H294 Y313 E316 V317 F385 R414	V291-V387 HydrophobicContact CG1-CG2 3.95Å; G292-V387 PolarHBondContact O-N 3.23Å; I293-V387 VanDerWaalsContact CA-O 3.24Å; I293-V387 WeakPolarHBondContact CA-O 3.4Å; I293-V387 HydrophobicContact CG1-CB 4.39Å; H294-V387 PolarHBondContact N-O 3.33Å; H294-V387 VanDerWaalsContact N-O 3.11Å; Y313-V387 HydrophobicContact CD1-CG1 4.08Å; E316-V387 HydrophobicContact CB-CG1 3.84Å; E316-V387 HydrophobicContact CB-CG2 4.21Å; E316-V387 HydrophobicContact CG-CG1 4.44Å; V317-V387 HydrophobicContact CG2-CG2 4.06Å; F385-V387 HydrophobicContact CD1-CG2 3.89Å; F385-V387 HydrophobicContact CE1-CG2 3.99Å; V387-R414 WeakPolarHBondContact CA-O 3.22Å; V387-R414 HydrophobicContact CG2-CB 4.42Å
388	C	96.3	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-169.6	-173.8	72.1	0	0	0	0	112.6	H294 F390 C395 R414 S415 L416	H294-C388 HydrophobicContact CB-CB 3.89Å; C388-F390 VanDerWaalsContact SG-CD1 3.56Å; C388-C395 HydrophobicContact CB-CB 3.57Å; C388-C395 WeakPolarHBondContact CB-SG 3.5Å; C388-C395 WeakPolarHBondContact SG-CB 3.25Å; C388-C395 CovalentContact SG-SG 1.98Å; C388-C395 PolarHBondContact SG-SG 3.09Å; C388-R414 PolarHBondContact N-O 3.48Å; C388-S415 CarbonylContact O-C 3.53Å; C388-S415 VanDerWaalsContact O-CA 3.24Å; C388-S415 WeakPolarHBondContact O-CA 3.39Å; C388-L416 PolarHBondContact O-N 3.36Å
389	T	95.3	Very high	95.7	Very high	2 Å²	2	10 Å²	10	1%	0.012	5%	0.053	C	C	.	.			trans	-103.3	125	161	55.2	0	0	0	0	110.6	S391 S392 C395 L416 D417	T389-S391 WeakPolarHBondContact CB-OG 3.27Å; T389-S391 PolarHBondContact O-N 3.29Å; T389-S392 WeakPolarHBondContact O-CB 3.47Å; T389-S392 PolarHBondContact O-N 2.99Å; T389-S392 VanDerWaalsContact O-N 3.17Å; T389-C395 WeakPolarHBondContact O-CB 3.18Å; T389-L416 HydrophobicContact CG2-CB 4.25Å; T389-D417 VanDerWaalsContact C-OD1 3.32Å; T389-D417 WeakPolarHBondContact CA-OD1 3.39Å; T389-D417 WeakPolarHBondContact CB-OD1 3.41Å; T389-D417 VanDerWaalsContact CB-OD2 3.24Å; T389-D417 WeakPolarHBondContact CB-OD2 3.14Å
390	F	95.7	Very high	95.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.1	172.3	-84.3	-5.6	0	0	0	113.3	C388 S392 C395 R396 Y399 F413 S415 D417 D418 Y420 Y421	C388-F390 VanDerWaalsContact SG-CD1 3.56Å; F390-S392 PolarHBondContact O-N 2.91Å; F390-C395 HydrophobicContact CD1-CB 4.32Å; F390-R396 HydrophobicContact CB-CG 4.33Å; F390-R396 HydrophobicContact CD1-CG 4.05Å; F390-R396 HydrophobicContact CG-CG 4.26Å; F390-R396 WeakPolarHBondContact O-CD 3.22Å; F390-R396 PolarHBondContact O-NH1 3.46Å; F390-Y399 HydrophobicContact CE1-CD1 4.46Å; F390-Y399 HydrophobicContact CE1-CG 4.17Å; F390-Y399 HydrophobicContact CE2-CD1 4.48Å; F390-Y399 AromaticContact CZ-CD1 3.79Å; F390-Y399 HydrophobicContact CZ-CD1 3.79Å; F390-Y399 HydrophobicContact CZ-CD2 4.07Å; F390-Y399 HydrophobicContact CZ-CE1 4.24Å; F390-Y399 AromaticContact CZ-CG 3.68Å; F390-Y399 HydrophobicContact CZ-CG 3.68Å; F390-F413 HydrophobicContact CD2-CD2 4.13Å; F390-F413 AromaticContact CD2-CE2 3.86Å; F390-F413 HydrophobicContact CD2-CE2 3.86Å; F390-F413 HydrophobicContact CE1-CD2 4.2Å; F390-F413 HydrophobicContact CE2-CD1 4.33Å; F390-F413 AromaticContact CE2-CD2 3.3Å; F390-F413 HydrophobicContact CE2-CD2 3.3Å; F390-F413 HydrophobicContact CE2-CE1 4.21Å; F390-F413 AromaticContact CE2-CE2 3.18Å; F390-F413 HydrophobicContact CE2-CE2 3.18Å; F390-F413 AromaticContact CE2-CG 3.91Å; F390-F413 HydrophobicContact CE2-CG 3.91Å; F390-F413 AromaticContact CE2-CZ 3.67Å; F390-F413 HydrophobicContact CE2-CZ 3.67Å; F390-F413 HydrophobicContact CZ-CB 4.08Å; F390-F413 HydrophobicContact CZ-CD1 4.19Å; F390-F413 AromaticContact CZ-CD2 3.34Å; F390-F413 HydrophobicContact CZ-CD2 3.34Å; F390-F413 AromaticContact CZ-CE2 3.77Å; F390-F413 HydrophobicContact CZ-CE2 3.77Å; F390-F413 AromaticContact CZ-CG 3.59Å; F390-F413 HydrophobicContact CZ-CG 3.59Å; F390-F413 HydrophobicContact CZ-CZ 4.33Å; F390-S415 WeakPolarHBondContact CB-OG 3.43Å; F390-S415 PolarHBondContact N-OG 3.31Å; F390-S415 VanDerWaalsContact N-OG 3.08Å; F390-D417 PolarHBondContact N-OD1 2.78Å; F390-D418 HydrophobicContact CB-CB 4.11Å; F390-D418 WeakPolarHBondContact CB-O 3.28Å; F390-Y420 HydrophobicContact CE2-CD2 4.42Å; F390-Y421 VanDerWaalsContact O-CE1 3.25Å; F390-Y421 WeakPolarHBondContact O-CE1 3.27Å
391	S	92.7	Very high	95.6	Very high	14 Å²	14	10.7 Å²	10.7	10%	0.098	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.3	158.3	57.1	0	0	0	0	112	T389 R396 D417 D418 Y421	T389-S391 WeakPolarHBondContact CB-OG 3.27Å; T389-S391 PolarHBondContact O-N 3.29Å; S391-R396 VanDerWaalsContact C-NH1 3.27Å; S391-R396 PolarHBondContact O-NH1 3.48Å; S391-D417 WeakPolarHBondContact CB-OD2 3.46Å; S391-D417 PolarHBondContact N-OD1 2.97Å; S391-D417 PolarHBondContact OG-OD2 3.44Å; S391-D418 WeakPolarHBondContact CA-OD2 3.09Å; S391-Y421 PolarHBondContact O-OH 2.99Å
392	S	94.8	Very high	95.5	Very high	13 Å²	13	10.7 Å²	10.7	9%	0.091	6%	0.055	C	C	.	.	S	Bend	trans	-77.4	122.2	177.4	179.7	0	0	0	0	112.9	H294 T389 F390 V394 C395 R396	H294-S392 PolarHBondContact CE1-OG 3.33Å; T389-S392 WeakPolarHBondContact O-CB 3.47Å; T389-S392 PolarHBondContact O-N 2.99Å; T389-S392 VanDerWaalsContact O-N 3.17Å; F390-S392 PolarHBondContact O-N 2.91Å; S392-V394 PolarHBondContact O-N 3.18Å; S392-V394 PolarHBondContact OG-N 2.86Å; S392-C395 PolarHBondContact O-N 3.21Å; S392-R396 PolarHBondContact O-N 3.25Å
393	Q	94.7	Very high	95.5	Very high	44 Å²	44	9.2 Å²	9.2	21%	0.206	5%	0.048	C	C	.	.	H	α-helix	trans	-58.7	-31	172.6	-60.7	-95.2	42.7	0	0	112	A163 C164 H167 R396 L397	A163-Q393 VanDerWaalsContact CB-C 3.49Å; A163-Q393 HydrophobicContact CB-CB 3.66Å; A163-Q393 WeakPolarHBondContact CB-O 3.29Å; C164-Q393 HydrophobicContact CB-CG 4.17Å; H167-Q393 PolarHBondContact CE1-OE1 3.05Å; H167-Q393 PolarHBondContact ND1-OE1 3.33Å; Q393-R396 PolarHBondContact O-N 2.9Å; Q393-L397 WeakPolarHBondContact O-CB 3.25Å; Q393-L397 PolarHBondContact O-N 2.88Å
394	V	95.8	Very high	95.4	Very high	17 Å²	17	12.1 Å²	12.1	10%	0.103	6%	0.061	C	C	.	.	H	α-helix	trans	-64	-45.1	178.7	177.8	0	0	0	0	110.5	A163 I373 I377 S392 L397 A398	A163-V394 HydrophobicContact CB-CG2 4.05Å; I373-V394 HydrophobicContact CD1-CG1 3.83Å; I373-V394 HydrophobicContact CD1-CG2 3.98Å; I377-V394 HydrophobicContact CD1-CG1 4.38Å; I377-V394 HydrophobicContact CG1-CG1 3.85Å; S392-V394 PolarHBondContact O-N 3.18Å; S392-V394 PolarHBondContact OG-N 2.86Å; V394-L397 PolarHBondContact O-N 3.18Å; V394-A398 PolarHBondContact O-N 2.88Å
395	C	97.5	Very high	95.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.6	-42.2	178.4	-172.8	0	0	0	0	111.8	H294 L386 C388 T389 F390 S392 L397 A398 Y399	H294-C395 HydrophobicContact CB-CB 4.46Å; L386-C395 WeakPolarHBondContact CD2-SG 3.36Å; C388-C395 HydrophobicContact CB-CB 3.57Å; C388-C395 WeakPolarHBondContact CB-SG 3.5Å; C388-C395 WeakPolarHBondContact SG-CB 3.25Å; C388-C395 CovalentContact SG-SG 1.98Å; C388-C395 PolarHBondContact SG-SG 3.09Å; T389-C395 WeakPolarHBondContact O-CB 3.18Å; F390-C395 HydrophobicContact CD1-CB 4.32Å; S392-C395 PolarHBondContact O-N 3.21Å; C395-L397 VanDerWaalsContact C-N 3.3Å; C395-L397 PolarHBondContact O-N 3.33Å; C395-A398 PolarHBondContact O-N 3.11Å; C395-Y399 WeakPolarHBondContact O-CB 3.36Å; C395-Y399 PolarHBondContact O-N 3.19Å
396	R	97.7	Very high	94.8	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.011	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-42.8	176.5	-63.4	-162	-59.9	-88	18.5	111.7	F390 S391 S392 Q393 A398 Y399 E400 Y420 Y421	F390-R396 HydrophobicContact CB-CG 4.33Å; F390-R396 HydrophobicContact CD1-CG 4.05Å; F390-R396 HydrophobicContact CG-CG 4.26Å; F390-R396 WeakPolarHBondContact O-CD 3.22Å; F390-R396 PolarHBondContact O-NH1 3.46Å; S391-R396 VanDerWaalsContact C-NH1 3.27Å; S391-R396 PolarHBondContact O-NH1 3.48Å; S392-R396 PolarHBondContact O-N 3.25Å; Q393-R396 PolarHBondContact O-N 2.9Å; R396-A398 PolarHBondContact O-N 3.15Å; R396-Y399 PolarHBondContact O-N 2.82Å; R396-E400 WeakPolarHBondContact O-CB 3.26Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.43Å; R396-Y420 HydrophobicContact CB-CE2 4.44Å; R396-Y421 WeakPolarHBondContact CD-O 3.49Å; R396-Y421 PolarHBondContact NE-O 3.45Å; R396-Y421 PolarHBondContact NH1-OH 3.33Å; R396-Y421 VanDerWaalsContact NH2-CE2 3.26Å; R396-Y421 VanDerWaalsContact NH2-CZ 3.29Å; R396-Y421 PolarHBondContact NH2-OH 2.93Å
397	L	97.8	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-39.6	177.8	-175.4	57.7	0	0	0	112.5	F162 A163 V166 V263 M267 I377 Q393 V394 C395 E400 K401	F162-L397 HydrophobicContact CE1-CD2 4.25Å; A163-L397 HydrophobicContact CB-CB 4.29Å; A163-L397 HydrophobicContact CB-CD2 3.85Å; V166-L397 HydrophobicContact CB-CD2 3.94Å; V166-L397 HydrophobicContact CG1-CD1 3.75Å; V166-L397 HydrophobicContact CG1-CD2 3.9Å; V166-L397 HydrophobicContact CG2-CD2 4.21Å; V263-L397 HydrophobicContact CB-CD1 4.35Å; V263-L397 HydrophobicContact CG1-CD1 3.57Å; V263-L397 HydrophobicContact CG2-CD1 3.75Å; M267-L397 HydrophobicContact SD-CD1 4.04Å; M267-L397 HydrophobicContact SD-CD2 4.16Å; M267-L397 HydrophobicContact SD-CG 4.26Å; I377-L397 HydrophobicContact CD1-CD2 3.74Å; I377-L397 HydrophobicContact CD1-CG 4.43Å; I377-L397 HydrophobicContact CG2-CG 4.21Å; Q393-L397 WeakPolarHBondContact O-CB 3.25Å; Q393-L397 PolarHBondContact O-N 2.88Å; V394-L397 PolarHBondContact O-N 3.18Å; C395-L397 VanDerWaalsContact C-N 3.3Å; C395-L397 PolarHBondContact O-N 3.33Å; L397-E400 PolarHBondContact O-N 2.97Å; L397-K401 WeakPolarHBondContact O-CB 3.43Å; L397-K401 PolarHBondContact O-N 2.87Å
398	A	98.1	Very high	93.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-42.8	173.5	0	0	0	0	0	112.2	I377 L380 S381 L386 V394 C395 R396 K401 M402	I377-A398 HydrophobicContact CG2-CB 4.39Å; L380-A398 HydrophobicContact CB-CB 3.62Å; L380-A398 HydrophobicContact CD1-CB 4.17Å; S381-A398 WeakPolarHBondContact CB-O 3.49Å; L386-A398 HydrophobicContact CD2-CB 4.26Å; V394-A398 PolarHBondContact O-N 2.88Å; C395-A398 PolarHBondContact O-N 3.11Å; R396-A398 PolarHBondContact O-N 3.15Å; A398-K401 PolarHBondContact O-N 3.33Å; A398-M402 WeakPolarHBondContact O-CB 3.29Å; A398-M402 PolarHBondContact O-N 2.95Å
399	Y	97.9	Very high	93.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-41.1	174.6	170.4	-109.8	0	0	0	112.3	A256 F390 C395 R396 M402 Q403 G410 F413 Y420	A256-Y399 HydrophobicContact CB-CD1 4.3Å; A256-Y399 HydrophobicContact CB-CE1 3.44Å; A256-Y399 VanDerWaalsContact CB-CE1 3.44Å; F390-Y399 HydrophobicContact CE1-CD1 4.46Å; F390-Y399 HydrophobicContact CE1-CG 4.17Å; F390-Y399 HydrophobicContact CE2-CD1 4.48Å; F390-Y399 AromaticContact CZ-CD1 3.79Å; F390-Y399 HydrophobicContact CZ-CD1 3.79Å; F390-Y399 HydrophobicContact CZ-CD2 4.07Å; F390-Y399 HydrophobicContact CZ-CE1 4.24Å; F390-Y399 AromaticContact CZ-CG 3.68Å; F390-Y399 HydrophobicContact CZ-CG 3.68Å; C395-Y399 WeakPolarHBondContact O-CB 3.36Å; C395-Y399 PolarHBondContact O-N 3.19Å; R396-Y399 PolarHBondContact O-N 2.82Å; Y399-M402 VanDerWaalsContact O-CB 3.32Å; Y399-M402 WeakPolarHBondContact O-CB 3.42Å; Y399-M402 PolarHBondContact O-N 2.69Å; Y399-Q403 VanDerWaalsContact CD2-NE2 3.31Å; Y399-Q403 VanDerWaalsContact O-CG 3.31Å; Y399-Q403 WeakPolarHBondContact O-CG 3.37Å; Y399-Q403 PolarHBondContact O-N 3.35Å; Y399-Q403 PolarHBondContact O-NE2 3.28Å; Y399-G410 WeakPolarHBondContact OH-CA 3.38Å; Y399-G410 PolarHBondContact OH-O 2.67Å; Y399-F413 HydrophobicContact CD2-CB 4.08Å; Y399-F413 HydrophobicContact CD2-CD1 4.07Å; Y399-F413 HydrophobicContact CD2-CG 4.27Å; Y399-F413 HydrophobicContact CE2-CB 4.26Å; Y399-F413 AromaticContact CE2-CD1 3.43Å; Y399-F413 HydrophobicContact CE2-CD1 3.43Å; Y399-F413 VanDerWaalsContact CE2-CD1 3.43Å; Y399-F413 HydrophobicContact CE2-CE1 4.1Å; Y399-F413 HydrophobicContact CE2-CG 4.08Å; Y399-F413 AromaticContact CZ-CD1 3.89Å; Y399-Y420 AromaticContact CD1-CD2 3.54Å; Y399-Y420 HydrophobicContact CD1-CD2 3.54Å; Y399-Y420 AromaticContact CD1-CE2 3.88Å; Y399-Y420 HydrophobicContact CD1-CE2 3.88Å; Y399-Y420 HydrophobicContact CD1-CG 4.35Å; Y399-Y420 AromaticContact CE1-CD2 3.59Å; Y399-Y420 HydrophobicContact CE1-CD2 3.59Å; Y399-Y420 HydrophobicContact CE1-CE2 4.09Å; Y399-Y420 AromaticContact CE1-CG 3.94Å; Y399-Y420 HydrophobicContact CE1-CG 3.94Å
400	E	97.5	Very high	93	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-48.5	176.2	-72.6	163.7	-178.3	0	0	111	H167 T259 G260 V263 R396 L397 M402 Q403 Y420	H167-E400 IonicContact CD2-OE2 3.77Å; H167-E400 PolarHBondContact CD2-OE2 3.06Å; H167-E400 IonicContact NE2-OE1 3.79Å; H167-E400 IonicContact NE2-OE2 2.8Å; H167-E400 PolarHBondContact NE2-OE2 2.72Å; T259-E400 HydrophobicContact CG2-CB 4.34Å; T259-E400 HydrophobicContact CG2-CG 3.81Å; T259-E400 VanDerWaalsContact CG2-OE2 3.3Å; T259-E400 WeakPolarHBondContact CG2-OE2 3.17Å; G260-E400 WeakPolarHBondContact CA-O 3.5Å; V263-E400 HydrophobicContact CG2-CB 4.44Å; R396-E400 WeakPolarHBondContact O-CB 3.26Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.43Å; L397-E400 PolarHBondContact O-N 2.97Å; E400-M402 VanDerWaalsContact C-N 3.26Å; E400-M402 PolarHBondContact O-N 3.32Å; E400-Q403 WeakPolarHBondContact O-CB 3.43Å; E400-Q403 PolarHBondContact O-N 2.91Å; E400-Y420 HydrophobicContact CG-CE2 3.83Å; E400-Y420 VanDerWaalsContact OE1-CE2 3.29Å; E400-Y420 WeakPolarHBondContact OE1-CE2 3.21Å; E400-Y420 PolarHBondContact OE1-OH 2.73Å
401	K	96.1	Very high	92.7	Very high	14 Å²	14	26.5 Å²	26.5	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-36	176	-169.5	177.3	178.6	84.1	0	111.8	V263 Y269 I377 S381 L397 A398 Q403 H404 L405	V263-K401 HydrophobicContact CG1-CB 4.25Å; Y269-K401 WeakPolarHBondContact OH-CE 3.16Å; Y269-K401 PolarHBondContact OH-NZ 3.08Å; I377-K401 HydrophobicContact CG2-CD 4.49Å; S381-K401 WeakPolarHBondContact OG-CD 3.27Å; L397-K401 WeakPolarHBondContact O-CB 3.43Å; L397-K401 PolarHBondContact O-N 2.87Å; A398-K401 PolarHBondContact O-N 3.33Å; K401-Q403 PolarHBondContact O-N 3.36Å; K401-H404 PolarHBondContact O-N 3.42Å; K401-L405 HydrophobicContact CG-CD1 4.35Å; K401-L405 WeakPolarHBondContact O-CG 3.25Å; K401-L405 PolarHBondContact O-N 2.83Å
402	M	95.8	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-35.3	174	-179.3	-174.1	-70.5	0	0	112.3	S383 L386 A398 Y399 E400 H404 L405 Y406 A409 N412	S383-M402 VanDerWaalsContact O-CE 3.25Å; S383-M402 WeakPolarHBondContact O-CE 3.29Å; L386-M402 HydrophobicContact CB-CE 3.94Å; A398-M402 WeakPolarHBondContact O-CB 3.29Å; A398-M402 PolarHBondContact O-N 2.95Å; Y399-M402 VanDerWaalsContact O-CB 3.32Å; Y399-M402 WeakPolarHBondContact O-CB 3.42Å; Y399-M402 PolarHBondContact O-N 2.69Å; E400-M402 VanDerWaalsContact C-N 3.26Å; E400-M402 PolarHBondContact O-N 3.32Å; M402-H404 PolarHBondContact O-N 3.37Å; M402-L405 PolarHBondContact O-N 3.23Å; M402-L405 VanDerWaalsContact O-N 3.14Å; M402-Y406 HydrophobicContact CG-CD2 3.45Å; M402-Y406 VanDerWaalsContact CG-CD2 3.45Å; M402-Y406 HydrophobicContact CG-CE2 3.82Å; M402-Y406 WeakPolarHBondContact O-CD2 3.41Å; M402-Y406 PolarHBondContact O-N 2.97Å; M402-A409 HydrophobicContact CG-CB 4.05Å; M402-A409 HydrophobicContact SD-CB 4.28Å; M402-N412 HydrophobicContact SD-CB 3.72Å
403	Q	94	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-20.1	-179.1	-50.4	-47.8	-64.4	0	0	113.8	H251 A256 W257 Y399 E400 K401 A409 G410	H251-Q403 PolarHBondContact CE1-OE1 3.5Å; H251-Q403 PolarHBondContact NE2-OE1 2.86Å; H251-Q403 VanDerWaalsContact NE2-OE1 3.09Å; A256-Q403 HydrophobicContact CB-CG 3.99Å; W257-Q403 HydrophobicContact CB-CB 4.42Å; Y399-Q403 VanDerWaalsContact CD2-NE2 3.31Å; Y399-Q403 VanDerWaalsContact O-CG 3.31Å; Y399-Q403 WeakPolarHBondContact O-CG 3.37Å; Y399-Q403 PolarHBondContact O-N 3.35Å; Y399-Q403 PolarHBondContact O-NE2 3.28Å; E400-Q403 WeakPolarHBondContact O-CB 3.43Å; E400-Q403 PolarHBondContact O-N 2.91Å; K401-Q403 PolarHBondContact O-N 3.36Å; Q403-A409 PolarHBondContact NE2-O 3.45Å; Q403-A409 PolarHBondContact OE1-O 3.49Å; Q403-G410 VanDerWaalsContact OE1-N 3.13Å
404	H	92.8	Very high	92.5	Very high	62 Å²	62	29.6 Å²	29.6	29%	0.287	14%	0.137	S	C	.	.	H	α-helix	trans	-86.5	-31.5	174.4	-179.7	69.8	0	0	0	112.3	S130 E261 S264 K401 M402	S130-H404 PolarHBondContact OG-CE1 3.39Å; S130-H404 VanDerWaalsContact OG-CE1 3.22Å; S130-H404 PolarHBondContact OG-ND1 2.93Å; E261-H404 IonicContact OE1-CE1 3Å; E261-H404 IonicContact OE1-CG 3.53Å; E261-H404 IonicContact OE1-ND1 3.41Å; E261-H404 PolarHBondContact OE1-ND1 2.94Å; E261-H404 IonicContact OE2-CE1 2.84Å; E261-H404 IonicContact OE2-ND1 3.3Å; E261-H404 PolarHBondContact OE2-ND1 3.27Å; S264-H404 WeakPolarHBondContact CB-CD2 3.34Å; S264-H404 VanDerWaalsContact CB-CG 3.5Å; S264-H404 WeakPolarHBondContact OG-CB 3.45Å; S264-H404 PolarHBondContact OG-CD2 3.36Å; S264-H404 VanDerWaalsContact OG-CD2 3.25Å; K401-H404 PolarHBondContact O-N 3.42Å; M402-H404 PolarHBondContact O-N 3.37Å
405	L	89.7	Confident	92.4	Very high	78 Å²	78	28.8 Å²	28.8	41%	0.408	13%	0.132	S	C	.	.	H	α-helix	trans	-80.5	-34.6	-175	-63.8	169.6	0	0	0	112.4	S381 L382 K401 M402	S381-L405 WeakPolarHBondContact O-CD1 3.3Å; S381-L405 WeakPolarHBondContact OG-CD1 3.39Å; L382-L405 HydrophobicContact CD2-CD1 3.96Å; L382-L405 HydrophobicContact CG-CD1 4.48Å; K401-L405 HydrophobicContact CG-CD1 4.35Å; K401-L405 WeakPolarHBondContact O-CG 3.25Å; K401-L405 PolarHBondContact O-N 2.83Å; M402-L405 PolarHBondContact O-N 3.23Å; M402-L405 VanDerWaalsContact O-N 3.14Å
406	Y	81	Confident	92.2	Very high	59 Å²	59	30.2 Å²	30.2	23%	0.231	14%	0.14	C	C	.	.	S	Bend	trans	-108.9	161.8	175.3	-59.9	-79.1	0	0	0	109.1	L382 M402	L382-Y406 VanDerWaalsContact C-OH 3.32Å; L382-Y406 PolarHBondContact O-OH 2.93Å; M402-Y406 HydrophobicContact CG-CD2 3.45Å; M402-Y406 VanDerWaalsContact CG-CD2 3.45Å; M402-Y406 HydrophobicContact CG-CE2 3.82Å; M402-Y406 WeakPolarHBondContact O-CD2 3.41Å; M402-Y406 PolarHBondContact O-N 2.97Å
407	G	78.6	Confident	92	Very high	13 Å²	13	31.7 Å²	31.7	13%	0.134	15%	0.148	C	C	.	.	S	Bend	trans	-72.5	-97.6	173.9	0	0	0	0	0	111.3	H251 A409	H251-G407 PolarHBondContact CD2-O 3.23Å; H251-G407 VanDerWaalsContact CD2-O 3.28Å; H251-G407 PolarHBondContact NE2-O 3.03Å; G407-A409 PolarHBondContact O-N 3.22Å
408	D	86.5	Confident	91.7	Very high	68 Å²	68	34.5 Å²	34.5	36%	0.364	16%	0.163	S	C	.	.	S	Bend	trans	-87.2	94.9	175.7	-170.4	6.6	0	0	0	110.4	L126 H251 S252 G410	L126-D408 HydrophobicContact CD1-CB 4.27Å; H251-D408 IonicContact CD2-OD1 3.63Å; H251-D408 IonicContact CE1-OD1 3.43Å; H251-D408 IonicContact CG-OD1 3.85Å; H251-D408 IonicContact ND1-OD1 2.92Å; H251-D408 IonicContact NE2-OD1 3.75Å; S252-D408 VanDerWaalsContact CB-OD1 3.28Å; S252-D408 WeakPolarHBondContact CB-OD1 3.38Å; S252-D408 WeakPolarHBondContact CB-OD2 3.44Å; S252-D408 PolarHBondContact N-OD1 3.26Å; S252-D408 PolarHBondContact N-OD2 3.34Å; S252-D408 PolarHBondContact OG-OD1 3.47Å; S252-D408 PolarHBondContact OG-OD2 2.54Å; D408-G410 PolarHBondContact OD1-N 3.43Å
409	A	89.8	Confident	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.			trans	-110.5	18.3	176.6	0	0	0	0	0	112.5	M402 Q403 G407 Y411 N412	M402-A409 HydrophobicContact CG-CB 4.05Å; M402-A409 HydrophobicContact SD-CB 4.28Å; Q403-A409 PolarHBondContact NE2-O 3.45Å; Q403-A409 PolarHBondContact OE1-O 3.49Å; G407-A409 PolarHBondContact O-N 3.22Å; A409-Y411 PolarHBondContact O-N 3.07Å; A409-Y411 VanDerWaalsContact O-N 3.15Å; A409-N412 HydrophobicContact CB-CB 4.08Å; A409-N412 WeakPolarHBondContact O-CB 3.38Å; A409-N412 PolarHBondContact O-N 3.4Å
410	G	89.2	Confident	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	-175.7	0	0	0	0	0	113.1	S252 Y399 Q403 D408 F413	S252-G410 WeakPolarHBondContact OG-CA 3.38Å; S252-G410 PolarHBondContact OG-N 3.04Å; Y399-G410 WeakPolarHBondContact OH-CA 3.38Å; Y399-G410 PolarHBondContact OH-O 2.67Å; Q403-G410 VanDerWaalsContact OE1-N 3.13Å; D408-G410 PolarHBondContact OD1-N 3.43Å; G410-F413 VanDerWaalsContact O-CD1 3.31Å; G410-F413 WeakPolarHBondContact O-CD1 3.32Å; G410-F413 WeakPolarHBondContact O-CE1 3.37Å
411	Y	88.8	Confident	91.1	Very high	172 Å²	172	38.7 Å²	38.7	68%	0.675	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	6.9	174.4	-62.5	-64.4	0	0	0	114.7	F385 A409 F413	F385-Y411 WeakPolarHBondContact CE2-O 3.47Å; A409-Y411 PolarHBondContact O-N 3.07Å; A409-Y411 VanDerWaalsContact O-N 3.15Å; Y411-F413 PolarHBondContact O-N 3.47Å
412	N	90.8	Very high	90.8	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.251	18%	0.178	S	C	.	.	S	Bend	trans	-80.8	39.8	-178.1	-69	10.7	0	0	0	112.4	F385 L386 M402 A409	F385-N412 VanDerWaalsContact CD2-C 3.49Å; F385-N412 HydrophobicContact CD2-CB 4.41Å; L386-N412 PolarHBondContact N-O 3.27Å; M402-N412 HydrophobicContact SD-CB 3.72Å; A409-N412 HydrophobicContact CB-CB 4.08Å; A409-N412 WeakPolarHBondContact O-CB 3.38Å; A409-N412 PolarHBondContact O-N 3.4Å
413	F	93.3	Very high	90.4	Very high	32 Å²	32	40.2 Å²	40.2	14%	0.14	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.2	179.3	79.8	-84	0	0	0	112.2	F385 L386 F390 Y399 G410 Y411 W459	F385-F413 VanDerWaalsContact CZ-O 3.25Å; F385-F413 WeakPolarHBondContact CZ-O 3.17Å; L386-F413 HydrophobicContact CB-CB 4.35Å; L386-F413 CarbonylContact O-C 3.53Å; L386-F413 WeakPolarHBondContact O-CA 3.48Å; F390-F413 HydrophobicContact CD2-CD2 4.13Å; F390-F413 AromaticContact CD2-CE2 3.86Å; F390-F413 HydrophobicContact CD2-CE2 3.86Å; F390-F413 HydrophobicContact CE1-CD2 4.2Å; F390-F413 HydrophobicContact CE2-CD1 4.33Å; F390-F413 AromaticContact CE2-CD2 3.3Å; F390-F413 HydrophobicContact CE2-CD2 3.3Å; F390-F413 HydrophobicContact CE2-CE1 4.21Å; F390-F413 AromaticContact CE2-CE2 3.18Å; F390-F413 HydrophobicContact CE2-CE2 3.18Å; F390-F413 AromaticContact CE2-CG 3.91Å; F390-F413 HydrophobicContact CE2-CG 3.91Å; F390-F413 AromaticContact CE2-CZ 3.67Å; F390-F413 HydrophobicContact CE2-CZ 3.67Å; F390-F413 HydrophobicContact CZ-CB 4.08Å; F390-F413 HydrophobicContact CZ-CD1 4.19Å; F390-F413 AromaticContact CZ-CD2 3.34Å; F390-F413 HydrophobicContact CZ-CD2 3.34Å; F390-F413 AromaticContact CZ-CE2 3.77Å; F390-F413 HydrophobicContact CZ-CE2 3.77Å; F390-F413 AromaticContact CZ-CG 3.59Å; F390-F413 HydrophobicContact CZ-CG 3.59Å; F390-F413 HydrophobicContact CZ-CZ 4.33Å; Y399-F413 HydrophobicContact CD2-CB 4.08Å; Y399-F413 HydrophobicContact CD2-CD1 4.07Å; Y399-F413 HydrophobicContact CD2-CG 4.27Å; Y399-F413 HydrophobicContact CE2-CB 4.26Å; Y399-F413 AromaticContact CE2-CD1 3.43Å; Y399-F413 HydrophobicContact CE2-CD1 3.43Å; Y399-F413 VanDerWaalsContact CE2-CD1 3.43Å; Y399-F413 HydrophobicContact CE2-CE1 4.1Å; Y399-F413 HydrophobicContact CE2-CG 4.08Å; Y399-F413 AromaticContact CZ-CD1 3.89Å; G410-F413 VanDerWaalsContact O-CD1 3.31Å; G410-F413 WeakPolarHBondContact O-CD1 3.32Å; G410-F413 WeakPolarHBondContact O-CE1 3.37Å; Y411-F413 PolarHBondContact O-N 3.47Å; F413-W459 HydrophobicContact CE2-CH2 4.23Å; F413-W459 HydrophobicContact CZ-CH2 4.48Å
414	R	93.1	Very high	89.9	Confident	56 Å²	56	43.3 Å²	43.3	21%	0.211	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	115.6	163.4	180	58.3	165.8	-169.5	-2.7	108.6	E316 F385 L386 V387 C388	E316-R414 HydrophobicContact CB-CB 4.43Å; E316-R414 HydrophobicContact CB-CG 3.88Å; E316-R414 VanDerWaalsContact CD-NE 3.28Å; E316-R414 HydrophobicContact CG-CG 3.59Å; E316-R414 IonicContact OE1-CZ 3.11Å; E316-R414 IonicContact OE1-NE 3.03Å; E316-R414 PolarHBondContact OE1-NE 3.34Å; E316-R414 VanDerWaalsContact OE1-NE 3.11Å; E316-R414 IonicContact OE1-NH2 2.82Å; E316-R414 PolarHBondContact OE1-NH2 3.43Å; E316-R414 IonicContact OE2-NE 2.96Å; E316-R414 PolarHBondContact OE2-NE 3.36Å; F385-R414 HydrophobicContact CE1-CB 3.69Å; F385-R414 HydrophobicContact CZ-CB 3.99Å; L386-R414 PolarHBondContact O-N 3.25Å; V387-R414 WeakPolarHBondContact CA-O 3.22Å; V387-R414 HydrophobicContact CG2-CB 4.42Å; C388-R414 PolarHBondContact N-O 3.48Å
415	S	95.2	Very high	89.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.8	171.1	-177.5	0	0	0	0	109.6	C388 F390 D417 D418 W459	C388-S415 CarbonylContact O-C 3.53Å; C388-S415 VanDerWaalsContact O-CA 3.24Å; C388-S415 WeakPolarHBondContact O-CA 3.39Å; F390-S415 WeakPolarHBondContact CB-OG 3.43Å; F390-S415 PolarHBondContact N-OG 3.31Å; F390-S415 VanDerWaalsContact N-OG 3.08Å; S415-D417 VanDerWaalsContact C-N 3.3Å; S415-D417 PolarHBondContact OG-N 3.01Å; S415-D417 PolarHBondContact OG-OD1 3.36Å; S415-D417 VanDerWaalsContact OG-OD1 3.07Å; S415-D418 WeakPolarHBondContact CB-O 3.47Å; S415-D418 PolarHBondContact OG-N 3.14Å; S415-D418 PolarHBondContact OG-O 3.34Å; S415-W459 PolarHBondContact O-NE1 3.42Å
416	L	93.7	Very high	88.9	Confident	31 Å²	31	44.6 Å²	44.6	16%	0.162	23%	0.229	C	C	.	.	S	Bend	trans	-82.4	-10.8	172.7	-59.1	-173.6	0	0	0	112.7	H308 E312 Y313 E316 C388 T389	H308-L416 HydrophobicContact CB-CD1 3.96Å; E312-L416 HydrophobicContact CB-CD1 3.99Å; Y313-L416 HydrophobicContact CD1-CD1 3.63Å; Y313-L416 HydrophobicContact CD1-CG 4.36Å; Y313-L416 HydrophobicContact CD2-CD1 3.84Å; Y313-L416 HydrophobicContact CE1-CD1 3.55Å; Y313-L416 HydrophobicContact CE1-CG 4.34Å; Y313-L416 HydrophobicContact CE2-CD1 3.76Å; Y313-L416 HydrophobicContact CG-CD1 3.78Å; E316-L416 HydrophobicContact CG-CD2 4.07Å; C388-L416 PolarHBondContact O-N 3.36Å; T389-L416 HydrophobicContact CG2-CB 4.25Å
417	D	92.4	Very high	89	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.182	24%	0.24	C	C	.	.	S	Bend	trans	-134.2	-100	-178.2	57.4	6.6	0	0	0	112	T389 F390 S391 S415 W459	T389-D417 VanDerWaalsContact C-OD1 3.32Å; T389-D417 WeakPolarHBondContact CA-OD1 3.39Å; T389-D417 WeakPolarHBondContact CB-OD1 3.41Å; T389-D417 VanDerWaalsContact CB-OD2 3.24Å; T389-D417 WeakPolarHBondContact CB-OD2 3.14Å; F390-D417 PolarHBondContact N-OD1 2.78Å; S391-D417 WeakPolarHBondContact CB-OD2 3.46Å; S391-D417 PolarHBondContact N-OD1 2.97Å; S391-D417 PolarHBondContact OG-OD2 3.44Å; S415-D417 VanDerWaalsContact C-N 3.3Å; S415-D417 PolarHBondContact OG-N 3.01Å; S415-D417 PolarHBondContact OG-OD1 3.36Å; S415-D417 VanDerWaalsContact OG-OD1 3.07Å; D417-W459 PolarHBondContact O-NE1 2.96Å
418	D	92.8	Very high	89.5	Confident	58 Å²	58	46.4 Å²	46.4	31%	0.31	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-70.6	156.5	-170.1	-69.8	-38.5	0	0	0	112	F390 S391 S415 Y421	F390-D418 HydrophobicContact CB-CB 4.11Å; F390-D418 WeakPolarHBondContact CB-O 3.28Å; S391-D418 WeakPolarHBondContact CA-OD2 3.09Å; S415-D418 WeakPolarHBondContact CB-O 3.47Å; S415-D418 PolarHBondContact OG-N 3.14Å; S415-D418 PolarHBondContact OG-O 3.34Å; D418-Y421 HydrophobicContact CB-CD1 4.17Å; D418-Y421 HydrophobicContact CB-CE1 4Å; D418-Y421 WeakPolarHBondContact OD2-CE1 3.34Å
419	I	93.4	Very high	89.7	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.097	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72.3	168.2	158.3	60.3	173.5	0	0	0	109.9	Y421 V454 N457 W459	I419-Y421 WeakPolarHBondContact O-CD1 3.39Å; I419-Y421 PolarHBondContact O-N 3.19Å; I419-V454 HydrophobicContact CD1-CG1 3.92Å; I419-N457 HydrophobicContact CG2-CB 3.49Å; I419-N457 VanDerWaalsContact CG2-CB 3.49Å; I419-W459 HydrophobicContact CG2-CH2 4.09Å; I419-W459 HydrophobicContact CG2-CZ2 4.01Å
420	Y	94.3	Very high	89.9	Confident	2 Å²	2	44 Å²	44	1%	0.008	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.9	133.4	175.4	174.8	-96	0	0	0	110.5	L238 Y253 A256 F390 R396 Y399 E400	L238-Y420 HydrophobicContact CD2-CE1 4.41Å; Y253-Y420 HydrophobicContact CD1-CD1 4.29Å; Y253-Y420 AromaticContact CE1-CD1 3.35Å; Y253-Y420 HydrophobicContact CE1-CD1 3.35Å; Y253-Y420 AromaticContact CE1-CE1 3.89Å; Y253-Y420 HydrophobicContact CE1-CE1 3.89Å; Y253-Y420 HydrophobicContact CE1-CG 4.19Å; Y253-Y420 AromaticContact CZ-CD1 3.77Å; A256-Y420 HydrophobicContact CB-CE1 4.18Å; F390-Y420 HydrophobicContact CE2-CD2 4.42Å; R396-Y420 HydrophobicContact CB-CE2 4.44Å; Y399-Y420 AromaticContact CD1-CD2 3.54Å; Y399-Y420 HydrophobicContact CD1-CD2 3.54Å; Y399-Y420 AromaticContact CD1-CE2 3.88Å; Y399-Y420 HydrophobicContact CD1-CE2 3.88Å; Y399-Y420 HydrophobicContact CD1-CG 4.35Å; Y399-Y420 AromaticContact CE1-CD2 3.59Å; Y399-Y420 HydrophobicContact CE1-CD2 3.59Å; Y399-Y420 HydrophobicContact CE1-CE2 4.09Å; Y399-Y420 AromaticContact CE1-CG 3.94Å; Y399-Y420 HydrophobicContact CE1-CG 3.94Å; E400-Y420 HydrophobicContact CG-CE2 3.83Å; E400-Y420 VanDerWaalsContact OE1-CE2 3.29Å; E400-Y420 WeakPolarHBondContact OE1-CE2 3.21Å; E400-Y420 PolarHBondContact OE1-OH 2.73Å
421	Y	92.4	Very high	90.2	Very high	67 Å²	67	46.5 Å²	46.5	26%	0.263	24%	0.236	S	C	.	.			trans	-148	155.6	173.8	73.2	-87.8	0	0	0	111.6	F390 S391 R396 D418 I419	F390-Y421 VanDerWaalsContact O-CE1 3.25Å; F390-Y421 WeakPolarHBondContact O-CE1 3.27Å; S391-Y421 PolarHBondContact O-OH 2.99Å; R396-Y421 WeakPolarHBondContact CD-O 3.49Å; R396-Y421 PolarHBondContact NE-O 3.45Å; R396-Y421 PolarHBondContact NH1-OH 3.33Å; R396-Y421 VanDerWaalsContact NH2-CE2 3.26Å; R396-Y421 VanDerWaalsContact NH2-CZ 3.29Å; R396-Y421 PolarHBondContact NH2-OH 2.93Å; D418-Y421 HydrophobicContact CB-CD1 4.17Å; D418-Y421 HydrophobicContact CB-CE1 4Å; D418-Y421 WeakPolarHBondContact OD2-CE1 3.34Å; I419-Y421 WeakPolarHBondContact O-CD1 3.39Å; I419-Y421 PolarHBondContact O-N 3.19Å
422	Y	90.1	Very high	90.6	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.02	20%	0.204	C	C	.	.			trans	-110	129.3	172.1	-162.3	-86.2	0	0	0	110.3	H167 T170 Y171 T259 G424 Q425	H167-Y422 HydrophobicContact CB-CE2 4.25Å; H167-Y422 PolarHBondContact O-OH 3.38Å; T170-Y422 WeakPolarHBondContact CB-OH 3.44Å; T170-Y422 HydrophobicContact CG2-CE2 4.47Å; Y171-Y422 PolarHBondContact N-OH 3.08Å; Y171-Y422 VanDerWaalsContact N-OH 3.14Å; T259-Y422 HydrophobicContact CG2-CD2 4.13Å; T259-Y422 HydrophobicContact CG2-CE2 3.79Å; Y422-G424 PolarHBondContact O-N 3.09Å; Y422-Q425 WeakPolarHBondContact O-CB 3.5Å; Y422-Q425 WeakPolarHBondContact O-CG 3.47Å; Y422-Q425 PolarHBondContact O-N 2.93Å
423	G	87.3	Confident	90.8	Very high	42 Å²	42	38 Å²	38	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	124.4	-178.4	0	0	0	0	0	112
424	G	82.5	Confident	91	Very high	64 Å²	64	40.9 Å²	40.9	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	13.6	-175.4	0	0	0	0	0	114.4	C235 Y422	C235-G424 PolarHBondContact SG-O 3.27Å; Y422-G424 PolarHBondContact O-N 3.09Å
425	Q	82.7	Confident	91.1	Very high	46 Å²	46	43.1 Å²	43.1	22%	0.215	23%	0.234	C	C	.	.			trans	-67.1	156.5	177.4	69.5	-177.9	25.1	0	0	114.7	S237 L238 Y422	S237-Q425 VanDerWaalsContact CB-CA 3.49Å; S237-Q425 WeakPolarHBondContact OG-CA 3.43Å; S237-Q425 WeakPolarHBondContact OG-CB 3.29Å; L238-Q425 HydrophobicContact CD1-CB 4.25Å; Y422-Q425 WeakPolarHBondContact O-CB 3.5Å; Y422-Q425 WeakPolarHBondContact O-CG 3.47Å; Y422-Q425 PolarHBondContact O-N 2.93Å
426	R	79.7	Confident	91.2	Very high	122 Å²	122	43.4 Å²	43.4	46%	0.46	24%	0.236	S	C	.	.			trans	-66.5	156.4	164.1	-62.5	-164.9	172.7	-175.3	-4.8	109.6	C235 S237 H428	C235-R426 HydrophobicContact CB-CG 3.39Å; S237-R426 PolarHBondContact OG-N 3.33Å; R426-H428 PolarHBondContact O-N 2.9Å
427	E	83.1	Confident	91.3	Very high	98 Å²	98	47.6 Å²	47.6	46%	0.458	26%	0.262	S	S	.	.			trans	-43.8	122.7	173.8	-174.8	179.7	67.3	0	0	111.9	T429 A453 M468	E427-T429 HydrophobicContact CG-CG2 4.07Å; E427-T429 PolarHBondContact O-N 2.92Å; E427-A453 VanDerWaalsContact CD-CB 3.4Å; E427-A453 HydrophobicContact CG-CB 3.72Å; E427-A453 WeakPolarHBondContact OE2-CB 3.38Å; E427-M468 WeakPolarHBondContact OE1-CE 3.49Å
428	H	88.3	Confident	91.5	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.056	27%	0.269	C	S	.	.			trans	-79.4	112.7	176.6	-171.9	180	0	0	0	108.2	Y253 R426 W430 V454 E483	Y253-H428 PolarHBondContact OH-CE1 3.07Å; R426-H428 PolarHBondContact O-N 2.9Å; H428-W430 AromaticContact CD2-CD1 3.91Å; H428-W430 AromaticContact CD2-NE1 3.85Å; H428-W430 AromaticContact CE1-NE1 3.52Å; H428-W430 AromaticContact NE2-CD1 3.63Å; H428-W430 AromaticContact NE2-NE1 3.21Å; H428-W430 PolarHBondContact NE2-NE1 2.91Å; H428-V454 PolarHBondContact O-N 2.91Å; H428-E483 IonicContact CE1-OE1 3.4Å; H428-E483 PolarHBondContact CE1-OE1 3Å; H428-E483 IonicContact NE2-OE1 3.77Å
429	T	91.4	Very high	91.5	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.4	-175.7	54.5	0	0	0	0	112	E427 I452 M468 T484	E427-T429 HydrophobicContact CG-CG2 4.07Å; E427-T429 PolarHBondContact O-N 2.92Å; T429-I452 CarbonylContact C-O 3.44Å; T429-I452 VanDerWaalsContact CA-O 3.26Å; T429-I452 WeakPolarHBondContact CA-O 3.37Å; T429-M468 HydrophobicContact CG2-SD 4.27Å; T429-T484 WeakPolarHBondContact O-CB 3.28Å; T429-T484 PolarHBondContact O-N 3.28Å; T429-T484 VanDerWaalsContact O-N 3.07Å; T429-T484 PolarHBondContact O-OG1 2.95Å; T429-T484 PolarHBondContact OG1-OG1 3.49Å
430	W	94	Very high	91.5	Very high	13 Å²	13	61.1 Å²	61.1	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	160.7	167.9	-67.3	5.6	0	0	0	110.5	H428 R451 I452 V454 F476 T478 V482 E483	H428-W430 AromaticContact CD2-CD1 3.91Å; H428-W430 AromaticContact CD2-NE1 3.85Å; H428-W430 AromaticContact CE1-NE1 3.52Å; H428-W430 AromaticContact NE2-CD1 3.63Å; H428-W430 AromaticContact NE2-NE1 3.21Å; H428-W430 PolarHBondContact NE2-NE1 2.91Å; W430-R451 CarbonylContact O-C 3.52Å; W430-R451 WeakPolarHBondContact O-CA 3.36Å; W430-I452 PolarHBondContact N-O 2.89Å; W430-I452 PolarHBondContact O-N 3.41Å; W430-V454 HydrophobicContact CB-CG2 3.8Å; W430-V454 HydrophobicContact CD2-CB 4.41Å; W430-V454 HydrophobicContact CD2-CG1 4.47Å; W430-V454 HydrophobicContact CD2-CG2 3.45Å; W430-V454 VanDerWaalsContact CD2-CG2 3.45Å; W430-V454 HydrophobicContact CE3-CG2 3.8Å; W430-V454 HydrophobicContact CG-CG2 3.4Å; W430-V454 HydrophobicContact CH2-CG1 4.47Å; W430-V454 HydrophobicContact CZ2-CG1 4.27Å; W430-F476 AromaticContact CE3-CE2 3.96Å; W430-F476 HydrophobicContact CE3-CE2 3.96Å; W430-F476 HydrophobicContact CE3-CZ 4.15Å; W430-F476 HydrophobicContact CZ3-CE2 4.11Å; W430-F476 HydrophobicContact CZ3-CZ 4.34Å; W430-T478 HydrophobicContact CH2-CG2 3.98Å; W430-T478 HydrophobicContact CZ3-CG2 3.84Å; W430-V482 CarbonylContact C-O 3.54Å; W430-V482 WeakPolarHBondContact CA-O 3.08Å; W430-V482 WeakPolarHBondContact CB-O 3.32Å; W430-E483 HydrophobicContact CD2-CG 4.44Å; W430-E483 HydrophobicContact CZ2-CG 4.25Å; W430-E483 PolarHBondContact NE1-OE1 3.32Å
431	L	95.3	Very high	91.5	Very high	54 Å²	54	67.4 Å²	67.4	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.6	178.4	-176.2	73.6	0	0	0	109.7	V433 G449 D450 R451 T481 V482 T484	L431-V433 PolarHBondContact O-N 3.43Å; L431-G449 WeakPolarHBondContact CD1-O 3.44Å; L431-D450 WeakPolarHBondContact CA-O 3.3Å; L431-R451 HydrophobicContact CD1-CG 4.48Å; L431-T481 CarbonylContact O-C 3.59Å; L431-T481 VanDerWaalsContact O-CA 3.22Å; L431-T481 WeakPolarHBondContact O-CA 3.48Å; L431-V482 HydrophobicContact CB-CG2 4.11Å; L431-V482 PolarHBondContact N-O 3.25Å; L431-V482 PolarHBondContact O-N 3.02Å; L431-T484 HydrophobicContact CB-CG2 3.53Å
432	A	96.9	Very high	91.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	122.1	169.4	0	0	0	0	0	110.2	L446 R447 R448 G449 D450 I452	A432-L446 HydrophobicContact CB-CB 4.21Å; A432-L446 HydrophobicContact CB-CD1 4.48Å; A432-R447 VanDerWaalsContact CB-O 3.26Å; A432-R447 WeakPolarHBondContact CB-O 3.32Å; A432-R448 WeakPolarHBondContact O-CA 3.16Å; A432-G449 PolarHBondContact O-N 2.96Å; A432-D450 HydrophobicContact CB-CB 4.08Å; A432-D450 PolarHBondContact N-O 3.28Å; A432-I452 HydrophobicContact CB-CD1 3.99Å
433	V	95.7	Very high	92	Very high	40 Å²	40	68.2 Å²	68.2	24%	0.242	37%	0.368	C	S	.	.			trans	-103.7	-12.2	175	-67.8	0	0	0	0	112.5	L431 R448 K480 V482	L431-V433 PolarHBondContact O-N 3.43Å; V433-R448 PolarHBondContact O-NE 3.06Å; V433-R448 PolarHBondContact O-NH2 2.99Å; V433-K480 VanDerWaalsContact CG2-O 3.3Å; V433-K480 WeakPolarHBondContact CG2-O 3.19Å; V433-K480 PolarHBondContact N-O 2.87Å; V433-V482 HydrophobicContact CG1-CB 4.35Å; V433-V482 HydrophobicContact CG1-CG1 3.85Å; V433-V482 HydrophobicContact CG1-CG2 3.63Å; V433-V482 HydrophobicContact CG2-CG1 4.11Å
434	M	96.1	Very high	92.5	Very high	92 Å²	92	66.3 Å²	66.3	45%	0.453	35%	0.348	S	S	.	.	S	Bend	trans	-137.1	151.7	176.6	-61.1	-179.6	-167.6	0	0	110.3	Y479 K480	M434-Y479 HydrophobicContact SD-CD2 4.39Å; M434-Y479 HydrophobicContact SD-CE2 4.05Å; M434-K480 HydrophobicContact CB-CB 4.11Å; M434-K480 HydrophobicContact CB-CD 4.41Å; M434-K480 HydrophobicContact CB-CG 4.06Å; M434-K480 PolarHBondContact N-O 3.39Å; M434-K480 HydrophobicContact SD-CG 4.34Å
435	D	96.8	Very high	93.2	Very high	102 Å²	102	66.2 Å²	66.2	55%	0.545	33%	0.33	S	S	.	.			trans	-74	152.1	174.8	-62.2	-10.9	0	0	0	111.2	L446 R447 R448 K480	D435-L446 CarbonylContact C-O 3.57Å; D435-L446 VanDerWaalsContact CA-O 3.29Å; D435-L446 WeakPolarHBondContact CA-O 3.38Å; D435-R447 WeakPolarHBondContact OD1-CA 3.35Å; D435-R448 PolarHBondContact OD1-N 2.91Å; D435-K480 PolarHBondContact O-NZ 3.32Å
436	H	96.7	Very high	93.9	Very high	6 Å²	6	64 Å²	64	3%	0.028	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-140.8	119.2	173	-178.4	32.8	0	0	0	110.2	E443 I444 E445 L446 P477 K480	H436-E443 IonicContact CE1-OE2 2.73Å; H436-E443 PolarHBondContact CE1-OE2 2.71Å; H436-E443 VanDerWaalsContact CE1-OE2 3.22Å; H436-E443 IonicContact NE2-OE2 3.46Å; H436-E443 PolarHBondContact NE2-OE2 2.8Å; H436-I444 PolarHBondContact CD2-O 2.89Å; H436-E445 WeakPolarHBondContact O-CA 3.27Å; H436-L446 HydrophobicContact CB-CB 3.79Å; H436-L446 HydrophobicContact CB-CD1 4.16Å; H436-L446 HydrophobicContact CB-CG 3.95Å; H436-L446 PolarHBondContact N-O 2.9Å; H436-L446 PolarHBondContact O-N 2.82Å; H436-P477 WeakPolarHBondContact CD2-CD 3.21Å; H436-P477 VanDerWaalsContact NE2-CD 3.28Å; H436-P477 WeakPolarHBondContact NE2-CD 3.5Å; H436-K480 HydrophobicContact CB-CD 3.86Å; H436-K480 PolarHBondContact ND1-NZ 3.13Å
437	V	96.6	Very high	94.7	Very high	119 Å²	119	64.6 Å²	64.6	72%	0.721	32%	0.322	S	S	*	.			trans	-89.4	123.3	164.1	-176	0	0	0	0	107.6	R439	V437-R439 PolarHBondContact O-N 3.43Å
438	P	95.6	Very high	95.4	Very high	49 Å²	49	69 Å²	69	32%	0.318	34%	0.335	S	S	.	.			trans	-56.2	132.6	175.7	-28.5	38.6	0	0	0	111.4	E443 I444 E445	P438-E443 HydrophobicContact CB-CB 3.83Å; P438-I444 VanDerWaalsContact CG-C 3.45Å; P438-E445 HydrophobicContact CG-CB 4.2Å; P438-E445 VanDerWaalsContact CG-N 3.33Å
439	R	93.8	Very high	95.8	Very high	215 Å²	215	70.6 Å²	70.6	81%	0.811	36%	0.355	S	S	*	.	S	Bend	trans	-95.4	-19.9	172.9	-63	-179	179.1	-178	0.4	112.3	V437 E443	V437-R439 PolarHBondContact O-N 3.43Å; R439-E443 PolarHBondContact N-OE2 3.3Å
440	K	92.9	Very high	96.1	Very high	132 Å²	132	71.1 Å²	71.1	57%	0.574	36%	0.358	S	S	*	.	S	Bend	trans	-132.4	162.7	-178.7	-60.9	177.9	-173.3	173.3	0	110.2	D442 E443	K440-D442 WeakPolarHBondContact CB-OD1 3.31Å; K440-D442 PolarHBondContact O-N 2.83Å; K440-E443 HydrophobicContact CB-CG 4.25Å; K440-E443 WeakPolarHBondContact CG-OE1 3.47Å; K440-E443 PolarHBondContact O-N 3.42Å
441	S	93.6	Very high	96.2	Very high	134 Å²	134	76.8 Å²	76.8	94%	0.937	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18	-179	52.3	0	0	0	0	114.2
442	D	95.2	Very high	96.3	Very high	75 Å²	75	74.2 Å²	74.2	40%	0.401	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.2	176.8	62.9	-27.2	0	0	0	113.3	K440 G474 L475	K440-D442 WeakPolarHBondContact CB-OD1 3.31Å; K440-D442 PolarHBondContact O-N 2.83Å; D442-G474 CarbonylContact O-C 3.47Å; D442-G474 WeakPolarHBondContact O-CA 3.48Å; D442-L475 PolarHBondContact O-N 3.29Å; D442-L475 WeakPolarHBondContact OD2-CD1 3.44Å
443	E	97.5	Very high	96.2	Very high	13 Å²	13	74.7 Å²	74.7	6%	0.061	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-93.3	151.8	177.5	-68.5	170.9	-150	0	0	111.9	H436 P438 R439 K440 Y462 L475	H436-E443 IonicContact CE1-OE2 2.73Å; H436-E443 PolarHBondContact CE1-OE2 2.71Å; H436-E443 VanDerWaalsContact CE1-OE2 3.22Å; H436-E443 IonicContact NE2-OE2 3.46Å; H436-E443 PolarHBondContact NE2-OE2 2.8Å; P438-E443 HydrophobicContact CB-CB 3.83Å; R439-E443 PolarHBondContact N-OE2 3.3Å; K440-E443 HydrophobicContact CB-CG 4.25Å; K440-E443 WeakPolarHBondContact CG-OE1 3.47Å; K440-E443 PolarHBondContact O-N 3.42Å; E443-Y462 HydrophobicContact CG-CE1 4.36Å; E443-L475 CarbonylContact C-O 3.6Å; E443-L475 WeakPolarHBondContact CA-O 3.43Å; E443-L475 HydrophobicContact CG-CB 4.3Å
444	I	97.5	Very high	96.1	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.01	36%	0.363	C	S	.	.			trans	-108.4	144	178.3	62.1	-178	0	0	0	112.7	H436 P438 L446 N467 V472 S473 G474 L475 F476	H436-I444 PolarHBondContact CD2-O 2.89Å; P438-I444 VanDerWaalsContact CG-C 3.45Å; I444-L446 HydrophobicContact CD1-CD2 4.15Å; I444-L446 HydrophobicContact CG1-CD2 4.09Å; I444-L446 PolarHBondContact O-N 3.4Å; I444-N467 HydrophobicContact CD1-CB 4.11Å; I444-V472 HydrophobicContact CG2-CB 4.36Å; I444-V472 HydrophobicContact CG2-CG1 3.85Å; I444-S473 VanDerWaalsContact CG2-C 3.47Å; I444-G474 VanDerWaalsContact CG2-N 3.31Å; I444-L475 PolarHBondContact N-O 2.94Å; I444-F476 HydrophobicContact CD1-CB 4.45Å; I444-F476 HydrophobicContact CD1-CD1 3.74Å; I444-F476 HydrophobicContact CD1-CE1 4.5Å; I444-F476 HydrophobicContact CD1-CG 4.43Å; I444-F476 HydrophobicContact CG1-CB 4.03Å; I444-F476 HydrophobicContact CG1-CD1 4.2Å
445	E	97.8	Very high	96	Very high	62 Å²	62	72.7 Å²	72.7	29%	0.29	37%	0.37	S	S	.	.			trans	-65.9	132	171.9	-171.4	-154.6	-163	0	0	109.1	H436 P438 R447 N467 R469	H436-E445 WeakPolarHBondContact O-CA 3.27Å; P438-E445 HydrophobicContact CG-CB 4.2Å; P438-E445 VanDerWaalsContact CG-N 3.33Å; E445-R447 IonicContact OE1-CZ 2.99Å; E445-R447 IonicContact OE1-NE 2.82Å; E445-R447 PolarHBondContact OE1-NE 2.86Å; E445-R447 IonicContact OE1-NH2 3.88Å; E445-R447 PolarHBondContact OE1-NH2 3.35Å; E445-R447 IonicContact OE2-NE 3.74Å; E445-N467 PolarHBondContact O-ND2 3.39Å; E445-R469 IonicContact OE2-CZ 3.93Å; E445-R469 IonicContact OE2-NH1 2.82Å; E445-R469 PolarHBondContact OE2-NH1 2.91Å; E445-R469 IonicContact OE2-NH2 3.57Å; E445-R469 PolarHBondContact OE2-NH2 3.36Å
446	L	97.8	Very high	95.8	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-116.5	137.7	167.7	-55.8	-177.7	0	0	0	109.7	A432 D435 H436 I444 I452 F476 K480 T481	A432-L446 HydrophobicContact CB-CB 4.21Å; A432-L446 HydrophobicContact CB-CD1 4.48Å; D435-L446 CarbonylContact C-O 3.57Å; D435-L446 VanDerWaalsContact CA-O 3.29Å; D435-L446 WeakPolarHBondContact CA-O 3.38Å; H436-L446 HydrophobicContact CB-CB 3.79Å; H436-L446 HydrophobicContact CB-CD1 4.16Å; H436-L446 HydrophobicContact CB-CG 3.95Å; H436-L446 PolarHBondContact N-O 2.9Å; H436-L446 PolarHBondContact O-N 2.82Å; I444-L446 HydrophobicContact CD1-CD2 4.15Å; I444-L446 HydrophobicContact CG1-CD2 4.09Å; I444-L446 PolarHBondContact O-N 3.4Å; L446-I452 HydrophobicContact CD2-CD1 4.08Å; L446-I452 HydrophobicContact CD2-CG1 3.82Å; L446-F476 HydrophobicContact CD1-CB 3.84Å; L446-F476 HydrophobicContact CD1-CD2 4.15Å; L446-F476 HydrophobicContact CD1-CG 4.22Å; L446-F476 HydrophobicContact CD2-CB 4.47Å; L446-F476 HydrophobicContact CG-CB 4.26Å; L446-K480 HydrophobicContact CD1-CB 4.39Å; L446-T481 HydrophobicContact CD1-CG2 4.1Å
447	R	97.3	Very high	95.6	Very high	133 Å²	133	69.2 Å²	69.2	50%	0.502	36%	0.355	S	S	.	.			trans	-116	143.7	162.8	-64.3	-177.6	-174.6	-167.8	-0.3	109.1	A432 D435 E445 G449 D450	A432-R447 VanDerWaalsContact CB-O 3.26Å; A432-R447 WeakPolarHBondContact CB-O 3.32Å; D435-R447 WeakPolarHBondContact OD1-CA 3.35Å; E445-R447 IonicContact OE1-CZ 2.99Å; E445-R447 IonicContact OE1-NE 2.82Å; E445-R447 PolarHBondContact OE1-NE 2.86Å; E445-R447 IonicContact OE1-NH2 3.88Å; E445-R447 PolarHBondContact OE1-NH2 3.35Å; E445-R447 IonicContact OE2-NE 3.74Å; R447-G449 PolarHBondContact O-N 3.35Å; R447-D450 PolarHBondContact N-OD2 3.41Å; R447-D450 WeakPolarHBondContact O-CB 3.44Å; R447-D450 PolarHBondContact O-N 3.14Å
448	R	96.9	Very high	95.4	Very high	190 Å²	190	68 Å²	68	72%	0.717	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	125.7	174.6	174.8	-179.4	-95.2	-168.5	-5.8	109.5	A432 V433 D435	A432-R448 WeakPolarHBondContact O-CA 3.16Å; V433-R448 PolarHBondContact O-NE 3.06Å; V433-R448 PolarHBondContact O-NH2 2.99Å; D435-R448 PolarHBondContact OD1-N 2.91Å
449	G	96	Very high	95.1	Very high	47 Å²	47	68.9 Å²	68.9	49%	0.485	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-14	-176.1	0	0	0	0	0	114.7	L431 A432 R447	L431-G449 WeakPolarHBondContact CD1-O 3.44Å; A432-G449 PolarHBondContact O-N 2.96Å; R447-G449 PolarHBondContact O-N 3.35Å
450	D	97.5	Very high	95	Very high	14 Å²	14	63.6 Å²	63.6	8%	0.075	33%	0.326	C	S	.	.			trans	-60.8	142.4	174.9	-74.6	-11.3	0	0	0	110.6	L431 A432 R447 I452 N467 R469	L431-D450 WeakPolarHBondContact CA-O 3.3Å; A432-D450 HydrophobicContact CB-CB 4.08Å; A432-D450 PolarHBondContact N-O 3.28Å; R447-D450 PolarHBondContact N-OD2 3.41Å; R447-D450 WeakPolarHBondContact O-CB 3.44Å; R447-D450 PolarHBondContact O-N 3.14Å; D450-I452 WeakPolarHBondContact O-CD1 3.29Å; D450-N467 PolarHBondContact OD2-ND2 2.94Å; D450-R469 VanDerWaalsContact CG-NE 3.27Å; D450-R469 VanDerWaalsContact OD1-CD 3.28Å; D450-R469 WeakPolarHBondContact OD1-CD 3.38Å; D450-R469 IonicContact OD1-CZ 3.94Å; D450-R469 IonicContact OD1-NE 3.34Å; D450-R469 PolarHBondContact OD1-NE 3.28Å; D450-R469 IonicContact OD2-CZ 2.71Å; D450-R469 IonicContact OD2-NE 3.57Å; D450-R469 PolarHBondContact OD2-NE 3.4Å; D450-R469 IonicContact OD2-NH2 3.27Å; D450-R469 PolarHBondContact OD2-NH2 2.89Å
451	R	96.5	Very high	94.9	Very high	131 Å²	131	59.3 Å²	59.3	49%	0.494	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.4	171.7	-68.5	179.7	178.7	-89.5	-1.8	109.2	W430 L431 M468	W430-R451 CarbonylContact O-C 3.52Å; W430-R451 WeakPolarHBondContact O-CA 3.36Å; L431-R451 HydrophobicContact CD1-CG 4.48Å; R451-M468 HydrophobicContact CB-CB 4.37Å; R451-M468 HydrophobicContact CB-CG 4.21Å; R451-M468 HydrophobicContact CB-SD 3.66Å; R451-M468 WeakPolarHBondContact O-CB 3.41Å; R451-M468 VanDerWaalsContact O-CG 3.3Å; R451-M468 WeakPolarHBondContact O-CG 3.43Å; R451-M468 PolarHBondContact O-N 2.89Å
452	I	96.9	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.8	-179.9	-56.2	78.7	0	0	0	107.9	T429 W430 A432 L446 D450 V454 T466 F476 T481	T429-I452 CarbonylContact C-O 3.44Å; T429-I452 VanDerWaalsContact CA-O 3.26Å; T429-I452 WeakPolarHBondContact CA-O 3.37Å; W430-I452 PolarHBondContact N-O 2.89Å; W430-I452 PolarHBondContact O-N 3.41Å; A432-I452 HydrophobicContact CB-CD1 3.99Å; L446-I452 HydrophobicContact CD2-CD1 4.08Å; L446-I452 HydrophobicContact CD2-CG1 3.82Å; D450-I452 WeakPolarHBondContact O-CD1 3.29Å; I452-V454 HydrophobicContact CB-CG2 4.45Å; I452-V454 HydrophobicContact CG2-CG2 4.14Å; I452-V454 PolarHBondContact O-N 3.3Å; I452-T466 WeakPolarHBondContact CA-O 3.41Å; I452-F476 HydrophobicContact CG2-CD1 4.33Å; I452-F476 HydrophobicContact CG2-CE1 3.6Å; I452-F476 HydrophobicContact CG2-CZ 3.81Å; I452-T481 HydrophobicContact CD1-CG2 3.87Å; I452-T481 HydrophobicContact CG1-CG2 4.5Å
453	A	95.4	Very high	95	Very high	12 Å²	12	52.4 Å²	52.4	10%	0.099	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	104.4	167	0	0	0	0	0	108.1	E427 G465 T466	E427-A453 VanDerWaalsContact CD-CB 3.4Å; E427-A453 HydrophobicContact CG-CB 3.72Å; E427-A453 WeakPolarHBondContact OE2-CB 3.38Å; A453-G465 CarbonylContact O-C 3.5Å; A453-G465 WeakPolarHBondContact O-CA 3.37Å; A453-T466 PolarHBondContact N-O 3.29Å; A453-T466 PolarHBondContact O-N 3.48Å
454	V	94.5	Very high	95	Very high	17 Å²	17	56.8 Å²	56.8	10%	0.103	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130	-171.2	179.8	0	0	0	0	110.4	I419 H428 W430 I452 F476	I419-V454 HydrophobicContact CD1-CG1 3.92Å; H428-V454 PolarHBondContact O-N 2.91Å; W430-V454 HydrophobicContact CB-CG2 3.8Å; W430-V454 HydrophobicContact CD2-CB 4.41Å; W430-V454 HydrophobicContact CD2-CG1 4.47Å; W430-V454 HydrophobicContact CD2-CG2 3.45Å; W430-V454 VanDerWaalsContact CD2-CG2 3.45Å; W430-V454 HydrophobicContact CE3-CG2 3.8Å; W430-V454 HydrophobicContact CG-CG2 3.4Å; W430-V454 HydrophobicContact CH2-CG1 4.47Å; W430-V454 HydrophobicContact CZ2-CG1 4.27Å; I452-V454 HydrophobicContact CB-CG2 4.45Å; I452-V454 HydrophobicContact CG2-CG2 4.14Å; I452-V454 PolarHBondContact O-N 3.3Å; V454-F476 HydrophobicContact CG2-CZ 4.23Å
455	A	93.5	Very high	95	Very high	73 Å²	73	56.8 Å²	56.8	60%	0.603	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-36.4	174.8	0	0	0	0	0	111.7	K464	A455-K464 PolarHBondContact N-O 3.16Å
456	G	93.2	Very high	95	Very high	11 Å²	11	56 Å²	56	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	174.7	179	0	0	0	0	0	113.3	S463 K464	G456-S463 WeakPolarHBondContact O-CA 3.44Å; G456-S463 WeakPolarHBondContact O-CB 3.47Å; G456-K464 PolarHBondContact N-O 2.89Å; G456-K464 PolarHBondContact O-N 3.3Å
457	N	92.6	Very high	95	Very high	24 Å²	24	56 Å²	56	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.3	176	-172.1	-26.9	0	0	0	107.7	I419 W459 Y462	I419-N457 HydrophobicContact CG2-CB 3.49Å; I419-N457 VanDerWaalsContact CG2-CB 3.49Å; N457-W459 HydrophobicContact CB-CD2 4.19Å; N457-W459 HydrophobicContact CB-CE3 4.15Å; N457-W459 HydrophobicContact CB-CH2 4.16Å; N457-W459 HydrophobicContact CB-CZ2 4.17Å; N457-W459 HydrophobicContact CB-CZ3 4.14Å; N457-W459 PolarHBondContact O-N 3.42Å; N457-W459 PolarHBondContact O-NE1 2.88Å; N457-W459 WeakPolarHBondContact OD1-CA 3.39Å; N457-W459 PolarHBondContact OD1-N 2.83Å; N457-Y462 PolarHBondContact OD1-O 3.47Å
458	H	92.3	Very high	94.9	Very high	92 Å²	92	53.9 Å²	53.9	43%	0.426	28%	0.283	S	S	.	.			trans	-83.4	-3.1	179.6	-72.9	-167.9	0	0	0	112.8	D460 Y462 L475	H458-D460 WeakPolarHBondContact CB-OD1 3.25Å; H458-D460 PolarHBondContact O-N 3.25Å; H458-D460 VanDerWaalsContact O-N 3.13Å; H458-Y462 PolarHBondContact N-O 2.89Å; H458-L475 VanDerWaalsContact CE1-CD2 3.42Å; H458-L475 WeakPolarHBondContact CE1-CD2 3.48Å
459	W	89.4	Confident	94.9	Very high	68 Å²	68	49.8 Å²	49.8	26%	0.258	27%	0.268	S	S	.	.	S	Bend	trans	63.1	16.7	176.5	-50.9	115.7	0	0	0	115	F413 S415 D417 I419 N457	F413-W459 HydrophobicContact CE2-CH2 4.23Å; F413-W459 HydrophobicContact CZ-CH2 4.48Å; S415-W459 PolarHBondContact O-NE1 3.42Å; D417-W459 PolarHBondContact O-NE1 2.96Å; I419-W459 HydrophobicContact CG2-CH2 4.09Å; I419-W459 HydrophobicContact CG2-CZ2 4.01Å; N457-W459 HydrophobicContact CB-CD2 4.19Å; N457-W459 HydrophobicContact CB-CE3 4.15Å; N457-W459 HydrophobicContact CB-CH2 4.16Å; N457-W459 HydrophobicContact CB-CZ2 4.17Å; N457-W459 HydrophobicContact CB-CZ3 4.14Å; N457-W459 PolarHBondContact O-N 3.42Å; N457-W459 PolarHBondContact O-NE1 2.88Å; N457-W459 WeakPolarHBondContact OD1-CA 3.39Å; N457-W459 PolarHBondContact OD1-N 2.83Å
460	D	90.4	Very high	94.9	Very high	104 Å²	104	49.9 Å²	49.9	56%	0.556	26%	0.259	S	S	*	.	S	Bend	trans	-115.2	8.8	-179.3	65.3	-0.7	0	0	0	112.9	H458 Y462	H458-D460 WeakPolarHBondContact CB-OD1 3.25Å; H458-D460 PolarHBondContact O-N 3.25Å; H458-D460 VanDerWaalsContact O-N 3.13Å; D460-Y462 PolarHBondContact OD1-N 2.89Å
461	G	91	Very high	94.8	Very high	43 Å²	43	53.9 Å²	53.9	44%	0.443	29%	0.288	S	S	.	.	S	Bend	trans	101.5	-12.2	-174.4	0	0	0	0	0	114.1	P477 T478	G461-P477 WeakPolarHBondContact O-CA 3.36Å; G461-T478 PolarHBondContact O-N 3.02Å; G461-T478 PolarHBondContact O-OG1 3.34Å
462	Y	95.7	Very high	94.8	Very high	64 Å²	64	51.2 Å²	51.2	25%	0.251	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	151.3	174.9	-70.1	-100.2	0	0	0	112	E443 N457 H458 D460 L475 F476 P477 T478	E443-Y462 HydrophobicContact CG-CE1 4.36Å; N457-Y462 PolarHBondContact OD1-O 3.47Å; H458-Y462 PolarHBondContact N-O 2.89Å; D460-Y462 PolarHBondContact OD1-N 2.89Å; Y462-L475 HydrophobicContact CD1-CB 4.12Å; Y462-F476 CarbonylContact C-O 3.6Å; Y462-F476 WeakPolarHBondContact CA-O 3.36Å; Y462-P477 HydrophobicContact CD1-CG 4.32Å; Y462-P477 HydrophobicContact CE1-CG 3.8Å; Y462-T478 VanDerWaalsContact C-OG1 3.23Å
463	S	96.6	Very high	94.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159.6	169.5	-68.9	0	0	0	0	109.4	G456 L475 F476 T478	G456-S463 WeakPolarHBondContact O-CA 3.44Å; G456-S463 WeakPolarHBondContact O-CB 3.47Å; S463-L475 CarbonylContact O-C 3.57Å; S463-L475 VanDerWaalsContact O-CA 3.29Å; S463-L475 WeakPolarHBondContact O-CA 3.48Å; S463-F476 VanDerWaalsContact CB-CZ 3.48Å; S463-F476 PolarHBondContact N-O 3.39Å; S463-F476 WeakPolarHBondContact O-CD1 3.32Å; S463-F476 PolarHBondContact O-N 3.35Å; S463-T478 PolarHBondContact N-OG1 2.92Å; S463-T478 PolarHBondContact OG-OG1 3.2Å
464	K	96.9	Very high	95	Very high	104 Å²	104	54.6 Å²	54.6	45%	0.452	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.9	176.7	-171	175.3	-178.6	177.6	0	110.2	A455 G456 G474 L475	A455-K464 PolarHBondContact N-O 3.16Å; G456-K464 PolarHBondContact N-O 2.89Å; G456-K464 PolarHBondContact O-N 3.3Å; K464-G474 WeakPolarHBondContact CA-O 3.44Å; K464-L475 HydrophobicContact CB-CD2 3.98Å; K464-L475 HydrophobicContact CG-CD2 4.29Å
465	G	96.9	Very high	95.1	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-176.5	178.5	0	0	0	0	0	112.5	A453 S473 G474	A453-G465 CarbonylContact O-C 3.5Å; A453-G465 WeakPolarHBondContact O-CA 3.37Å; G465-S473 CarbonylContact O-C 3.41Å; G465-S473 VanDerWaalsContact O-CA 3.25Å; G465-S473 WeakPolarHBondContact O-CA 3.5Å; G465-G474 PolarHBondContact N-O 3.25Å; G465-G474 VanDerWaalsContact N-O 3.08Å; G465-G474 PolarHBondContact O-N 3.31Å
466	T	97.7	Very high	95.3	Very high	46 Å²	46	51.6 Å²	51.6	28%	0.282	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.3	-179.9	-52.9	0	0	0	0	109.4	I452 A453 M468 V472 S473	I452-T466 WeakPolarHBondContact CA-O 3.41Å; A453-T466 PolarHBondContact N-O 3.29Å; A453-T466 PolarHBondContact O-N 3.48Å; T466-M468 PolarHBondContact O-N 2.91Å; T466-V472 WeakPolarHBondContact CA-O 3.29Å; T466-S473 PolarHBondContact OG1-OG 3.27Å
467	N	97.5	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.4	172.1	-177.4	-21.1	0	0	0	108.5	I444 E445 D450 R469 T470 S471 V472	I444-N467 HydrophobicContact CD1-CB 4.11Å; E445-N467 PolarHBondContact O-ND2 3.39Å; D450-N467 PolarHBondContact OD2-ND2 2.94Å; N467-R469 PolarHBondContact O-N 3.44Å; N467-R469 WeakPolarHBondContact OD1-CB 3.49Å; N467-R469 PolarHBondContact OD1-N 2.92Å; N467-T470 PolarHBondContact O-N 3.22Å; N467-S471 VanDerWaalsContact O-CA 3.25Å; N467-S471 WeakPolarHBondContact O-CA 3.29Å; N467-S471 PolarHBondContact O-N 2.87Å; N467-V472 PolarHBondContact N-O 3.36Å
468	M	96	Very high	95.5	Very high	89 Å²	89	51.8 Å²	51.8	44%	0.438	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23	-175.9	-60.5	-175.7	86.5	0	0	113.3	E427 T429 R451 T466	E427-M468 WeakPolarHBondContact OE1-CE 3.49Å; T429-M468 HydrophobicContact CG2-SD 4.27Å; R451-M468 HydrophobicContact CB-CB 4.37Å; R451-M468 HydrophobicContact CB-CG 4.21Å; R451-M468 HydrophobicContact CB-SD 3.66Å; R451-M468 WeakPolarHBondContact O-CB 3.41Å; R451-M468 VanDerWaalsContact O-CG 3.3Å; R451-M468 WeakPolarHBondContact O-CG 3.43Å; R451-M468 PolarHBondContact O-N 2.89Å; T466-M468 PolarHBondContact O-N 2.91Å
469	R	96.9	Very high	95.6	Very high	105 Å²	105	55 Å²	55	40%	0.396	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-44.5	176.2	176.6	-179.6	56	80.4	2.9	111.5	E445 D450 N467	E445-R469 IonicContact OE2-CZ 3.93Å; E445-R469 IonicContact OE2-NH1 2.82Å; E445-R469 PolarHBondContact OE2-NH1 2.91Å; E445-R469 IonicContact OE2-NH2 3.57Å; E445-R469 PolarHBondContact OE2-NH2 3.36Å; D450-R469 VanDerWaalsContact CG-NE 3.27Å; D450-R469 VanDerWaalsContact OD1-CD 3.28Å; D450-R469 WeakPolarHBondContact OD1-CD 3.38Å; D450-R469 IonicContact OD1-CZ 3.94Å; D450-R469 IonicContact OD1-NE 3.34Å; D450-R469 PolarHBondContact OD1-NE 3.28Å; D450-R469 IonicContact OD2-CZ 2.71Å; D450-R469 IonicContact OD2-NE 3.57Å; D450-R469 PolarHBondContact OD2-NE 3.4Å; D450-R469 IonicContact OD2-NH2 3.27Å; D450-R469 PolarHBondContact OD2-NH2 2.89Å; N467-R469 PolarHBondContact O-N 3.44Å; N467-R469 WeakPolarHBondContact OD1-CB 3.49Å; N467-R469 PolarHBondContact OD1-N 2.92Å
470	T	95.7	Very high	96	Very high	49 Å²	49	53 Å²	53	30%	0.301	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-13.1	-174.7	60.3	0	0	0	0	113	N467 V472	N467-T470 PolarHBondContact O-N 3.22Å; T470-V472 PolarHBondContact O-N 3.45Å; T470-V472 PolarHBondContact OG1-N 3.22Å
471	S	96	Very high	96.1	Very high	97 Å²	97	48.6 Å²	48.6	68%	0.678	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	21	-171.1	-58.9	0	0	0	0	114	N467	N467-S471 VanDerWaalsContact O-CA 3.25Å; N467-S471 WeakPolarHBondContact O-CA 3.29Å; N467-S471 PolarHBondContact O-N 2.87Å
472	V	96.7	Very high	96.2	Very high	76 Å²	76	50 Å²	50	46%	0.461	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.8	177.3	-176.2	0	0	0	0	109.7	I444 T466 N467 T470	I444-V472 HydrophobicContact CG2-CB 4.36Å; I444-V472 HydrophobicContact CG2-CG1 3.85Å; T466-V472 WeakPolarHBondContact CA-O 3.29Å; N467-V472 PolarHBondContact N-O 3.36Å; T470-V472 PolarHBondContact O-N 3.45Å; T470-V472 PolarHBondContact OG1-N 3.22Å
473	S	97.1	Very high	95.8	Very high	75 Å²	75	49.6 Å²	49.6	52%	0.524	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.9	174.1	-53.4	0	0	0	0	111.7	I444 G465 T466	I444-S473 VanDerWaalsContact CG2-C 3.47Å; G465-S473 CarbonylContact O-C 3.41Å; G465-S473 VanDerWaalsContact O-CA 3.25Å; G465-S473 WeakPolarHBondContact O-CA 3.5Å; T466-S473 PolarHBondContact OG1-OG 3.27Å
474	G	97.6	Very high	95.3	Very high	7 Å²	7	51 Å²	51	7%	0.072	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-163.1	176.5	0	0	0	0	0	112	D442 I444 K464 G465	D442-G474 CarbonylContact O-C 3.47Å; D442-G474 WeakPolarHBondContact O-CA 3.48Å; I444-G474 VanDerWaalsContact CG2-N 3.31Å; K464-G474 WeakPolarHBondContact CA-O 3.44Å; G465-G474 PolarHBondContact N-O 3.25Å; G465-G474 VanDerWaalsContact N-O 3.08Å; G465-G474 PolarHBondContact O-N 3.31Å
475	L	97.8	Very high	94.5	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.2	-177.5	-58.3	-176.9	0	0	0	111.8	D442 E443 I444 H458 Y462 S463 K464	D442-L475 PolarHBondContact O-N 3.29Å; D442-L475 WeakPolarHBondContact OD2-CD1 3.44Å; E443-L475 CarbonylContact C-O 3.6Å; E443-L475 WeakPolarHBondContact CA-O 3.43Å; E443-L475 HydrophobicContact CG-CB 4.3Å; I444-L475 PolarHBondContact N-O 2.94Å; H458-L475 VanDerWaalsContact CE1-CD2 3.42Å; H458-L475 WeakPolarHBondContact CE1-CD2 3.48Å; Y462-L475 HydrophobicContact CD1-CB 4.12Å; S463-L475 CarbonylContact O-C 3.57Å; S463-L475 VanDerWaalsContact O-CA 3.29Å; S463-L475 WeakPolarHBondContact O-CA 3.48Å; K464-L475 HydrophobicContact CB-CD2 3.98Å; K464-L475 HydrophobicContact CG-CD2 4.29Å
476	F	96.9	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.9	170.3	58.7	-85.3	0	0	0	110.2	W430 I444 L446 I452 V454 Y462 S463 T478 T481	W430-F476 AromaticContact CE3-CE2 3.96Å; W430-F476 HydrophobicContact CE3-CE2 3.96Å; W430-F476 HydrophobicContact CE3-CZ 4.15Å; W430-F476 HydrophobicContact CZ3-CE2 4.11Å; W430-F476 HydrophobicContact CZ3-CZ 4.34Å; I444-F476 HydrophobicContact CD1-CB 4.45Å; I444-F476 HydrophobicContact CD1-CD1 3.74Å; I444-F476 HydrophobicContact CD1-CE1 4.5Å; I444-F476 HydrophobicContact CD1-CG 4.43Å; I444-F476 HydrophobicContact CG1-CB 4.03Å; I444-F476 HydrophobicContact CG1-CD1 4.2Å; L446-F476 HydrophobicContact CD1-CB 3.84Å; L446-F476 HydrophobicContact CD1-CD2 4.15Å; L446-F476 HydrophobicContact CD1-CG 4.22Å; L446-F476 HydrophobicContact CD2-CB 4.47Å; L446-F476 HydrophobicContact CG-CB 4.26Å; I452-F476 HydrophobicContact CG2-CD1 4.33Å; I452-F476 HydrophobicContact CG2-CE1 3.6Å; I452-F476 HydrophobicContact CG2-CZ 3.81Å; V454-F476 HydrophobicContact CG2-CZ 4.23Å; Y462-F476 CarbonylContact C-O 3.6Å; Y462-F476 WeakPolarHBondContact CA-O 3.36Å; S463-F476 VanDerWaalsContact CB-CZ 3.48Å; S463-F476 PolarHBondContact N-O 3.39Å; S463-F476 WeakPolarHBondContact O-CD1 3.32Å; S463-F476 PolarHBondContact O-N 3.35Å; F476-T478 PolarHBondContact O-N 3.48Å; F476-T481 HydrophobicContact CD2-CG2 3.93Å; F476-T481 HydrophobicContact CE2-CG2 3.76Å
477	P	96.6	Very high	92.3	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	121.2	177	-20.3	30.4	0	0	0	111.4	H436 G461 Y462 Y479 K480	H436-P477 WeakPolarHBondContact CD2-CD 3.21Å; H436-P477 VanDerWaalsContact NE2-CD 3.28Å; H436-P477 WeakPolarHBondContact NE2-CD 3.5Å; G461-P477 WeakPolarHBondContact O-CA 3.36Å; Y462-P477 HydrophobicContact CD1-CG 4.32Å; Y462-P477 HydrophobicContact CE1-CG 3.8Å; P477-Y479 VanDerWaalsContact C-N 3.25Å; P477-Y479 HydrophobicContact CB-CD1 3.72Å; P477-Y479 HydrophobicContact CB-CE1 3.44Å; P477-Y479 VanDerWaalsContact CB-CE1 3.44Å; P477-Y479 HydrophobicContact CG-CE1 4.41Å; P477-Y479 PolarHBondContact O-N 3.44Å; P477-K480 HydrophobicContact CB-CD 4.15Å; P477-K480 HydrophobicContact CB-CG 4.16Å; P477-K480 HydrophobicContact CG-CD 4.08Å; P477-K480 WeakPolarHBondContact O-CB 3.39Å; P477-K480 PolarHBondContact O-N 3Å; P477-K480 VanDerWaalsContact O-N 3.07Å
478	T	94.8	Very high	91.1	Very high	31 Å²	31	55 Å²	55	19%	0.19	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.6	-38.5	-173.6	-55.7	0	0	0	0	112.7	W430 G461 Y462 S463 F476 K480 T481	W430-T478 HydrophobicContact CH2-CG2 3.98Å; W430-T478 HydrophobicContact CZ3-CG2 3.84Å; G461-T478 PolarHBondContact O-N 3.02Å; G461-T478 PolarHBondContact O-OG1 3.34Å; Y462-T478 VanDerWaalsContact C-OG1 3.23Å; S463-T478 PolarHBondContact N-OG1 2.92Å; S463-T478 PolarHBondContact OG-OG1 3.2Å; F476-T478 PolarHBondContact O-N 3.48Å; T478-K480 PolarHBondContact O-N 2.94Å; T478-K480 VanDerWaalsContact O-N 3.16Å; T478-T481 PolarHBondContact O-N 3.48Å; T478-T481 PolarHBondContact O-OG1 3.4Å
479	Y	94.1	Very high	90.1	Very high	158 Å²	158	59.3 Å²	59.3	62%	0.62	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.6	-176.9	79.2	-84.7	0	0	0	114.2	M434 P477 T481	M434-Y479 HydrophobicContact SD-CD2 4.39Å; M434-Y479 HydrophobicContact SD-CE2 4.05Å; P477-Y479 VanDerWaalsContact C-N 3.25Å; P477-Y479 HydrophobicContact CB-CD1 3.72Å; P477-Y479 HydrophobicContact CB-CE1 3.44Å; P477-Y479 VanDerWaalsContact CB-CE1 3.44Å; P477-Y479 HydrophobicContact CG-CE1 4.41Å; P477-Y479 PolarHBondContact O-N 3.44Å; Y479-T481 VanDerWaalsContact C-N 3.25Å
480	K	96.2	Very high	89.2	Confident	26 Å²	26	55.4 Å²	55.4	11%	0.113	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-85	0.2	178.1	-66.4	-172.6	174	-167.1	0	113.5	V433 M434 D435 H436 L446 P477 T478	V433-K480 VanDerWaalsContact CG2-O 3.3Å; V433-K480 WeakPolarHBondContact CG2-O 3.19Å; V433-K480 PolarHBondContact N-O 2.87Å; M434-K480 HydrophobicContact CB-CB 4.11Å; M434-K480 HydrophobicContact CB-CD 4.41Å; M434-K480 HydrophobicContact CB-CG 4.06Å; M434-K480 PolarHBondContact N-O 3.39Å; M434-K480 HydrophobicContact SD-CG 4.34Å; D435-K480 PolarHBondContact O-NZ 3.32Å; H436-K480 HydrophobicContact CB-CD 3.86Å; H436-K480 PolarHBondContact ND1-NZ 3.13Å; L446-K480 HydrophobicContact CD1-CB 4.39Å; P477-K480 HydrophobicContact CB-CD 4.15Å; P477-K480 HydrophobicContact CB-CG 4.16Å; P477-K480 HydrophobicContact CG-CD 4.08Å; P477-K480 WeakPolarHBondContact O-CB 3.39Å; P477-K480 PolarHBondContact O-N 3Å; P477-K480 VanDerWaalsContact O-N 3.07Å; T478-K480 PolarHBondContact O-N 2.94Å; T478-K480 VanDerWaalsContact O-N 3.16Å
481	T	94.4	Very high	88.5	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.5	-176.3	48.4	0	0	0	0	111.2	L431 L446 I452 F476 T478 Y479	L431-T481 CarbonylContact O-C 3.59Å; L431-T481 VanDerWaalsContact O-CA 3.22Å; L431-T481 WeakPolarHBondContact O-CA 3.48Å; L446-T481 HydrophobicContact CD1-CG2 4.1Å; I452-T481 HydrophobicContact CD1-CG2 3.87Å; I452-T481 HydrophobicContact CG1-CG2 4.5Å; F476-T481 HydrophobicContact CD2-CG2 3.93Å; F476-T481 HydrophobicContact CE2-CG2 3.76Å; T478-T481 PolarHBondContact O-N 3.48Å; T478-T481 PolarHBondContact O-OG1 3.4Å; Y479-T481 VanDerWaalsContact C-N 3.25Å
482	V	91.4	Very high	87.8	Confident	71 Å²	71	53.9 Å²	53.9	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.7	171.3	-61	0	0	0	0	110.1	W430 L431 V433	W430-V482 CarbonylContact C-O 3.54Å; W430-V482 WeakPolarHBondContact CA-O 3.08Å; W430-V482 WeakPolarHBondContact CB-O 3.32Å; L431-V482 HydrophobicContact CB-CG2 4.11Å; L431-V482 PolarHBondContact N-O 3.25Å; L431-V482 PolarHBondContact O-N 3.02Å; V433-V482 HydrophobicContact CG1-CB 4.35Å; V433-V482 HydrophobicContact CG1-CG1 3.85Å; V433-V482 HydrophobicContact CG1-CG2 3.63Å; V433-V482 HydrophobicContact CG2-CG1 4.11Å
483	E	87.7	Confident	86.6	Confident	56 Å²	56	53 Å²	53	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.9	179	-52.2	-159.1	121.8	0	0	111.2	Y253 H428 W430 W485	Y253-E483 WeakPolarHBondContact CD2-OE2 3.44Å; Y253-E483 VanDerWaalsContact CE2-OE2 3.22Å; Y253-E483 WeakPolarHBondContact CE2-OE2 3.3Å; H428-E483 IonicContact CE1-OE1 3.4Å; H428-E483 PolarHBondContact CE1-OE1 3Å; H428-E483 IonicContact NE2-OE1 3.77Å; W430-E483 HydrophobicContact CD2-CG 4.44Å; W430-E483 HydrophobicContact CZ2-CG 4.25Å; W430-E483 PolarHBondContact NE1-OE1 3.32Å; E483-W485 HydrophobicContact CB-CH2 3.89Å; E483-W485 HydrophobicContact CB-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CH2 4.4Å; E483-W485 HydrophobicContact CG-CZ2 4.27Å; E483-W485 WeakPolarHBondContact OE2-CH2 3.46Å; E483-W485 WeakPolarHBondContact OE2-CZ2 3.42Å
484	T	85.4	Confident	85.3	Confident	29 Å²	29	50.2 Å²	50.2	18%	0.178	25%	0.247	C	C	.	.			trans	-114.6	133.6	175.6	67.2	0	0	0	0	111.3	T429 L431	T429-T484 WeakPolarHBondContact O-CB 3.28Å; T429-T484 PolarHBondContact O-N 3.28Å; T429-T484 VanDerWaalsContact O-N 3.07Å; T429-T484 PolarHBondContact O-OG1 2.95Å; T429-T484 PolarHBondContact OG1-OG1 3.49Å; L431-T484 HydrophobicContact CB-CG2 3.53Å
485	W	80.2	Confident	83.2	Confident	50 Å²	50	54.2 Å²	54.2	19%	0.189	27%	0.266	C	S	.	.			trans	-108.5	141.3	-173	-50.9	110.4	0	0	0	111.8	L240 L248 Y253 P255 E483 F487	L240-W485 HydrophobicContact CD1-CB 4.06Å; L248-W485 HydrophobicContact CD2-CG 3.94Å; Y253-W485 HydrophobicContact CD1-CH2 4.44Å; Y253-W485 AromaticContact CD2-CH2 3.8Å; Y253-W485 HydrophobicContact CD2-CH2 3.8Å; Y253-W485 HydrophobicContact CD2-CZ2 4.41Å; Y253-W485 HydrophobicContact CE1-CH2 4.23Å; Y253-W485 HydrophobicContact CE1-CZ3 4.44Å; Y253-W485 AromaticContact CE2-CH2 3.58Å; Y253-W485 HydrophobicContact CE2-CH2 3.58Å; Y253-W485 HydrophobicContact CE2-CZ3 4.34Å; Y253-W485 HydrophobicContact CG-CH2 4.24Å; Y253-W485 AromaticContact CZ-CH2 3.81Å; P255-W485 HydrophobicContact CG-CD2 4.37Å; P255-W485 HydrophobicContact CG-CE3 3.48Å; P255-W485 VanDerWaalsContact CG-CE3 3.48Å; P255-W485 HydrophobicContact CG-CH2 4.2Å; P255-W485 HydrophobicContact CG-CZ3 3.41Å; P255-W485 VanDerWaalsContact CG-CZ3 3.41Å; E483-W485 HydrophobicContact CB-CH2 3.89Å; E483-W485 HydrophobicContact CB-CZ2 3.56Å; E483-W485 HydrophobicContact CG-CH2 4.4Å; E483-W485 HydrophobicContact CG-CZ2 4.27Å; E483-W485 WeakPolarHBondContact OE2-CH2 3.46Å; E483-W485 WeakPolarHBondContact OE2-CZ2 3.42Å; W485-F487 HydrophobicContact CB-CE2 3.96Å; W485-F487 HydrophobicContact CB-CZ 4.05Å
486	R	75.5	Confident	81	Confident	93 Å²	93	59.4 Å²	59.4	35%	0.351	29%	0.294	S	S	.	.			trans	-104.5	138.5	175.8	-61.6	-178	-175.3	-174.3	0.8	109.2	L239 L240	L239-R486 HydrophobicContact CD2-CB 4.03Å; L240-R486 PolarHBondContact N-O 2.96Å
487	F	74.3	Confident	78.7	Confident	82 Å²	82	59.5 Å²	59.5	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.1	-177.2	-62.2	-91.6	0	0	0	110.4	L240 L248 W485	L240-F487 HydrophobicContact CB-CD1 3.34Å; L240-F487 HydrophobicContact CB-CE1 3.51Å; L240-F487 HydrophobicContact CB-CG 4.26Å; L240-F487 HydrophobicContact CD1-CD1 4.16Å; L240-F487 HydrophobicContact CD1-CE1 3.53Å; L240-F487 HydrophobicContact CD1-CZ 3.87Å; L240-F487 HydrophobicContact CG-CD1 4.39Å; L240-F487 HydrophobicContact CG-CE1 4.17Å; L240-F487 CarbonylContact O-C 3.53Å; L240-F487 WeakPolarHBondContact O-CA 3.4Å; L240-F487 WeakPolarHBondContact O-CB 3.29Å; L248-F487 HydrophobicContact CD1-CE2 4.47Å; L248-F487 HydrophobicContact CD1-CZ 3.74Å; L248-F487 HydrophobicContact CG-CZ 4.16Å; W485-F487 HydrophobicContact CB-CE2 3.96Å; W485-F487 HydrophobicContact CB-CZ 4.05Å
488	A	71.8	Confident	76.1	Confident	12 Å²	12	60.8 Å²	60.8	10%	0.099	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.7	168.9	0	0	0	0	0	111.7	Y178 L239 L240 S241 S242 T490	Y178-A488 HydrophobicContact CD1-CB 4.07Å; Y178-A488 HydrophobicContact CE1-CB 3.66Å; L239-A488 HydrophobicContact CB-CB 3.48Å; L239-A488 VanDerWaalsContact CB-CB 3.48Å; L239-A488 HydrophobicContact CD1-CB 3.66Å; L239-A488 HydrophobicContact CD2-CB 4.06Å; L239-A488 HydrophobicContact CG-CB 3.89Å; L240-A488 PolarHBondContact O-N 3.45Å; S241-A488 CarbonylContact C-O 3.49Å; S241-A488 WeakPolarHBondContact CA-O 3.36Å; S242-A488 WeakPolarHBondContact CB-O 3.33Å; S242-A488 PolarHBondContact N-O 3.49Å; A488-T490 PolarHBondContact O-N 2.95Å
489	K	74.4	Confident	73.8	Confident	180 Å²	180	65.3 Å²	65.3	78%	0.783	33%	0.33	S	S	*	.			trans	-68.5	129	167.6	-65.3	-176.3	179.8	-179.5	0	108.9	Y178	Y178-K489 WeakPolarHBondContact CD1-O 3.42Å
490	T	77.8	Confident	71.4	Confident	23 Å²	23	63 Å²	63	14%	0.141	33%	0.328	C	S	.	.			trans	-104.1	147.1	171.5	168.7	0	0	0	0	109.3	Y177 S241 A488 F492	Y177-T490 WeakPolarHBondContact CE1-OG1 3.45Å; S241-T490 WeakPolarHBondContact OG-CG2 3.35Å; A488-T490 PolarHBondContact O-N 2.95Å; T490-F492 WeakPolarHBondContact CG2-O 3.27Å; T490-F492 PolarHBondContact O-N 3.38Å; T490-F492 WeakPolarHBondContact OG1-CD2 3.35Å; T490-F492 PolarHBondContact OG1-N 3.43Å
491	P	82	Confident	68.7	Low	72 Å²	72	64.7 Å²	64.7	47%	0.468	34%	0.338	S	S	.	.	S	Bend	trans	-69.3	-15.7	170.9	29.2	-34.2	0	0	0	112.7	Y177 N180	Y177-P491 WeakPolarHBondContact O-CG 3.21Å; N180-P491 HydrophobicContact CB-CB 4.25Å; N180-P491 HydrophobicContact CB-CG 3.94Å
492	F	82.2	Confident	67.4	Low	41 Å²	41	67.3 Å²	67.3	18%	0.18	35%	0.351	C	S	.	.	S	Bend	trans	-93.8	138.8	-175.4	-56.3	-74.8	0	0	0	112.6	L140 Y177 N180 T490	L140-F492 HydrophobicContact CB-CZ 4.27Å; L140-F492 HydrophobicContact CD1-CZ 4.05Å; L140-F492 HydrophobicContact CD2-CE2 4.32Å; L140-F492 HydrophobicContact CD2-CZ 4.17Å; L140-F492 HydrophobicContact CG-CZ 4.39Å; Y177-F492 HydrophobicContact CD1-CD2 4.14Å; Y177-F492 HydrophobicContact CD1-CE2 4.27Å; Y177-F492 AromaticContact CD2-CD2 3.87Å; Y177-F492 HydrophobicContact CD2-CD2 3.87Å; Y177-F492 AromaticContact CD2-CE2 3.62Å; Y177-F492 HydrophobicContact CD2-CE2 3.62Å; Y177-F492 AromaticContact CE1-CD2 3.71Å; Y177-F492 HydrophobicContact CE1-CD2 3.71Å; Y177-F492 HydrophobicContact CE1-CE2 4.29Å; Y177-F492 AromaticContact CE2-CD2 3.41Å; Y177-F492 HydrophobicContact CE2-CD2 3.41Å; Y177-F492 VanDerWaalsContact CE2-CD2 3.41Å; Y177-F492 AromaticContact CE2-CE2 3.64Å; Y177-F492 HydrophobicContact CE2-CE2 3.64Å; Y177-F492 HydrophobicContact CE2-CG 4.2Å; Y177-F492 HydrophobicContact CG-CD2 4.21Å; Y177-F492 AromaticContact CG-CE2 3.96Å; Y177-F492 HydrophobicContact CG-CE2 3.96Å; Y177-F492 AromaticContact CZ-CD2 3.32Å; Y177-F492 AromaticContact CZ-CE2 3.98Å; Y177-F492 VanDerWaalsContact O-CE2 3.29Å; Y177-F492 WeakPolarHBondContact O-CE2 3.43Å; N180-F492 WeakPolarHBondContact OD1-CZ 3.49Å; T490-F492 WeakPolarHBondContact CG2-O 3.27Å; T490-F492 PolarHBondContact O-N 3.38Å; T490-F492 WeakPolarHBondContact OG1-CD2 3.35Å; T490-F492 PolarHBondContact OG1-N 3.43Å
493	S	71.2	Confident	66.2	Low	57 Å²	57	67.1 Å²	67.1	40%	0.399	35%	0.346	S	S	.	.			trans	-88.5	124.6	175	-173.5	0	0	0	0	111.3	Q136 K243 L495	Q136-S493 PolarHBondContact NE2-O 3.18Å; Q136-S493 VanDerWaalsContact NE2-O 3.16Å; K243-S493 PolarHBondContact NZ-OG 3.33Å; K243-S493 VanDerWaalsContact NZ-OG 3.16Å; S493-L495 PolarHBondContact O-N 3.17Å; S493-L495 VanDerWaalsContact OG-CB 3.26Å; S493-L495 WeakPolarHBondContact OG-CB 3.26Å; S493-L495 VanDerWaalsContact OG-CD1 3.3Å; S493-L495 WeakPolarHBondContact OG-CD1 3.32Å; S493-L495 VanDerWaalsContact OG-CG 3.27Å; S493-L495 WeakPolarHBondContact OG-CG 3.43Å; S493-L495 PolarHBondContact OG-N 3.14Å; S493-L495 VanDerWaalsContact OG-N 3.12Å
494	W	69	Low	65	Low	18 Å²	18	67.7 Å²	67.7	7%	0.068	35%	0.351	C	S	.	.			trans	-83.5	6.9	167.9	-61.3	-2	0	0	0	112.7	L129 V133 Y177 W258 N496 A497 T498	L129-W494 HydrophobicContact CD1-CD2 4.45Å; L129-W494 HydrophobicContact CD1-CE3 4.18Å; L129-W494 HydrophobicContact CD1-CZ3 4.5Å; V133-W494 HydrophobicContact CG2-CZ2 4.29Å; Y177-W494 PolarHBondContact OH-NE1 2.98Å; W258-W494 HydrophobicContact CE3-CZ2 4.47Å; W258-W494 HydrophobicContact CZ3-CZ2 4.01Å; W494-N496 VanDerWaalsContact C-N 3.32Å; W494-N496 PolarHBondContact O-N 3.01Å; W494-A497 WeakPolarHBondContact O-CB 3.17Å; W494-A497 PolarHBondContact O-N 2.84Å; W494-T498 WeakPolarHBondContact O-CG2 3.45Å; W494-T498 PolarHBondContact O-N 3.28Å
495	L	54.6	Low	63.8	Low	90 Å²	90	70 Å²	70	47%	0.471	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.7	-173.7	-73.3	162	0	0	0	113.7	K243 S493 A497 T498	K243-L495 VanDerWaalsContact NZ-CD1 3.28Å; S493-L495 PolarHBondContact O-N 3.17Å; S493-L495 VanDerWaalsContact OG-CB 3.26Å; S493-L495 WeakPolarHBondContact OG-CB 3.26Å; S493-L495 VanDerWaalsContact OG-CD1 3.3Å; S493-L495 WeakPolarHBondContact OG-CD1 3.32Å; S493-L495 VanDerWaalsContact OG-CG 3.27Å; S493-L495 WeakPolarHBondContact OG-CG 3.43Å; S493-L495 PolarHBondContact OG-N 3.14Å; S493-L495 VanDerWaalsContact OG-N 3.12Å; L495-A497 VanDerWaalsContact C-N 3.25Å; L495-A497 PolarHBondContact O-N 3.06Å; L495-T498 VanDerWaalsContact C-OG1 3.29Å; L495-T498 WeakPolarHBondContact CA-OG1 3.24Å; L495-T498 WeakPolarHBondContact O-CA 3.42Å; L495-T498 WeakPolarHBondContact O-CB 3.39Å; L495-T498 PolarHBondContact O-N 3.46Å; L495-T498 PolarHBondContact O-OG1 3.01Å
496	N	50.1	Low	62.8	Low	137 Å²	137	71.3 Å²	71.3	73%	0.733	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-75.8	-18.8	177.4	-66.9	0.4	0	0	0	112.2	W494 T498 T499	W494-N496 VanDerWaalsContact C-N 3.32Å; W494-N496 PolarHBondContact O-N 3.01Å; N496-T498 PolarHBondContact O-N 2.9Å; N496-T499 PolarHBondContact O-OG1 3.13Å
497	A	49.5	Very low	61.9	Low	3 Å²	3	69.8 Å²	69.8	3%	0.025	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-70	-23.8	164.4	0	0	0	0	0	111.5	L129 V132 W494 L495 L500 I501	L129-A497 HydrophobicContact CD1-CB 4.42Å; V132-A497 HydrophobicContact CB-CB 4.22Å; V132-A497 HydrophobicContact CG1-CB 4.22Å; V132-A497 HydrophobicContact CG2-CB 3.76Å; W494-A497 WeakPolarHBondContact O-CB 3.17Å; W494-A497 PolarHBondContact O-N 2.84Å; L495-A497 VanDerWaalsContact C-N 3.25Å; L495-A497 PolarHBondContact O-N 3.06Å; A497-L500 PolarHBondContact O-N 2.86Å; A497-I501 WeakPolarHBondContact O-CG1 3.4Å; A497-I501 PolarHBondContact O-N 3.35Å
498	T	42.3	Very low	61	Low	35 Å²	35	68.9 Å²	68.9	22%	0.215	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.6	-170.1	65.3	0	0	0	0	115.4	R246 W494 L495 N496	R246-T498 VanDerWaalsContact NH1-CG2 3.31Å; W494-T498 WeakPolarHBondContact O-CG2 3.45Å; W494-T498 PolarHBondContact O-N 3.28Å; L495-T498 VanDerWaalsContact C-OG1 3.29Å; L495-T498 WeakPolarHBondContact CA-OG1 3.24Å; L495-T498 WeakPolarHBondContact O-CA 3.42Å; L495-T498 WeakPolarHBondContact O-CB 3.39Å; L495-T498 PolarHBondContact O-N 3.46Å; L495-T498 PolarHBondContact O-OG1 3.01Å; N496-T498 PolarHBondContact O-N 2.9Å
499	T	45.9	Very low	60.2	Low	126 Å²	126	73.3 Å²	73.3	77%	0.773	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.8	167.9	36.4	0	0	0	0	112.9	N496	N496-T499 PolarHBondContact O-OG1 3.13Å
500	L	43.6	Very low	59	Low	110 Å²	110	64.4 Å²	64.4	58%	0.576	36%	0.363	S	S	*	.			trans	-97.2	-8.7	176.3	-77.1	157.4	0	0	0	113.5	Q128 A497	Q128-L500 PolarHBondContact OE1-O 2.83Å; Q128-L500 VanDerWaalsContact OE1-O 3.09Å; A497-L500 PolarHBondContact O-N 2.86Å
501	I	39.9	Very low	57.3	Low	61 Å²	61	68.2 Å²	68.2	31%	0.313	38%	0.384	S	S	.	.			trans	-117.9	0	-176.1	-67.1	171.8	0	0	0	111.3	K125 A497	K125-I501 HydrophobicContact CB-CG1 4.43Å; K125-I501 HydrophobicContact CD-CG2 4.12Å; K125-I501 HydrophobicContact CG-CG1 4.32Å; K125-I501 PolarHBondContact NZ-O 3.1Å; A497-I501 WeakPolarHBondContact O-CG1 3.4Å; A497-I501 PolarHBondContact O-N 3.35Å

Retrieved 501 of 501 residues in 332 ms (Link to these results)

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