A0A077Z6S9_TRITR Loading...

Protein AAR2 homolog

Component of the U5 snRNP complex that is required for spliceosome assembly and for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A077Z6S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 367 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	33	Very low	60.5	Low	243 Å²	243	104.4 Å²	104.4	100%	1.197	60%	0.602	S	S	*	*				0	125.3	0	-79.7	-177.7	-102.3	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 2.93Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2	A	29.3	Very low	63.1	Low	97 Å²	97	104.5 Å²	104.5	80%	0.802	59%	0.593	S	S	*	*			trans	-66.3	110.5	178.6	0	0	0	0	0	108.6
3	S	39.3	Very low	65.3	Low	62 Å²	62	98.9 Å²	98.9	43%	0.434	57%	0.568	S	S	.	*			trans	-63.8	144.7	170	49.3	0	0	0	0	109	M1 S5 A6	M1-S3 PolarHBondContact O-N 2.93Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-S5 PolarHBondContact O-N 2.88Å; S3-S5 PolarHBondContact O-OG 3.04Å; S3-S5 PolarHBondContact OG-OG 3.33Å; S3-A6 WeakPolarHBondContact O-CB 3.13Å; S3-A6 PolarHBondContact O-N 3.16Å
4	T	45.9	Very low	67.2	Low	53 Å²	53	98.9 Å²	98.9	33%	0.325	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-56.8	1.8	174.6	50.4	0	0	0	0	115.9	A6 N7 E124	T4-A6 PolarHBondContact O-N 3.47Å; T4-N7 PolarHBondContact O-N 3.07Å; T4-E124 WeakPolarHBondContact CB-OE1 3.47Å; T4-E124 VanDerWaalsContact CG2-CD 3.49Å; T4-E124 HydrophobicContact CG2-CG 3.66Å; T4-E124 WeakPolarHBondContact CG2-OE1 3.35Å; T4-E124 PolarHBondContact N-OE1 3.33Å; T4-E124 VanDerWaalsContact N-OE1 3.07Å; T4-E124 WeakPolarHBondContact OG1-CG 3.26Å; T4-E124 PolarHBondContact OG1-OE1 3.14Å
5	S	49.7	Very low	69	Low	57 Å²	57	104.6 Å²	104.6	40%	0.399	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-53.6	-16.7	154.5	52	0	0	0	0	112.3	S3 N7	S3-S5 PolarHBondContact O-N 2.88Å; S3-S5 PolarHBondContact O-OG 3.04Å; S3-S5 PolarHBondContact OG-OG 3.33Å; S5-N7 VanDerWaalsContact C-N 3.33Å
6	A	51.9	Low	70.5	Confident	73 Å²	73	101.4 Å²	101.4	60%	0.603	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-68.6	-19.8	170.1	0	0	0	0	0	115.2	S3 T4	S3-A6 WeakPolarHBondContact O-CB 3.13Å; S3-A6 PolarHBondContact O-N 3.16Å; T4-A6 PolarHBondContact O-N 3.47Å
7	N	67.2	Low	71.8	Confident	145 Å²	145	97.5 Å²	97.5	78%	0.775	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-104.6	1.3	-178.2	-78.6	-12.4	0	0	0	113.9	T4 S5	T4-N7 PolarHBondContact O-N 3.07Å; S5-N7 VanDerWaalsContact C-N 3.33Å
8	M	80.2	Confident	73	Confident	45 Å²	45	98.9 Å²	98.9	22%	0.222	53%	0.534	C	S	.	.	S	Bend	trans	-84.3	132.3	179.5	-172.3	180	-69.7	0	0	109.7	E12 A13 L16 F123	M8-E12 HydrophobicContact CG-CB 3.74Å; M8-E12 HydrophobicContact SD-CB 4.49Å; M8-A13 HydrophobicContact CG-CB 4.24Å; M8-A13 VanDerWaalsContact SD-CA 3.55Å; M8-A13 HydrophobicContact SD-CB 3.76Å; M8-L16 HydrophobicContact CE-CD1 3.42Å; M8-L16 VanDerWaalsContact CE-CD1 3.42Å; M8-L16 HydrophobicContact SD-CD1 3.55Å; M8-L16 VanDerWaalsContact SD-CD1 3.55Å; M8-F123 HydrophobicContact CE-CD2 3.54Å; M8-F123 HydrophobicContact CE-CE2 3.76Å; M8-F123 HydrophobicContact CE-CG 4.3Å
9	S	88.7	Confident	74	Confident	53 Å²	53	97 Å²	97	37%	0.371	52%	0.523	S	S	.	.			trans	-64.5	151.8	173.8	67.7	0	0	0	0	110.5	E11 E12 A13	S9-E11 PolarHBondContact O-N 3.2Å; S9-E12 WeakPolarHBondContact CB-OE2 3.43Å; S9-E12 PolarHBondContact N-OE2 2.74Å; S9-E12 PolarHBondContact O-N 3.17Å; S9-E12 WeakPolarHBondContact OG-CB 3.34Å; S9-E12 WeakPolarHBondContact OG-CG 3.02Å; S9-E12 PolarHBondContact OG-N 3.26Å; S9-E12 PolarHBondContact OG-OE2 2.73Å; S9-A13 PolarHBondContact O-N 3.26Å
10	Q	88.7	Confident	75.1	Confident	159 Å²	159	92.4 Å²	92.4	74%	0.743	50%	0.499	S	S	*	.	H	α-helix	trans	-59.4	-35.7	179.2	-174	175.7	0.8	0	0	112	A13 L14	Q10-A13 PolarHBondContact O-N 3.01Å; Q10-L14 HydrophobicContact CG-CD1 4.41Å; Q10-L14 WeakPolarHBondContact O-CG 3.47Å; Q10-L14 PolarHBondContact O-N 2.96Å
11	E	92	Very high	76.1	Confident	161 Å²	161	88 Å²	88	75%	0.752	48%	0.476	S	S	*	.	H	α-helix	trans	-66.8	-43.7	177.6	-170.6	175	-178.5	0	0	111.9	S9 L14 R15	S9-E11 PolarHBondContact O-N 3.2Å; E11-L14 PolarHBondContact O-N 3Å; E11-R15 WeakPolarHBondContact O-CB 3.19Å; E11-R15 PolarHBondContact O-N 3.43Å
12	E	91.9	Very high	79.2	Confident	106 Å²	106	76.9 Å²	76.9	50%	0.495	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-42.2	173.7	-73.5	166.3	143.6	0	0	111.8	M8 S9 L14 R15 L16	M8-E12 HydrophobicContact CG-CB 3.74Å; M8-E12 HydrophobicContact SD-CB 4.49Å; S9-E12 WeakPolarHBondContact CB-OE2 3.43Å; S9-E12 PolarHBondContact N-OE2 2.74Å; S9-E12 PolarHBondContact O-N 3.17Å; S9-E12 WeakPolarHBondContact OG-CB 3.34Å; S9-E12 WeakPolarHBondContact OG-CG 3.02Å; S9-E12 PolarHBondContact OG-N 3.26Å; S9-E12 PolarHBondContact OG-OE2 2.73Å; E12-L14 PolarHBondContact O-N 2.82Å; E12-R15 PolarHBondContact O-N 2.57Å; E12-L16 WeakPolarHBondContact O-CB 2.84Å; E12-L16 WeakPolarHBondContact O-CG 3.31Å; E12-L16 PolarHBondContact O-N 3.07Å
13	A	91.3	Very high	82.4	Confident	32 Å²	32	72.2 Å²	72.2	26%	0.264	38%	0.382	S	S	.	.	H	α-helix	trans	-61.9	-43.1	178	0	0	0	0	0	111.8	M8 S9 Q10 L16 F17	M8-A13 HydrophobicContact CG-CB 4.24Å; M8-A13 VanDerWaalsContact SD-CA 3.55Å; M8-A13 HydrophobicContact SD-CB 3.76Å; S9-A13 PolarHBondContact O-N 3.26Å; Q10-A13 PolarHBondContact O-N 3.01Å; A13-L16 PolarHBondContact O-N 3.09Å; A13-F17 WeakPolarHBondContact O-CB 3.34Å; A13-F17 PolarHBondContact O-N 2.74Å
14	L	92.3	Very high	85.1	Confident	99 Å²	99	69.3 Å²	69.3	52%	0.518	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-46.7	174.9	-74.1	168.7	0	0	0	111.4	Q10 E11 E12 L16 F17 E18	Q10-L14 HydrophobicContact CG-CD1 4.41Å; Q10-L14 WeakPolarHBondContact O-CG 3.47Å; Q10-L14 PolarHBondContact O-N 2.96Å; E11-L14 PolarHBondContact O-N 3Å; E12-L14 PolarHBondContact O-N 2.82Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3Å; L14-F17 WeakPolarHBondContact O-CB 3.01Å; L14-F17 PolarHBondContact O-N 2.59Å; L14-E18 WeakPolarHBondContact O-CG 3.02Å; L14-E18 PolarHBondContact O-N 3.14Å
15	R	93.3	Very high	87.3	Confident	184 Å²	184	66.9 Å²	66.9	69%	0.694	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-41.4	177.8	-177.7	-178	170	-166.2	-2.9	112	E11 E12 E18 N19	E11-R15 WeakPolarHBondContact O-CB 3.19Å; E11-R15 PolarHBondContact O-N 3.43Å; E12-R15 PolarHBondContact O-N 2.57Å; R15-E18 PolarHBondContact O-N 3.22Å; R15-N19 WeakPolarHBondContact O-CB 3.29Å; R15-N19 PolarHBondContact O-N 3.28Å; R15-N19 VanDerWaalsContact O-N 3.13Å; R15-N19 PolarHBondContact O-ND2 3Å
16	L	93.8	Very high	89.1	Confident	53 Å²	53	66 Å²	66	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-35.2	177.6	-75.7	170.7	0	0	0	112	M8 E12 A13 L14 E18 G20 M52 F123	M8-L16 HydrophobicContact CE-CD1 3.42Å; M8-L16 VanDerWaalsContact CE-CD1 3.42Å; M8-L16 HydrophobicContact SD-CD1 3.55Å; M8-L16 VanDerWaalsContact SD-CD1 3.55Å; E12-L16 WeakPolarHBondContact O-CB 2.84Å; E12-L16 WeakPolarHBondContact O-CG 3.31Å; E12-L16 PolarHBondContact O-N 3.07Å; A13-L16 PolarHBondContact O-N 3.09Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.28Å; L16-G20 PolarHBondContact O-N 3.03Å; L16-M52 HydrophobicContact CB-CB 4.02Å; L16-M52 HydrophobicContact CB-CG 3.93Å; L16-M52 HydrophobicContact CB-SD 3.78Å; L16-F123 HydrophobicContact CD1-CE1 4.25Å; L16-F123 HydrophobicContact CD1-CE2 3.86Å; L16-F123 HydrophobicContact CD1-CZ 3.67Å; L16-F123 HydrophobicContact CD2-CE1 4.18Å; L16-F123 HydrophobicContact CD2-CZ 3.88Å; L16-F123 HydrophobicContact CG-CZ 4.31Å
17	F	93	Very high	90.8	Very high	35 Å²	35	67.7 Å²	67.7	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-41.5	172.9	-171.9	-90.8	0	0	0	111.4	A13 L14 F22 K51 M52 L111 K112 D115	A13-F17 WeakPolarHBondContact O-CB 3.34Å; A13-F17 PolarHBondContact O-N 2.74Å; L14-F17 WeakPolarHBondContact O-CB 3.01Å; L14-F17 PolarHBondContact O-N 2.59Å; F17-F22 HydrophobicContact CD1-CZ 4.2Å; F17-F22 AromaticContact CD2-CE1 3.95Å; F17-F22 HydrophobicContact CD2-CE1 3.95Å; F17-F22 AromaticContact CD2-CZ 3.99Å; F17-F22 HydrophobicContact CD2-CZ 3.99Å; F17-F22 HydrophobicContact CE1-CE1 4.44Å; F17-F22 HydrophobicContact CE1-CZ 4.05Å; F17-F22 AromaticContact CE2-CE1 3.5Å; F17-F22 HydrophobicContact CE2-CE1 3.5Å; F17-F22 AromaticContact CE2-CZ 3.83Å; F17-F22 HydrophobicContact CE2-CZ 3.83Å; F17-F22 HydrophobicContact CG-CZ 4.18Å; F17-F22 AromaticContact CZ-CE1 3.79Å; F17-F22 HydrophobicContact CZ-CE1 3.79Å; F17-F22 AromaticContact CZ-CZ 3.87Å; F17-F22 HydrophobicContact CZ-CZ 3.87Å; F17-F22 WeakPolarHBondContact O-CE2 3.45Å; F17-F22 WeakPolarHBondContact O-CZ 3.43Å; F17-K51 HydrophobicContact CD2-CD 3.94Å; F17-K51 HydrophobicContact CE2-CD 3.98Å; F17-M52 HydrophobicContact CB-CG 4.38Å; F17-L111 HydrophobicContact CZ-CB 4.27Å; F17-K112 HydrophobicContact CE1-CG 4.47Å; F17-D115 HydrophobicContact CE2-CB 4.32Å; F17-D115 WeakPolarHBondContact CE2-OD1 3.46Å
18	E	91.9	Very high	91.9	Very high	124 Å²	124	61.3 Å²	61.3	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-74.5	-26.4	-178.4	-73.2	-179.1	173.1	0	0	114.4	L14 R15 L16 K84	L14-E18 WeakPolarHBondContact O-CG 3.02Å; L14-E18 PolarHBondContact O-N 3.14Å; R15-E18 PolarHBondContact O-N 3.22Å; L16-E18 VanDerWaalsContact C-N 3.34Å; E18-K84 VanDerWaalsContact O-CD 3.3Å; E18-K84 WeakPolarHBondContact O-CD 3.31Å; E18-K84 WeakPolarHBondContact O-CE 3.42Å; E18-K84 WeakPolarHBondContact O-CG 3.42Å
19	N	93.5	Very high	92.4	Very high	62 Å²	62	61.4 Å²	61.4	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-115.2	-21.7	-171.9	-63.3	-66	0	0	0	114.1	R15 K84	R15-N19 WeakPolarHBondContact O-CB 3.29Å; R15-N19 PolarHBondContact O-N 3.28Å; R15-N19 VanDerWaalsContact O-N 3.13Å; R15-N19 PolarHBondContact O-ND2 3Å; N19-K84 PolarHBondContact O-N 2.82Å; N19-K84 WeakPolarHBondContact OD1-CE 3.47Å; N19-K84 PolarHBondContact OD1-NZ 2.89Å
20	G	95.1	Very high	92.6	Very high	4 Å²	4	61.9 Å²	61.9	4%	0.041	32%	0.315	C	S	.	.	S	Bend	trans	-75	162.8	177.2	0	0	0	0	0	112.5	L16 F22 I53 K84	L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.28Å; L16-G20 PolarHBondContact O-N 3.03Å; G20-F22 WeakPolarHBondContact O-CE2 3.46Å; G20-I53 CarbonylContact C-O 3.57Å; G20-I53 WeakPolarHBondContact CA-O 3.41Å; G20-K84 WeakPolarHBondContact O-CA 3.38Å
21	G	96.6	Very high	92.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	164.8	170.8	0	0	0	0	0	112.6	M52 I53 Q85	G21-M52 PolarHBondContact O-N 3.05Å; G21-M52 VanDerWaalsContact O-N 3.07Å; G21-I53 PolarHBondContact N-O 3.06Å; G21-I53 PolarHBondContact O-N 2.72Å; G21-Q85 CarbonylContact C-O 3.41Å; G21-Q85 WeakPolarHBondContact CA-O 3.25Å
22	F	97.4	Very high	92.6	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.9	178	-66	-93.5	0	0	0	108.8	F17 G20 F24 K51 Q85 L86 L87 L111 L118	F17-F22 HydrophobicContact CD1-CZ 4.2Å; F17-F22 AromaticContact CD2-CE1 3.95Å; F17-F22 HydrophobicContact CD2-CE1 3.95Å; F17-F22 AromaticContact CD2-CZ 3.99Å; F17-F22 HydrophobicContact CD2-CZ 3.99Å; F17-F22 HydrophobicContact CE1-CE1 4.44Å; F17-F22 HydrophobicContact CE1-CZ 4.05Å; F17-F22 AromaticContact CE2-CE1 3.5Å; F17-F22 HydrophobicContact CE2-CE1 3.5Å; F17-F22 AromaticContact CE2-CZ 3.83Å; F17-F22 HydrophobicContact CE2-CZ 3.83Å; F17-F22 HydrophobicContact CG-CZ 4.18Å; F17-F22 AromaticContact CZ-CE1 3.79Å; F17-F22 HydrophobicContact CZ-CE1 3.79Å; F17-F22 AromaticContact CZ-CZ 3.87Å; F17-F22 HydrophobicContact CZ-CZ 3.87Å; F17-F22 WeakPolarHBondContact O-CE2 3.45Å; F17-F22 WeakPolarHBondContact O-CZ 3.43Å; G20-F22 WeakPolarHBondContact O-CE2 3.46Å; F22-F24 HydrophobicContact CB-CD2 4.37Å; F22-F24 HydrophobicContact CB-CE2 4.28Å; F22-F24 HydrophobicContact CD1-CE2 4.42Å; F22-K51 HydrophobicContact CD1-CB 3.79Å; F22-K51 HydrophobicContact CE1-CB 3.7Å; F22-Q85 PolarHBondContact N-O 2.91Å; F22-L86 HydrophobicContact CB-CD1 3.63Å; F22-L87 PolarHBondContact O-N 3.18Å; F22-L111 HydrophobicContact CD1-CD1 4.5Å; F22-L111 HydrophobicContact CD1-CD2 3.88Å; F22-L111 HydrophobicContact CD2-CD1 4.13Å; F22-L111 HydrophobicContact CE1-CD1 4.38Å; F22-L111 HydrophobicContact CE1-CD2 4.21Å; F22-L111 HydrophobicContact CE2-CD1 4.02Å; F22-L111 HydrophobicContact CG-CD1 4.36Å; F22-L111 HydrophobicContact CG-CD2 4.14Å; F22-L111 HydrophobicContact CZ-CD1 4.14Å; F22-L118 HydrophobicContact CD1-CD1 3.99Å; F22-L118 HydrophobicContact CE1-CD1 4.32Å
23	F	96.9	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	170.1	174.2	-105	0	0	0	108.8	I25 F34 G49 V50 I53 I60 F77 F81 L87 M89	F23-I25 HydrophobicContact CD1-CG2 4.5Å; F23-I25 HydrophobicContact CE1-CB 3.85Å; F23-I25 HydrophobicContact CE1-CG2 3.65Å; F23-I25 HydrophobicContact CZ-CB 3.96Å; F23-I25 HydrophobicContact CZ-CD1 4.32Å; F23-I25 HydrophobicContact CZ-CG2 4.24Å; F23-F34 AromaticContact CD1-CE2 3.99Å; F23-F34 HydrophobicContact CD1-CE2 3.99Å; F23-F34 AromaticContact CD1-CZ 3.96Å; F23-F34 HydrophobicContact CD1-CZ 3.96Å; F23-F34 AromaticContact CE1-CE2 3.48Å; F23-F34 HydrophobicContact CE1-CE2 3.48Å; F23-F34 VanDerWaalsContact CE1-CE2 3.48Å; F23-F34 AromaticContact CE1-CZ 3.95Å; F23-F34 HydrophobicContact CE1-CZ 3.95Å; F23-F34 HydrophobicContact CZ-CE2 4.41Å; F23-G49 CarbonylContact O-C 3.12Å; F23-G49 WeakPolarHBondContact O-CA 3.37Å; F23-V50 PolarHBondContact N-O 3.13Å; F23-V50 PolarHBondContact O-N 3.31Å; F23-I53 HydrophobicContact CB-CD1 3.56Å; F23-I60 HydrophobicContact CB-CD1 4.4Å; F23-I60 HydrophobicContact CD1-CD1 4.4Å; F23-I60 HydrophobicContact CD2-CD1 3.7Å; F23-I60 HydrophobicContact CE1-CG2 4.03Å; F23-I60 HydrophobicContact CE2-CD1 3.99Å; F23-I60 HydrophobicContact CE2-CG2 4.36Å; F23-I60 HydrophobicContact CG-CD1 3.9Å; F23-I60 HydrophobicContact CZ-CD1 4.47Å; F23-I60 HydrophobicContact CZ-CG2 3.89Å; F23-F77 AromaticContact CE2-CZ 3.92Å; F23-F77 HydrophobicContact CE2-CZ 3.92Å; F23-F77 HydrophobicContact CZ-CZ 4.5Å; F23-F81 HydrophobicContact CB-CZ 4.31Å; F23-L87 CarbonylContact C-O 3.52Å; F23-L87 WeakPolarHBondContact CA-O 3.12Å; F23-L87 HydrophobicContact CD2-CB 4.27Å; F23-L87 HydrophobicContact CD2-CD2 3.89Å; F23-L87 HydrophobicContact CD2-CG 4.07Å; F23-L87 HydrophobicContact CE2-CD2 4.22Å; F23-L87 HydrophobicContact CE2-CG 4.46Å; F23-M89 HydrophobicContact CE2-CE 4.02Å; F23-M89 HydrophobicContact CE2-CG 3.43Å; F23-M89 VanDerWaalsContact CE2-CG 3.43Å; F23-M89 HydrophobicContact CE2-SD 4.45Å; F23-M89 HydrophobicContact CZ-CG 3.67Å
24	F	95.4	Very high	92.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.3	177.7	-87.8	-101.3	0	0	0	111.6	F22 K48 L86 L87 L88 M89 I107 L111 L114 L118	F22-F24 HydrophobicContact CB-CD2 4.37Å; F22-F24 HydrophobicContact CB-CE2 4.28Å; F22-F24 HydrophobicContact CD1-CE2 4.42Å; F24-K48 CarbonylContact C-O 3.56Å; F24-K48 WeakPolarHBondContact CA-O 3.45Å; F24-K48 HydrophobicContact CD1-CB 4.42Å; F24-L86 HydrophobicContact CD2-CD1 3.47Å; F24-L86 VanDerWaalsContact CD2-CD1 3.47Å; F24-L86 HydrophobicContact CE2-CD1 3.92Å; F24-L86 HydrophobicContact CG-CD1 4.41Å; F24-L87 PolarHBondContact N-O 2.87Å; F24-L88 HydrophobicContact CB-CD1 3.47Å; F24-L88 VanDerWaalsContact CB-CD1 3.47Å; F24-L88 HydrophobicContact CG-CD1 4.48Å; F24-M89 PolarHBondContact O-N 2.88Å; F24-I107 HydrophobicContact CD1-CG2 4.32Å; F24-I107 HydrophobicContact CD2-CG2 4.24Å; F24-I107 HydrophobicContact CE1-CG2 4.21Å; F24-I107 HydrophobicContact CE2-CG2 4.13Å; F24-I107 HydrophobicContact CG-CG2 4.3Å; F24-I107 HydrophobicContact CZ-CG2 4.07Å; F24-L111 HydrophobicContact CE2-CD2 3.42Å; F24-L111 VanDerWaalsContact CE2-CD2 3.42Å; F24-L111 HydrophobicContact CZ-CD2 3.75Å; F24-L114 HydrophobicContact CE1-CB 4.06Å; F24-L114 HydrophobicContact CE1-CD1 3.78Å; F24-L114 HydrophobicContact CE1-CG 4.4Å; F24-L114 HydrophobicContact CZ-CB 3.92Å; F24-L114 HydrophobicContact CZ-CD1 3.89Å; F24-L118 HydrophobicContact CD1-CD2 4.11Å; F24-L118 HydrophobicContact CD2-CD2 4.18Å; F24-L118 HydrophobicContact CE1-CD1 4.42Å; F24-L118 HydrophobicContact CE1-CD2 3.72Å; F24-L118 HydrophobicContact CE1-CG 4.33Å; F24-L118 HydrophobicContact CE2-CD1 3.69Å; F24-L118 HydrophobicContact CE2-CD2 3.8Å; F24-L118 HydrophobicContact CE2-CG 4.3Å; F24-L118 HydrophobicContact CG-CD2 4.35Å; F24-L118 HydrophobicContact CZ-CD1 3.53Å; F24-L118 HydrophobicContact CZ-CD2 3.59Å; F24-L118 HydrophobicContact CZ-CG 3.91Å
25	I	93.6	Very high	93.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.209	C	C	.	.			trans	-140.5	76	174.3	-167.5	169.2	0	0	0	108.9	F23 N27 L28 F47 K48 V62 M89 F92 L95	F23-I25 HydrophobicContact CD1-CG2 4.5Å; F23-I25 HydrophobicContact CE1-CB 3.85Å; F23-I25 HydrophobicContact CE1-CG2 3.65Å; F23-I25 HydrophobicContact CZ-CB 3.96Å; F23-I25 HydrophobicContact CZ-CD1 4.32Å; F23-I25 HydrophobicContact CZ-CG2 4.24Å; I25-N27 PolarHBondContact O-N 3.07Å; I25-N27 VanDerWaalsContact O-N 3.09Å; I25-L28 HydrophobicContact CD1-CB 4.4Å; I25-L28 HydrophobicContact CD1-CD1 4.32Å; I25-L28 HydrophobicContact CD1-CD2 4.41Å; I25-L28 HydrophobicContact CG1-CB 4.19Å; I25-L28 HydrophobicContact CG2-CB 4.06Å; I25-L28 HydrophobicContact CG2-CD2 3.99Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-F47 HydrophobicContact CG2-CE1 4.14Å; I25-K48 PolarHBondContact N-O 3.07Å; I25-V62 HydrophobicContact CD1-CG1 4.36Å; I25-M89 HydrophobicContact CB-CB 4.27Å; I25-M89 HydrophobicContact CD1-CB 4.46Å; I25-M89 HydrophobicContact CG1-CB 4.04Å; I25-F92 HydrophobicContact CD1-CB 3.58Å; I25-F92 HydrophobicContact CG1-CB 4.02Å; I25-L95 HydrophobicContact CD1-CD2 4.01Å
26	P	87.4	Confident	93.2	Very high	39 Å²	39	30.4 Å²	30.4	25%	0.253	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.4	-161.9	24.4	-34.3	0	0	0	114.7	L88	P26-L88 HydrophobicContact CG-CD1 4.37Å
27	N	87	Confident	93.4	Very high	107 Å²	107	27.9 Å²	27.9	57%	0.572	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	18.8	-172.7	-62.3	-35.8	0	0	0	113.2	I25 P29 F92	I25-N27 PolarHBondContact O-N 3.07Å; I25-N27 VanDerWaalsContact O-N 3.09Å; N27-P29 WeakPolarHBondContact O-CD 3.35Å; N27-F92 HydrophobicContact CB-CD1 4.35Å; N27-F92 WeakPolarHBondContact O-CD1 3.32Å; N27-F92 WeakPolarHBondContact O-CE1 3.43Å
28	L	90.8	Very high	93.3	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.058	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-70.1	120	178.2	-171.6	61.3	0	0	0	110.2	I25 F32 F34 T43 F47 V62 F92	I25-L28 HydrophobicContact CD1-CB 4.4Å; I25-L28 HydrophobicContact CD1-CD1 4.32Å; I25-L28 HydrophobicContact CD1-CD2 4.41Å; I25-L28 HydrophobicContact CG1-CB 4.19Å; I25-L28 HydrophobicContact CG2-CB 4.06Å; I25-L28 HydrophobicContact CG2-CD2 3.99Å; I25-L28 PolarHBondContact O-N 3.38Å; L28-F32 HydrophobicContact CD1-CB 4.11Å; L28-F32 HydrophobicContact CD1-CD1 3.75Å; L28-F32 HydrophobicContact CD1-CE1 4.48Å; L28-F32 HydrophobicContact CD1-CG 4.07Å; L28-F32 HydrophobicContact CG-CB 4.29Å; L28-F34 HydrophobicContact CD2-CB 3.99Å; L28-F34 HydrophobicContact CD2-CD2 4.11Å; L28-F34 HydrophobicContact CD2-CG 4.37Å; L28-T43 HydrophobicContact CD2-CG2 3.49Å; L28-T43 VanDerWaalsContact CD2-CG2 3.49Å; L28-T43 HydrophobicContact CG-CG2 4.04Å; L28-F47 HydrophobicContact CD2-CD1 4.2Å; L28-F47 HydrophobicContact CD2-CE1 3.97Å; L28-V62 HydrophobicContact CD1-CB 4.47Å; L28-V62 HydrophobicContact CD1-CG1 4Å; L28-V62 HydrophobicContact CD2-CG1 4.13Å; L28-F92 HydrophobicContact CD1-CB 3.75Å; L28-F92 HydrophobicContact CD1-CD2 4.17Å; L28-F92 HydrophobicContact CD1-CG 4.02Å
29	P	90.6	Very high	93.4	Very high	48 Å²	48	24.1 Å²	24.1	31%	0.312	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-64.4	152.3	-176.4	-20.9	33.1	0	0	0	112.2	N27 F32 T43 F92	N27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-F32 HydrophobicContact CB-CD2 3.73Å; P29-F32 HydrophobicContact CB-CE2 3.66Å; P29-F32 HydrophobicContact CG-CD2 4.05Å; P29-F32 HydrophobicContact CG-CE2 3.65Å; P29-F32 HydrophobicContact CG-CZ 4.03Å; P29-T43 PolarHBondContact O-OG1 3.17Å; P29-F92 HydrophobicContact CG-CE1 4.1Å; P29-F92 HydrophobicContact CG-CE2 3.96Å; P29-F92 HydrophobicContact CG-CZ 3.62Å
30	A	91.1	Very high	93.4	Very high	62 Å²	62	23.4 Å²	23.4	51%	0.512	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	143.1	173.9	0	0	0	0	0	111.2	F32 P45	A30-F32 VanDerWaalsContact C-N 3.33Å; A30-P45 HydrophobicContact CB-CB 4.45Å
31	G	90.3	Very high	93.3	Very high	30 Å²	30	28.8 Å²	28.8	31%	0.309	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-8.3	-179.6	0	0	0	0	0	114.8	T43 S65	G31-T43 PolarHBondContact N-O 2.72Å; G31-T43 PolarHBondContact N-OG1 3.27Å; G31-T43 VanDerWaalsContact N-OG1 3.14Å; G31-S65 WeakPolarHBondContact O-CB 3.41Å; G31-S65 PolarHBondContact O-OG 2.82Å
32	F	92.1	Very high	93.1	Very high	34 Å²	34	36.4 Å²	36.4	15%	0.149	20%	0.196	C	C	.	.			trans	-63.2	147.5	170.1	-87.2	-123.8	0	0	0	110.4	L28 P29 A30 K42 T43 C64 F92	L28-F32 HydrophobicContact CD1-CB 4.11Å; L28-F32 HydrophobicContact CD1-CD1 3.75Å; L28-F32 HydrophobicContact CD1-CE1 4.48Å; L28-F32 HydrophobicContact CD1-CG 4.07Å; L28-F32 HydrophobicContact CG-CB 4.29Å; P29-F32 HydrophobicContact CB-CD2 3.73Å; P29-F32 HydrophobicContact CB-CE2 3.66Å; P29-F32 HydrophobicContact CG-CD2 4.05Å; P29-F32 HydrophobicContact CG-CE2 3.65Å; P29-F32 HydrophobicContact CG-CZ 4.03Å; A30-F32 VanDerWaalsContact C-N 3.33Å; F32-K42 CarbonylContact O-C 3.52Å; F32-K42 VanDerWaalsContact O-CA 3.28Å; F32-K42 WeakPolarHBondContact O-CA 3.27Å; F32-T43 HydrophobicContact CB-CG2 4.31Å; F32-T43 PolarHBondContact N-OG1 2.86Å; F32-T43 VanDerWaalsContact N-OG1 3.07Å; F32-T43 WeakPolarHBondContact O-CG2 3.43Å; F32-T43 PolarHBondContact O-N 2.88Å; F32-T43 PolarHBondContact O-OG1 3.22Å; F32-C64 HydrophobicContact CD1-CB 4.4Å; F32-C64 HydrophobicContact CE1-CB 3.84Å; F32-C64 HydrophobicContact CE2-CB 4.33Å; F32-C64 HydrophobicContact CZ-CB 3.79Å; F32-F92 HydrophobicContact CE1-CD2 4.07Å; F32-F92 HydrophobicContact CE1-CE2 4.03Å; F32-F92 HydrophobicContact CZ-CE2 4.05Å
33	E	93.7	Very high	93	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.8	160.7	-174.4	-172.9	-148.1	0	0	107.9	S40 W41 F61 V62 S63 Q71 R74	E33-S40 WeakPolarHBondContact OE1-CB 3.14Å; E33-S40 PolarHBondContact OE1-OG 2.94Å; E33-W41 WeakPolarHBondContact CA-O 3.48Å; E33-F61 HydrophobicContact CG-CE2 4.4Å; E33-V62 CarbonylContact O-C 3.46Å; E33-V62 VanDerWaalsContact O-CA 3.24Å; E33-V62 WeakPolarHBondContact O-CA 3.47Å; E33-S63 PolarHBondContact N-O 2.82Å; E33-S63 PolarHBondContact O-N 3.07Å; E33-Q71 PolarHBondContact OE2-NE2 3.14Å; E33-R74 IonicContact OE1-CZ 2.71Å; E33-R74 IonicContact OE1-NE 2.7Å; E33-R74 IonicContact OE1-NH2 2.59Å; E33-R74 PolarHBondContact OE1-NH2 3.46Å; E33-R74 IonicContact OE2-CZ 3.91Å; E33-R74 IonicContact OE2-NE 2.61Å; E33-R74 PolarHBondContact OE2-NE 2.68Å; E33-R74 VanDerWaalsContact OE2-NE 3.12Å; E33-R74 IonicContact OE2-NH2 3Å
34	F	95.1	Very high	92.7	Very high	2 Å²	2	38 Å²	38	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.2	165.7	170.1	-95.3	0	0	0	108.2	F23 L28 I36 S40 W41 T43 F47 V50 I60 V62	F23-F34 AromaticContact CD1-CE2 3.99Å; F23-F34 HydrophobicContact CD1-CE2 3.99Å; F23-F34 AromaticContact CD1-CZ 3.96Å; F23-F34 HydrophobicContact CD1-CZ 3.96Å; F23-F34 AromaticContact CE1-CE2 3.48Å; F23-F34 HydrophobicContact CE1-CE2 3.48Å; F23-F34 VanDerWaalsContact CE1-CE2 3.48Å; F23-F34 AromaticContact CE1-CZ 3.95Å; F23-F34 HydrophobicContact CE1-CZ 3.95Å; F23-F34 HydrophobicContact CZ-CE2 4.41Å; L28-F34 HydrophobicContact CD2-CB 3.99Å; L28-F34 HydrophobicContact CD2-CD2 4.11Å; L28-F34 HydrophobicContact CD2-CG 4.37Å; F34-I36 HydrophobicContact CE1-CB 4.39Å; F34-I36 HydrophobicContact CE1-CG2 4.28Å; F34-I36 HydrophobicContact CZ-CB 4.35Å; F34-S40 CarbonylContact O-C 3.42Å; F34-S40 VanDerWaalsContact O-CA 3.23Å; F34-S40 WeakPolarHBondContact O-CA 3.43Å; F34-W41 HydrophobicContact CD1-CE3 4.33Å; F34-W41 HydrophobicContact CD1-CZ3 4.44Å; F34-W41 HydrophobicContact CE1-CZ3 4.47Å; F34-W41 PolarHBondContact N-O 3.38Å; F34-W41 PolarHBondContact O-N 3.2Å; F34-T43 HydrophobicContact CB-CG2 3.61Å; F34-F47 HydrophobicContact CB-CE1 4.26Å; F34-F47 HydrophobicContact CD1-CE1 4.08Å; F34-F47 HydrophobicContact CD1-CE2 4.41Å; F34-F47 AromaticContact CD1-CZ 3.55Å; F34-F47 HydrophobicContact CD1-CZ 3.55Å; F34-F47 HydrophobicContact CD2-CE1 4.19Å; F34-F47 HydrophobicContact CD2-CZ 4.32Å; F34-F47 AromaticContact CE1-CZ 3.79Å; F34-F47 HydrophobicContact CE1-CZ 3.79Å; F34-F47 AromaticContact CG-CE1 3.88Å; F34-F47 HydrophobicContact CG-CE1 3.88Å; F34-F47 AromaticContact CG-CZ 3.85Å; F34-F47 HydrophobicContact CG-CZ 3.85Å; F34-F47 HydrophobicContact CZ-CZ 4.27Å; F34-V50 HydrophobicContact CE1-CG2 3.43Å; F34-V50 VanDerWaalsContact CE1-CG2 3.43Å; F34-V50 HydrophobicContact CZ-CG2 3.7Å; F34-I60 HydrophobicContact CE2-CG2 3.69Å; F34-I60 HydrophobicContact CZ-CG2 4.15Å; F34-V62 HydrophobicContact CD2-CG1 4.08Å
35	G	95.7	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.1	175	0	0	0	0	0	113.7	N39 I60 F61	G35-N39 CarbonylContact C-O 3.54Å; G35-N39 WeakPolarHBondContact CA-O 3.45Å; G35-I60 WeakPolarHBondContact O-CA 3.4Å; G35-F61 PolarHBondContact N-O 2.85Å; G35-F61 PolarHBondContact O-N 2.66Å
36	I	97.2	Very high	92.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.8	167.2	-174.6	166.6	0	0	0	107.7	F34 Y38 N39 W41 I53 F59 I60 Y121	F34-I36 HydrophobicContact CE1-CB 4.39Å; F34-I36 HydrophobicContact CE1-CG2 4.28Å; F34-I36 HydrophobicContact CZ-CB 4.35Å; I36-Y38 PolarHBondContact O-N 2.85Å; I36-N39 PolarHBondContact N-O 2.97Å; I36-N39 PolarHBondContact O-N 3.3Å; I36-N39 VanDerWaalsContact O-N 3.09Å; I36-N39 PolarHBondContact O-ND2 3.39Å; I36-W41 HydrophobicContact CG2-CH2 4.34Å; I36-W41 HydrophobicContact CG2-CZ3 4.1Å; I36-I53 HydrophobicContact CD1-CD1 4.02Å; I36-I53 HydrophobicContact CD1-CG1 4.3Å; I36-I53 HydrophobicContact CD1-CG2 4.37Å; I36-F59 WeakPolarHBondContact CA-O 3.09Å; I36-I60 HydrophobicContact CB-CG1 4.49Å; I36-I60 HydrophobicContact CD1-CD1 4.36Å; I36-I60 HydrophobicContact CD1-CG1 4.08Å; I36-I60 HydrophobicContact CG1-CG1 4.03Å; I36-Y121 HydrophobicContact CD1-CD2 4.05Å; I36-Y121 HydrophobicContact CD1-CE2 4.06Å; I36-Y121 HydrophobicContact CG1-CE2 4.23Å
37	D	96.4	Very high	93	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-124	-176.8	-53.8	-19.1	0	0	0	111.1	N39 H58 F59 Y121 W129 V254	D37-N39 VanDerWaalsContact C-N 3.3Å; D37-N39 PolarHBondContact O-N 3.48Å; D37-H58 VanDerWaalsContact CG-ND1 3.28Å; D37-H58 WeakPolarHBondContact OD1-CA 3.36Å; D37-H58 WeakPolarHBondContact OD1-CB 3.41Å; D37-H58 IonicContact OD1-CG 2.77Å; D37-H58 IonicContact OD1-ND1 3.27Å; D37-H58 PolarHBondContact OD1-ND1 2.78Å; D37-H58 IonicContact OD2-CE1 2.79Å; D37-H58 PolarHBondContact OD2-CE1 2.76Å; D37-H58 VanDerWaalsContact OD2-CE1 3.3Å; D37-H58 IonicContact OD2-CG 2.68Å; D37-H58 IonicContact OD2-ND1 2.87Å; D37-H58 PolarHBondContact OD2-ND1 3.11Å; D37-F59 PolarHBondContact N-O 3.47Å; D37-F59 PolarHBondContact OD1-N 3.23Å; D37-F59 VanDerWaalsContact OD1-N 3.13Å; D37-Y121 VanDerWaalsContact OD2-CE2 3.25Å; D37-Y121 WeakPolarHBondContact OD2-CE2 3.23Å; D37-Y121 VanDerWaalsContact OD2-CZ 3.28Å; D37-Y121 PolarHBondContact OD2-OH 3.07Å; D37-W129 HydrophobicContact CB-CD2 3.44Å; D37-W129 VanDerWaalsContact CB-CD2 3.44Å; D37-W129 HydrophobicContact CB-CE3 3.51Å; D37-W129 HydrophobicContact CB-CG 3.93Å; D37-W129 HydrophobicContact CB-CH2 4.03Å; D37-W129 HydrophobicContact CB-CZ2 4.01Å; D37-W129 HydrophobicContact CB-CZ3 3.79Å; D37-W129 VanDerWaalsContact CG-CD2 3.47Å; D37-W129 WeakPolarHBondContact OD1-CZ2 3.43Å; D37-W129 PolarHBondContact OD1-NE1 3.48Å; D37-V254 VanDerWaalsContact O-CG1 3.24Å; D37-V254 WeakPolarHBondContact O-CG1 3.33Å
38	Y	90.7	Very high	93.3	Very high	62 Å²	62	48.7 Å²	48.7	24%	0.243	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.4	177.5	-81.6	-51.7	0	0	0	115.6	I36 T128 W129 L132 L253 V254	I36-Y38 PolarHBondContact O-N 2.85Å; Y38-T128 HydrophobicContact CE2-CG2 4.24Å; Y38-W129 AromaticContact CD2-CE3 3.99Å; Y38-W129 HydrophobicContact CD2-CE3 3.99Å; Y38-W129 HydrophobicContact CE2-CE3 4.2Å; Y38-W129 HydrophobicContact CG-CE3 4.47Å; Y38-L132 HydrophobicContact CE2-CD1 3.29Å; Y38-L132 WeakPolarHBondContact OH-CD1 3.05Å; Y38-L253 HydrophobicContact CE1-CD2 3.8Å; Y38-L253 HydrophobicContact CE1-CG 4.39Å; Y38-L253 VanDerWaalsContact OH-CD2 3.29Å; Y38-L253 WeakPolarHBondContact OH-CD2 3.33Å; Y38-V254 HydrophobicContact CD1-CG2 3.86Å; Y38-V254 HydrophobicContact CE1-CG2 3.64Å
39	N	93.9	Very high	93.6	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.102	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.4	-169.9	-47.7	-90.7	0	0	0	108.7	G35 I36 D37 W41 P122 N125	G35-N39 CarbonylContact C-O 3.54Å; G35-N39 WeakPolarHBondContact CA-O 3.45Å; I36-N39 PolarHBondContact N-O 2.97Å; I36-N39 PolarHBondContact O-N 3.3Å; I36-N39 VanDerWaalsContact O-N 3.09Å; I36-N39 PolarHBondContact O-ND2 3.39Å; D37-N39 VanDerWaalsContact C-N 3.3Å; D37-N39 PolarHBondContact O-N 3.48Å; N39-W41 HydrophobicContact CB-CH2 3.36Å; N39-W41 HydrophobicContact CB-CZ2 3.5Å; N39-W41 VanDerWaalsContact CB-CZ2 3.5Å; N39-W41 HydrophobicContact CB-CZ3 4.01Å; N39-P122 HydrophobicContact CB-CB 4.33Å; N39-P122 HydrophobicContact CB-CG 3.68Å; N39-P122 WeakPolarHBondContact ND2-CG 3.45Å; N39-N125 PolarHBondContact OD1-ND2 3.3Å
40	S	93.8	Very high	93.9	Very high	47 Å²	47	46.1 Å²	46.1	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150	172.5	73.7	0	0	0	0	111.9	E33 F34	E33-S40 WeakPolarHBondContact OE1-CB 3.14Å; E33-S40 PolarHBondContact OE1-OG 2.94Å; F34-S40 CarbonylContact O-C 3.42Å; F34-S40 VanDerWaalsContact O-CA 3.23Å; F34-S40 WeakPolarHBondContact O-CA 3.43Å
41	W	93.2	Very high	94.1	Very high	117 Å²	117	44.4 Å²	44.4	44%	0.443	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	160.4	-179.7	-50.4	-88.6	0	0	0	110.6	E33 F34 I36 N39 P122	E33-W41 WeakPolarHBondContact CA-O 3.48Å; F34-W41 HydrophobicContact CD1-CE3 4.33Å; F34-W41 HydrophobicContact CD1-CZ3 4.44Å; F34-W41 HydrophobicContact CE1-CZ3 4.47Å; F34-W41 PolarHBondContact N-O 3.38Å; F34-W41 PolarHBondContact O-N 3.2Å; I36-W41 HydrophobicContact CG2-CH2 4.34Å; I36-W41 HydrophobicContact CG2-CZ3 4.1Å; N39-W41 HydrophobicContact CB-CH2 3.36Å; N39-W41 HydrophobicContact CB-CZ2 3.5Å; N39-W41 VanDerWaalsContact CB-CZ2 3.5Å; N39-W41 HydrophobicContact CB-CZ3 4.01Å; W41-P122 HydrophobicContact CH2-CB 4.2Å; W41-P122 HydrophobicContact CH2-CG 3.68Å; W41-P122 HydrophobicContact CZ2-CB 4.1Å; W41-P122 HydrophobicContact CZ2-CG 4.06Å
42	K	93.3	Very high	94.4	Very high	161 Å²	161	43.5 Å²	43.5	70%	0.7	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.8	165.7	-70.3	-172.3	177.3	-177.9	0	110.3	F32	F32-K42 CarbonylContact O-C 3.52Å; F32-K42 VanDerWaalsContact O-CA 3.28Å; F32-K42 WeakPolarHBondContact O-CA 3.27Å
43	T	93.8	Very high	94.7	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-71.1	135.8	-178.6	55.8	0	0	0	0	111.2	L28 P29 G31 F32 F34 F47	L28-T43 HydrophobicContact CD2-CG2 3.49Å; L28-T43 VanDerWaalsContact CD2-CG2 3.49Å; L28-T43 HydrophobicContact CG-CG2 4.04Å; P29-T43 PolarHBondContact O-OG1 3.17Å; G31-T43 PolarHBondContact N-O 2.72Å; G31-T43 PolarHBondContact N-OG1 3.27Å; G31-T43 VanDerWaalsContact N-OG1 3.14Å; F32-T43 HydrophobicContact CB-CG2 4.31Å; F32-T43 PolarHBondContact N-OG1 2.86Å; F32-T43 VanDerWaalsContact N-OG1 3.07Å; F32-T43 WeakPolarHBondContact O-CG2 3.43Å; F32-T43 PolarHBondContact O-N 2.88Å; F32-T43 PolarHBondContact O-OG1 3.22Å; F34-T43 HydrophobicContact CB-CG2 3.61Å; T43-F47 HydrophobicContact CG2-CD1 3.78Å; T43-F47 HydrophobicContact CG2-CE1 4.15Å; T43-F47 HydrophobicContact CG2-CG 4.43Å
44	G	92.6	Very high	94.8	Very high	32 Å²	32	42.8 Å²	42.8	33%	0.33	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-89.3	167.2	170	0	0	0	0	0	112	K46 F47	G44-K46 PolarHBondContact O-N 3.14Å; G44-F47 WeakPolarHBondContact O-CB 3.4Å; G44-F47 PolarHBondContact O-N 2.96Å; G44-F47 VanDerWaalsContact O-N 3.07Å
45	P	92.1	Very high	94.8	Very high	126 Å²	126	46.3 Å²	46.3	82%	0.818	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.9	-177	27.3	-36.3	0	0	0	114.6	A30	A30-P45 HydrophobicContact CB-CB 4.45Å
46	K	93.9	Very high	94.9	Very high	143 Å²	143	46.9 Å²	46.9	62%	0.622	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-6.5	178.9	-70.6	-172.1	-179.8	-175.5	0	113.3	G44 K48 Y117	G44-K46 PolarHBondContact O-N 3.14Å; K46-K48 PolarHBondContact O-N 3.11Å; K46-Y117 HydrophobicContact CB-CD1 4.04Å; K46-Y117 HydrophobicContact CB-CE1 4.45Å; K46-Y117 HydrophobicContact CD-CE1 4.49Å; K46-Y117 HydrophobicContact CG-CE1 4.49Å; K46-Y117 WeakPolarHBondContact O-CB 3.08Å; K46-Y117 VanDerWaalsContact O-CD1 3.31Å; K46-Y117 WeakPolarHBondContact O-CD1 3.05Å
47	F	95	Very high	94.9	Very high	39 Å²	39	47.2 Å²	47.2	17%	0.171	25%	0.247	C	C	.	.			trans	-67.2	129.2	-175.2	177.7	-100.2	0	0	0	110.4	I25 L28 F34 T43 G44 G49 V50	I25-F47 HydrophobicContact CG2-CE1 4.14Å; L28-F47 HydrophobicContact CD2-CD1 4.2Å; L28-F47 HydrophobicContact CD2-CE1 3.97Å; F34-F47 HydrophobicContact CB-CE1 4.26Å; F34-F47 HydrophobicContact CD1-CE1 4.08Å; F34-F47 HydrophobicContact CD1-CE2 4.41Å; F34-F47 AromaticContact CD1-CZ 3.55Å; F34-F47 HydrophobicContact CD1-CZ 3.55Å; F34-F47 HydrophobicContact CD2-CE1 4.19Å; F34-F47 HydrophobicContact CD2-CZ 4.32Å; F34-F47 AromaticContact CE1-CZ 3.79Å; F34-F47 HydrophobicContact CE1-CZ 3.79Å; F34-F47 AromaticContact CG-CE1 3.88Å; F34-F47 HydrophobicContact CG-CE1 3.88Å; F34-F47 AromaticContact CG-CZ 3.85Å; F34-F47 HydrophobicContact CG-CZ 3.85Å; F34-F47 HydrophobicContact CZ-CZ 4.27Å; T43-F47 HydrophobicContact CG2-CD1 3.78Å; T43-F47 HydrophobicContact CG2-CE1 4.15Å; T43-F47 HydrophobicContact CG2-CG 4.43Å; G44-F47 WeakPolarHBondContact O-CB 3.4Å; G44-F47 PolarHBondContact O-N 2.96Å; G44-F47 VanDerWaalsContact O-N 3.07Å; F47-G49 WeakPolarHBondContact CE2-O 3.27Å; F47-V50 HydrophobicContact CZ-CG2 4.32Å
48	K	94.8	Very high	95	Very high	65 Å²	65	47.5 Å²	47.5	28%	0.283	25%	0.248	S	C	.	.			trans	-128.1	-0.6	176.8	-66.5	-173.7	179.9	-177.7	0	113.9	F24 I25 K46 Y117	F24-K48 CarbonylContact C-O 3.56Å; F24-K48 WeakPolarHBondContact CA-O 3.45Å; F24-K48 HydrophobicContact CD1-CB 4.42Å; I25-K48 PolarHBondContact N-O 3.07Å; K46-K48 PolarHBondContact O-N 3.11Å; K48-Y117 HydrophobicContact CD-CD2 4.41Å; K48-Y117 HydrophobicContact CD-CG 4.03Å; K48-Y117 HydrophobicContact CG-CG 4.45Å; K48-Y117 PolarHBondContact N-O 3.18Å
49	G	95.8	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-161.1	179.5	0	0	0	0	0	115	F23 F47 L118 G119	F23-G49 CarbonylContact O-C 3.12Å; F23-G49 WeakPolarHBondContact O-CA 3.37Å; F47-G49 WeakPolarHBondContact CE2-O 3.27Å; G49-L118 WeakPolarHBondContact O-CA 3.32Å; G49-G119 PolarHBondContact O-N 2.8Å
50	V	97	Very high	95.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.7	-174	-177.5	0	0	0	0	110.4	F23 F34 F47 I53 G119	F23-V50 PolarHBondContact N-O 3.13Å; F23-V50 PolarHBondContact O-N 3.31Å; F34-V50 HydrophobicContact CE1-CG2 3.43Å; F34-V50 VanDerWaalsContact CE1-CG2 3.43Å; F34-V50 HydrophobicContact CZ-CG2 3.7Å; F47-V50 HydrophobicContact CZ-CG2 4.32Å; V50-I53 HydrophobicContact CB-CD1 4.27Å; V50-I53 HydrophobicContact CB-CG1 4.45Å; V50-I53 HydrophobicContact CG1-CD1 4.28Å; V50-I53 HydrophobicContact CG1-CG1 3.94Å; V50-G119 CarbonylContact C-O 3.51Å; V50-G119 VanDerWaalsContact CA-O 3.27Å; V50-G119 WeakPolarHBondContact CA-O 3.43Å; V50-G119 WeakPolarHBondContact CG1-O 3.27Å
51	K	96.5	Very high	95.6	Very high	27 Å²	27	41.6 Å²	41.6	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164.3	175.7	59.8	-176.3	178	-162.4	0	111.2	F17 F22 I53 D115 L118 G119 Y121	F17-K51 HydrophobicContact CD2-CD 3.94Å; F17-K51 HydrophobicContact CE2-CD 3.98Å; F22-K51 HydrophobicContact CD1-CB 3.79Å; F22-K51 HydrophobicContact CE1-CB 3.7Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-D115 WeakPolarHBondContact CD-OD1 3.47Å; K51-D115 VanDerWaalsContact CE-OD1 3.31Å; K51-D115 WeakPolarHBondContact CE-OD1 3.48Å; K51-D115 PolarHBondContact NZ-O 3.43Å; K51-D115 VanDerWaalsContact NZ-O 3.14Å; K51-D115 IonicContact NZ-OD1 3.64Å; K51-D115 PolarHBondContact NZ-OD1 2.81Å; K51-D115 IonicContact NZ-OD2 3.53Å; K51-D115 PolarHBondContact NZ-OD2 2.72Å; K51-L118 HydrophobicContact CB-CB 4.09Å; K51-L118 HydrophobicContact CB-CD1 3.97Å; K51-L118 HydrophobicContact CD-CB 3.9Å; K51-L118 WeakPolarHBondContact CE-O 3.12Å; K51-L118 HydrophobicContact CG-CB 3.97Å; K51-G119 WeakPolarHBondContact CG-O 3.23Å; K51-G119 PolarHBondContact N-O 3.45Å; K51-Y121 WeakPolarHBondContact O-CB 3.38Å; K51-Y121 PolarHBondContact O-N 2.79Å
52	M	96.6	Very high	95.6	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.5	30.7	175.3	-54	-178.4	-72.4	0	0	113.4	L16 F17 G21 P54 A120 F123	L16-M52 HydrophobicContact CB-CB 4.02Å; L16-M52 HydrophobicContact CB-CG 3.93Å; L16-M52 HydrophobicContact CB-SD 3.78Å; F17-M52 HydrophobicContact CB-CG 4.38Å; G21-M52 PolarHBondContact O-N 3.05Å; G21-M52 VanDerWaalsContact O-N 3.07Å; M52-P54 WeakPolarHBondContact O-CD 3.36Å; M52-A120 HydrophobicContact CE-CB 3.24Å; M52-F123 HydrophobicContact CB-CE2 4.22Å; M52-F123 HydrophobicContact CB-CZ 4.28Å; M52-F123 VanDerWaalsContact O-CZ 3.27Å; M52-F123 WeakPolarHBondContact O-CZ 3.21Å
53	I	97.4	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.4	-179.2	-56.1	173.5	0	0	0	108.7	G20 G21 F23 I36 V50 K51 F81 Y121	G20-I53 CarbonylContact C-O 3.57Å; G20-I53 WeakPolarHBondContact CA-O 3.41Å; G21-I53 PolarHBondContact N-O 3.06Å; G21-I53 PolarHBondContact O-N 2.72Å; F23-I53 HydrophobicContact CB-CD1 3.56Å; I36-I53 HydrophobicContact CD1-CD1 4.02Å; I36-I53 HydrophobicContact CD1-CG1 4.3Å; I36-I53 HydrophobicContact CD1-CG2 4.37Å; V50-I53 HydrophobicContact CB-CD1 4.27Å; V50-I53 HydrophobicContact CB-CG1 4.45Å; V50-I53 HydrophobicContact CG1-CD1 4.28Å; V50-I53 HydrophobicContact CG1-CG1 3.94Å; K51-I53 VanDerWaalsContact C-N 3.32Å; I53-F81 HydrophobicContact CD1-CE1 3.98Å; I53-F81 HydrophobicContact CD1-CE2 4.18Å; I53-F81 HydrophobicContact CD1-CZ 3.73Å; I53-F81 HydrophobicContact CG2-CD1 4.38Å; I53-F81 HydrophobicContact CG2-CD2 3.77Å; I53-F81 HydrophobicContact CG2-CE2 4.05Å; I53-F81 HydrophobicContact CG2-CG 3.95Å; I53-F81 HydrophobicContact CG2-CZ 4.47Å; I53-Y121 HydrophobicContact CG1-CD2 4.33Å; I53-Y121 HydrophobicContact CG2-CD2 4.4Å
54	P	96	Very high	95.3	Very high	33 Å²	33	30.7 Å²	30.7	21%	0.214	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-58.9	150.2	175.9	-24.8	35.1	0	0	0	112.1	M52 H58 Y121 F123	M52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-H58 PolarHBondContact O-NE2 2.9Å; P54-Y121 HydrophobicContact CG-CD1 4.06Å; P54-Y121 HydrophobicContact CG-CE1 3.89Å; P54-F123 HydrophobicContact CG-CE1 3.85Å; P54-F123 HydrophobicContact CG-CZ 4.42Å
55	P	96.2	Very high	94.5	Very high	77 Å²	77	30.9 Å²	30.9	50%	0.5	17%	0.174	S	C	.	.	S	Bend	trans	-62.8	141	167.4	-20.5	32.8	0	0	0	110.9	F81 P83	P55-F81 CarbonylContact C-O 3.52Å; P55-F81 VanDerWaalsContact CA-O 3.26Å; P55-F81 WeakPolarHBondContact CA-O 3.24Å; P55-P83 HydrophobicContact CB-CG 4.22Å; P55-P83 HydrophobicContact CG-CB 4.3Å; P55-P83 HydrophobicContact CG-CG 3.89Å
56	G	96.9	Very high	93.2	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.6	-169.9	-179	0	0	0	0	0	113.7	H58 Y80 F81	G56-H58 PolarHBondContact O-CD2 2.85Å; G56-Y80 CarbonylContact O-C 3.53Å; G56-Y80 WeakPolarHBondContact O-CA 3.25Å; G56-F81 PolarHBondContact N-O 3.48Å; G56-F81 PolarHBondContact O-N 3.09Å
57	C	97.8	Very high	91.5	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	-179	176.6	0	0	0	0	111.6	F78 Y80 W129 I136	C57-F78 VanDerWaalsContact SG-CD1 3.57Å; C57-Y80 HydrophobicContact CB-CD2 4.13Å; C57-Y80 HydrophobicContact CB-CE2 4.48Å; C57-W129 PolarHBondContact O-NE1 3.14Å; C57-I136 HydrophobicContact CB-CB 4.17Å; C57-I136 HydrophobicContact CB-CG2 4.28Å; C57-I136 WeakPolarHBondContact CB-O 3.05Å; C57-I136 VanDerWaalsContact SG-CG2 3.52Å
58	H	98	Very high	89.7	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.8	174.8	-72.3	-76.4	0	0	0	110.4	D37 P54 G56 F78 H79 F81 Y121 W129	D37-H58 VanDerWaalsContact CG-ND1 3.28Å; D37-H58 WeakPolarHBondContact OD1-CA 3.36Å; D37-H58 WeakPolarHBondContact OD1-CB 3.41Å; D37-H58 IonicContact OD1-CG 2.77Å; D37-H58 IonicContact OD1-ND1 3.27Å; D37-H58 PolarHBondContact OD1-ND1 2.78Å; D37-H58 IonicContact OD2-CE1 2.79Å; D37-H58 PolarHBondContact OD2-CE1 2.76Å; D37-H58 VanDerWaalsContact OD2-CE1 3.3Å; D37-H58 IonicContact OD2-CG 2.68Å; D37-H58 IonicContact OD2-ND1 2.87Å; D37-H58 PolarHBondContact OD2-ND1 3.11Å; P54-H58 PolarHBondContact O-NE2 2.9Å; G56-H58 PolarHBondContact O-CD2 2.85Å; H58-F78 WeakPolarHBondContact O-CA 3.35Å; H58-H79 PolarHBondContact N-O 3.47Å; H58-H79 PolarHBondContact O-N 2.89Å; H58-F81 HydrophobicContact CB-CD2 4.1Å; H58-F81 HydrophobicContact CB-CE2 4.2Å; H58-F81 AromaticContact CD2-CD2 3.66Å; H58-Y121 AromaticContact CE1-CE2 3.66Å; H58-Y121 AromaticContact CE1-CZ 3.77Å; H58-Y121 AromaticContact ND1-CE2 3.82Å; H58-W129 AromaticContact ND1-NE1 3.78Å
59	F	97.7	Very high	88.1	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.3	173.6	-174.6	-105.8	0	0	0	109	I36 D37 F61 F77 F78 W129 I151 I250 V254	I36-F59 WeakPolarHBondContact CA-O 3.09Å; D37-F59 PolarHBondContact N-O 3.47Å; D37-F59 PolarHBondContact OD1-N 3.23Å; D37-F59 VanDerWaalsContact OD1-N 3.13Å; F59-F61 AromaticContact CD1-CD1 3.76Å; F59-F61 HydrophobicContact CD1-CD1 3.76Å; F59-F61 HydrophobicContact CD1-CE1 4.48Å; F59-F61 HydrophobicContact CE1-CB 3.98Å; F59-F61 AromaticContact CE1-CD1 3.8Å; F59-F61 HydrophobicContact CE1-CD1 3.8Å; F59-F61 HydrophobicContact CE1-CG 4.23Å; F59-F77 WeakPolarHBondContact CD2-O 3.45Å; F59-F78 HydrophobicContact CB-CD1 4.22Å; F59-F78 HydrophobicContact CB-CE1 4.05Å; F59-F78 HydrophobicContact CB-CZ 4.42Å; F59-F78 HydrophobicContact CD2-CD1 4.1Å; F59-F78 AromaticContact CD2-CD2 3.58Å; F59-F78 HydrophobicContact CD2-CD2 3.58Å; F59-F78 HydrophobicContact CD2-CE1 4.03Å; F59-F78 AromaticContact CD2-CE2 3.46Å; F59-F78 HydrophobicContact CD2-CE2 3.46Å; F59-F78 VanDerWaalsContact CD2-CE2 3.46Å; F59-F78 AromaticContact CD2-CG 3.92Å; F59-F78 HydrophobicContact CD2-CG 3.92Å; F59-F78 AromaticContact CD2-CZ 3.72Å; F59-F78 HydrophobicContact CD2-CZ 3.72Å; F59-F78 AromaticContact CE2-CD2 3.98Å; F59-F78 HydrophobicContact CE2-CD2 3.98Å; F59-F78 AromaticContact CE2-CE2 3.78Å; F59-F78 HydrophobicContact CE2-CE2 3.78Å; F59-F78 HydrophobicContact CE2-CZ 4.37Å; F59-F78 HydrophobicContact CG-CE1 4.41Å; F59-F78 HydrophobicContact CG-CE2 4.46Å; F59-F78 HydrophobicContact CG-CZ 4.32Å; F59-W129 HydrophobicContact CB-CH2 3.68Å; F59-W129 HydrophobicContact CB-CZ2 3.93Å; F59-I151 HydrophobicContact CE2-CD1 4.4Å; F59-I250 HydrophobicContact CB-CG2 4.02Å; F59-I250 HydrophobicContact CG-CG2 4.16Å; F59-V254 HydrophobicContact CD1-CB 4.18Å; F59-V254 HydrophobicContact CD1-CG1 3.66Å; F59-V254 HydrophobicContact CE1-CB 4.44Å; F59-V254 HydrophobicContact CE1-CG1 4.03Å
60	I	96.9	Very high	86.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.6	-178.3	-60.7	173	0	0	0	108	F23 F34 G35 I36 G76 F77 F81	F23-I60 HydrophobicContact CB-CD1 4.4Å; F23-I60 HydrophobicContact CD1-CD1 4.4Å; F23-I60 HydrophobicContact CD2-CD1 3.7Å; F23-I60 HydrophobicContact CE1-CG2 4.03Å; F23-I60 HydrophobicContact CE2-CD1 3.99Å; F23-I60 HydrophobicContact CE2-CG2 4.36Å; F23-I60 HydrophobicContact CG-CD1 3.9Å; F23-I60 HydrophobicContact CZ-CD1 4.47Å; F23-I60 HydrophobicContact CZ-CG2 3.89Å; F34-I60 HydrophobicContact CE2-CG2 3.69Å; F34-I60 HydrophobicContact CZ-CG2 4.15Å; G35-I60 WeakPolarHBondContact O-CA 3.4Å; I36-I60 HydrophobicContact CB-CG1 4.49Å; I36-I60 HydrophobicContact CD1-CD1 4.36Å; I36-I60 HydrophobicContact CD1-CG1 4.08Å; I36-I60 HydrophobicContact CG1-CG1 4.03Å; I60-G76 CarbonylContact O-C 3.47Å; I60-G76 WeakPolarHBondContact O-CA 3.34Å; I60-F77 HydrophobicContact CB-CE1 3.96Å; I60-F77 HydrophobicContact CB-CE2 4.45Å; I60-F77 HydrophobicContact CB-CZ 3.85Å; I60-F77 HydrophobicContact CD1-CE2 4.32Å; I60-F77 HydrophobicContact CD1-CZ 3.98Å; I60-F77 HydrophobicContact CG1-CZ 4.44Å; I60-F77 HydrophobicContact CG2-CE1 4.06Å; I60-F77 HydrophobicContact CG2-CZ 4.14Å; I60-F77 PolarHBondContact N-O 3.39Å; I60-F77 PolarHBondContact O-N 3.46Å; I60-F81 HydrophobicContact CD1-CE2 4.04Å; I60-F81 HydrophobicContact CD1-CZ 4.16Å
61	F	95.6	Very high	85.5	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.4	179.7	63.3	-89.2	0	0	0	112.8	E33 G35 F59 R74 I75 V254	E33-F61 HydrophobicContact CG-CE2 4.4Å; G35-F61 PolarHBondContact N-O 2.85Å; G35-F61 PolarHBondContact O-N 2.66Å; F59-F61 AromaticContact CD1-CD1 3.76Å; F59-F61 HydrophobicContact CD1-CD1 3.76Å; F59-F61 HydrophobicContact CD1-CE1 4.48Å; F59-F61 HydrophobicContact CE1-CB 3.98Å; F59-F61 AromaticContact CE1-CD1 3.8Å; F59-F61 HydrophobicContact CE1-CD1 3.8Å; F59-F61 HydrophobicContact CE1-CG 4.23Å; F61-R74 HydrophobicContact CD2-CB 4.49Å; F61-R74 HydrophobicContact CD2-CG 3.97Å; F61-R74 HydrophobicContact CE2-CG 4.38Å; F61-R74 VanDerWaalsContact CE2-CZ 3.5Å; F61-I75 CarbonylContact C-O 3.55Å; F61-I75 VanDerWaalsContact CA-O 3.25Å; F61-I75 WeakPolarHBondContact CA-O 3.3Å; F61-V254 HydrophobicContact CD1-CG1 3.91Å; F61-V254 HydrophobicContact CE1-CG1 3.41Å; F61-V254 VanDerWaalsContact CE1-CG1 3.41Å; F61-V254 HydrophobicContact CZ-CG1 4.17Å
62	V	94.5	Very high	85	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.6	172.1	-64.5	0	0	0	0	109.9	I25 L28 E33 F34 I75 L95	I25-V62 HydrophobicContact CD1-CG1 4.36Å; L28-V62 HydrophobicContact CD1-CB 4.47Å; L28-V62 HydrophobicContact CD1-CG1 4Å; L28-V62 HydrophobicContact CD2-CG1 4.13Å; E33-V62 CarbonylContact O-C 3.46Å; E33-V62 VanDerWaalsContact O-CA 3.24Å; E33-V62 WeakPolarHBondContact O-CA 3.47Å; F34-V62 HydrophobicContact CD2-CG1 4.08Å; V62-I75 PolarHBondContact N-O 3.41Å; V62-I75 PolarHBondContact O-N 2.86Å; V62-L95 HydrophobicContact CG2-CD1 4.27Å; V62-L95 HydrophobicContact CG2-CD2 4.08Å; V62-L95 HydrophobicContact CG2-CG 4.49Å
63	S	92.6	Very high	84.7	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.3	168.6	165.5	0	0	0	0	109.7	E33 S65 Q71 A72	E33-S63 PolarHBondContact N-O 2.82Å; E33-S63 PolarHBondContact O-N 3.07Å; S63-S65 PolarHBondContact O-N 2.85Å; S63-Q71 VanDerWaalsContact OG-CG 3.25Å; S63-Q71 WeakPolarHBondContact OG-CG 3.29Å; S63-A72 PolarHBondContact OG-O 3.36Å
64	C	87.6	Confident	84.5	Confident	51 Å²	51	44 Å²	44	35%	0.345	31%	0.306	S	S	.	.			trans	-75.5	122.7	173.5	-176.2	0	0	0	0	109.8	F32 A72	F32-C64 HydrophobicContact CD1-CB 4.4Å; F32-C64 HydrophobicContact CE1-CB 3.84Å; F32-C64 HydrophobicContact CE2-CB 4.33Å; F32-C64 HydrophobicContact CZ-CB 3.79Å; C64-A72 HydrophobicContact CB-CB 3.76Å; C64-A72 WeakPolarHBondContact O-CB 3.38Å; C64-A72 PolarHBondContact O-N 2.81Å
65	S	76.3	Confident	84.4	Confident	35 Å²	35	44.3 Å²	44.3	25%	0.245	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-88.6	107.7	169.5	-39	0	0	0	0	108.9	G31 S63	G31-S65 WeakPolarHBondContact O-CB 3.41Å; G31-S65 PolarHBondContact O-OG 2.82Å; S63-S65 PolarHBondContact O-N 2.85Å
66	G	64	Low	84.3	Confident	36 Å²	36	40.7 Å²	40.7	37%	0.371	28%	0.282	S	S	.	.			trans	-69	149.1	173.7	0	0	0	0	0	112.3	Q68 G69 G70	G66-Q68 PolarHBondContact O-N 2.79Å; G66-Q68 VanDerWaalsContact O-N 3.11Å; G66-G69 PolarHBondContact O-N 3.12Å; G66-G70 WeakPolarHBondContact CA-O 3.27Å; G66-G70 PolarHBondContact N-O 2.9Å
67	G	57.7	Low	84.3	Confident	93 Å²	93	40.8 Å²	40.8	96%	0.959	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.8	-178.8	0	0	0	0	0	115.4
68	Q	58.7	Low	84.3	Confident	198 Å²	198	40.8 Å²	40.8	93%	0.925	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	24.3	177	-66.7	-167	-12.6	0	0	113.4	G66 G70	G66-Q68 PolarHBondContact O-N 2.79Å; G66-Q68 VanDerWaalsContact O-N 3.11Å; Q68-G70 PolarHBondContact O-N 2.69Å
69	G	59.5	Low	84.3	Confident	76 Å²	76	42 Å²	42	78%	0.784	28%	0.284	S	S	*	.	S	Bend	trans	78.6	-3.2	177.2	0	0	0	0	0	114.9	G66	G66-G69 PolarHBondContact O-N 3.12Å
70	G	63.5	Low	84.2	Confident	47 Å²	47	46 Å²	46	49%	0.485	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-72	126.6	170.4	0	0	0	0	0	111	G66 Q68	G66-G70 WeakPolarHBondContact CA-O 3.27Å; G66-G70 PolarHBondContact N-O 2.9Å; Q68-G70 PolarHBondContact O-N 2.69Å
71	Q	75.1	Confident	84.3	Confident	115 Å²	115	46 Å²	46	54%	0.537	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-101.4	126.6	174.8	-169	165.3	13.3	0	0	108.6	E33 S63	E33-Q71 PolarHBondContact OE2-NE2 3.14Å; S63-Q71 VanDerWaalsContact OG-CG 3.25Å; S63-Q71 WeakPolarHBondContact OG-CG 3.29Å
72	A	87	Confident	84.3	Confident	40 Å²	40	50.9 Å²	50.9	33%	0.331	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.9	159	174.6	0	0	0	0	0	110.3	S63 C64 R74	S63-A72 PolarHBondContact OG-O 3.36Å; C64-A72 HydrophobicContact CB-CB 3.76Å; C64-A72 WeakPolarHBondContact O-CB 3.38Å; C64-A72 PolarHBondContact O-N 2.81Å; A72-R74 PolarHBondContact O-N 3.09Å
73	P	89.9	Confident	84.4	Confident	52 Å²	52	54.2 Å²	54.2	34%	0.338	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-50.8	141.6	171	-23.8	32	0	0	0	111.2	A153 Q154	P73-A153 HydrophobicContact CB-CB 4.12Å; P73-Q154 HydrophobicContact CB-CB 3.84Å; P73-Q154 HydrophobicContact CG-CB 3.72Å; P73-Q154 VanDerWaalsContact CG-OE1 3.25Å
74	R	93	Very high	84.5	Confident	33 Å²	33	59.7 Å²	59.7	13%	0.125	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.5	134.2	171.7	-75.1	-178.3	173.8	168	2.2	109	E33 F61 A72 S152 A153 V254 H256	E33-R74 IonicContact OE1-CZ 2.71Å; E33-R74 IonicContact OE1-NE 2.7Å; E33-R74 IonicContact OE1-NH2 2.59Å; E33-R74 PolarHBondContact OE1-NH2 3.46Å; E33-R74 IonicContact OE2-CZ 3.91Å; E33-R74 IonicContact OE2-NE 2.61Å; E33-R74 PolarHBondContact OE2-NE 2.68Å; E33-R74 VanDerWaalsContact OE2-NE 3.12Å; E33-R74 IonicContact OE2-NH2 3Å; F61-R74 HydrophobicContact CD2-CB 4.49Å; F61-R74 HydrophobicContact CD2-CG 3.97Å; F61-R74 HydrophobicContact CE2-CG 4.38Å; F61-R74 VanDerWaalsContact CE2-CZ 3.5Å; A72-R74 PolarHBondContact O-N 3.09Å; R74-S152 WeakPolarHBondContact O-CA 3.38Å; R74-A153 HydrophobicContact CB-CB 4.44Å; R74-A153 PolarHBondContact O-N 3.44Å; R74-V254 WeakPolarHBondContact CD-O 3.43Å; R74-V254 PolarHBondContact NH1-O 2.62Å; R74-H256 PolarHBondContact NH1-CE1 3.06Å; R74-H256 PolarHBondContact NH1-NE2 3.25Å
75	I	93.4	Very high	84.9	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.205	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.7	170.5	-55.2	173.8	0	0	0	106.3	F61 V62 L95 R150 I151	F61-I75 CarbonylContact C-O 3.55Å; F61-I75 VanDerWaalsContact CA-O 3.25Å; F61-I75 WeakPolarHBondContact CA-O 3.3Å; V62-I75 PolarHBondContact N-O 3.41Å; V62-I75 PolarHBondContact O-N 2.86Å; I75-L95 HydrophobicContact CG2-CD1 4.02Å; I75-R150 HydrophobicContact CG2-CB 4.22Å; I75-I151 CarbonylContact C-O 3.58Å; I75-I151 WeakPolarHBondContact CA-O 3.38Å
76	G	95.4	Very high	85.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-177.3	-177.4	0	0	0	0	0	113.2	I60 I151	I60-G76 CarbonylContact O-C 3.47Å; I60-G76 WeakPolarHBondContact O-CA 3.34Å; G76-I151 PolarHBondContact N-O 2.84Å; G76-I151 PolarHBondContact O-N 3.13Å
77	F	96.2	Very high	87.3	Confident	14 Å²	14	57.5 Å²	57.5	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.7	178.2	62.1	-81	0	0	0	109.5	F23 F59 I60 H79 L87 M89 L95 K149	F23-F77 AromaticContact CE2-CZ 3.92Å; F23-F77 HydrophobicContact CE2-CZ 3.92Å; F23-F77 HydrophobicContact CZ-CZ 4.5Å; F59-F77 WeakPolarHBondContact CD2-O 3.45Å; I60-F77 HydrophobicContact CB-CE1 3.96Å; I60-F77 HydrophobicContact CB-CE2 4.45Å; I60-F77 HydrophobicContact CB-CZ 3.85Å; I60-F77 HydrophobicContact CD1-CE2 4.32Å; I60-F77 HydrophobicContact CD1-CZ 3.98Å; I60-F77 HydrophobicContact CG1-CZ 4.44Å; I60-F77 HydrophobicContact CG2-CE1 4.06Å; I60-F77 HydrophobicContact CG2-CZ 4.14Å; I60-F77 PolarHBondContact N-O 3.39Å; I60-F77 PolarHBondContact O-N 3.46Å; F77-H79 HydrophobicContact CD2-CB 4.24Å; F77-H79 HydrophobicContact CE2-CB 3.95Å; F77-L87 HydrophobicContact CE2-CD2 3.88Å; F77-L87 HydrophobicContact CZ-CD2 4.17Å; F77-M89 HydrophobicContact CE1-CE 4.07Å; F77-M89 HydrophobicContact CE1-SD 4.44Å; F77-M89 HydrophobicContact CE2-CE 3.9Å; F77-M89 HydrophobicContact CZ-CE 3.47Å; F77-M89 VanDerWaalsContact CZ-CE 3.47Å; F77-M89 HydrophobicContact CZ-SD 4.37Å; F77-L95 HydrophobicContact CD1-CB 3.91Å; F77-L95 HydrophobicContact CD1-CD1 3.65Å; F77-L95 HydrophobicContact CD1-CG 4.29Å; F77-L95 HydrophobicContact CE1-CB 4.01Å; F77-L95 HydrophobicContact CE1-CD1 3.96Å; F77-L95 HydrophobicContact CE1-CD2 4.33Å; F77-L95 HydrophobicContact CE1-CG 4.32Å; F77-K149 WeakPolarHBondContact CB-O 3.17Å
78	F	97.5	Very high	89.1	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.7	168.5	-76.9	-91.1	0	0	0	110.1	C57 H58 F59 I136 I141 I151 F247 I250 C251	C57-F78 VanDerWaalsContact SG-CD1 3.57Å; H58-F78 WeakPolarHBondContact O-CA 3.35Å; F59-F78 HydrophobicContact CB-CD1 4.22Å; F59-F78 HydrophobicContact CB-CE1 4.05Å; F59-F78 HydrophobicContact CB-CZ 4.42Å; F59-F78 HydrophobicContact CD2-CD1 4.1Å; F59-F78 AromaticContact CD2-CD2 3.58Å; F59-F78 HydrophobicContact CD2-CD2 3.58Å; F59-F78 HydrophobicContact CD2-CE1 4.03Å; F59-F78 AromaticContact CD2-CE2 3.46Å; F59-F78 HydrophobicContact CD2-CE2 3.46Å; F59-F78 VanDerWaalsContact CD2-CE2 3.46Å; F59-F78 AromaticContact CD2-CG 3.92Å; F59-F78 HydrophobicContact CD2-CG 3.92Å; F59-F78 AromaticContact CD2-CZ 3.72Å; F59-F78 HydrophobicContact CD2-CZ 3.72Å; F59-F78 AromaticContact CE2-CD2 3.98Å; F59-F78 HydrophobicContact CE2-CD2 3.98Å; F59-F78 AromaticContact CE2-CE2 3.78Å; F59-F78 HydrophobicContact CE2-CE2 3.78Å; F59-F78 HydrophobicContact CE2-CZ 4.37Å; F59-F78 HydrophobicContact CG-CE1 4.41Å; F59-F78 HydrophobicContact CG-CE2 4.46Å; F59-F78 HydrophobicContact CG-CZ 4.32Å; F78-I136 HydrophobicContact CE1-CD1 4.27Å; F78-I141 HydrophobicContact CB-CB 4.45Å; F78-I141 HydrophobicContact CB-CD1 3.91Å; F78-I141 HydrophobicContact CB-CG1 3.85Å; F78-I141 HydrophobicContact CB-CG2 3.74Å; F78-I141 HydrophobicContact CG-CG1 4.47Å; F78-I151 HydrophobicContact CD2-CD1 3.82Å; F78-I151 HydrophobicContact CE2-CD1 3.99Å; F78-F247 HydrophobicContact CB-CE2 4.29Å; F78-F247 HydrophobicContact CD1-CD2 4.45Å; F78-F247 HydrophobicContact CD1-CE2 4.37Å; F78-F247 AromaticContact CD2-CD2 3.87Å; F78-F247 HydrophobicContact CD2-CD2 3.87Å; F78-F247 HydrophobicContact CD2-CE1 4.33Å; F78-F247 AromaticContact CD2-CE2 3.18Å; F78-F247 HydrophobicContact CD2-CE2 3.18Å; F78-F247 AromaticContact CD2-CZ 3.47Å; F78-F247 HydrophobicContact CD2-CZ 3.47Å; F78-F247 VanDerWaalsContact CD2-CZ 3.47Å; F78-F247 HydrophobicContact CE1-CD2 4.31Å; F78-F247 HydrophobicContact CE2-CD1 4.25Å; F78-F247 AromaticContact CE2-CD2 3.73Å; F78-F247 HydrophobicContact CE2-CD2 3.73Å; F78-F247 AromaticContact CE2-CE1 3.97Å; F78-F247 HydrophobicContact CE2-CE1 3.97Å; F78-F247 AromaticContact CE2-CE2 3.41Å; F78-F247 HydrophobicContact CE2-CE2 3.41Å; F78-F247 VanDerWaalsContact CE2-CE2 3.41Å; F78-F247 HydrophobicContact CE2-CG 4.15Å; F78-F247 AromaticContact CE2-CZ 3.55Å; F78-F247 HydrophobicContact CE2-CZ 3.55Å; F78-F247 HydrophobicContact CG-CD2 4.21Å; F78-F247 AromaticContact CG-CE2 3.7Å; F78-F247 HydrophobicContact CG-CE2 3.7Å; F78-F247 HydrophobicContact CG-CZ 4.4Å; F78-F247 AromaticContact CZ-CD2 3.93Å; F78-F247 HydrophobicContact CZ-CD2 3.93Å; F78-F247 HydrophobicContact CZ-CE2 4.08Å; F78-F247 HydrophobicContact CZ-CG 4.25Å; F78-I250 HydrophobicContact CE1-CB 4.19Å; F78-I250 HydrophobicContact CE1-CG2 3.72Å; F78-I250 HydrophobicContact CZ-CB 3.79Å; F78-I250 HydrophobicContact CZ-CG2 3.46Å; F78-I250 VanDerWaalsContact CZ-CG2 3.46Å; F78-C251 VanDerWaalsContact CE2-SG 3.56Å
79	H	97.1	Very high	90.8	Very high	31 Å²	31	44 Å²	44	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.2	170	-169.4	76.6	0	0	0	110.5	H58 F77 F81 Q85 L87	H58-H79 PolarHBondContact N-O 3.47Å; H58-H79 PolarHBondContact O-N 2.89Å; F77-H79 HydrophobicContact CD2-CB 4.24Å; F77-H79 HydrophobicContact CE2-CB 3.95Å; H79-F81 HydrophobicContact CB-CD2 4.4Å; H79-F81 HydrophobicContact CB-CE2 4.04Å; H79-F81 AromaticContact CD2-CD1 3.92Å; H79-F81 AromaticContact CD2-CD2 3.46Å; H79-F81 VanDerWaalsContact CD2-CD2 3.46Å; H79-F81 WeakPolarHBondContact CD2-CD2 3.41Å; H79-F81 AromaticContact CD2-CE1 3.94Å; H79-F81 AromaticContact CD2-CE2 3.48Å; H79-F81 VanDerWaalsContact CD2-CE2 3.48Å; H79-F81 WeakPolarHBondContact CD2-CE2 3.31Å; H79-F81 AromaticContact CD2-CG 3.69Å; H79-F81 AromaticContact CD2-CZ 3.72Å; H79-Q85 PolarHBondContact NE2-NE2 2.79Å; H79-Q85 PolarHBondContact NE2-OE1 3.01Å; H79-Q85 VanDerWaalsContact NE2-OE1 3.08Å; H79-L87 HydrophobicContact CB-CD2 4.21Å
80	Y	97.6	Very high	92.2	Very high	85 Å²	85	45.5 Å²	45.5	33%	0.333	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	99.8	172.9	-161.2	-81	0	0	0	109.8	G56 C57 Q82 D137 I141	G56-Y80 CarbonylContact O-C 3.53Å; G56-Y80 WeakPolarHBondContact O-CA 3.25Å; C57-Y80 HydrophobicContact CB-CD2 4.13Å; C57-Y80 HydrophobicContact CB-CE2 4.48Å; Y80-Q82 PolarHBondContact O-N 3.19Å; Y80-D137 HydrophobicContact CE2-CB 4.25Å; Y80-I141 HydrophobicContact CD2-CD1 4.49Å
81	F	97.5	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.9	-178.3	-82	-87.2	0	0	0	111.8	F23 I53 P55 G56 H58 I60 H79 Q85 L87	F23-F81 HydrophobicContact CB-CZ 4.31Å; I53-F81 HydrophobicContact CD1-CE1 3.98Å; I53-F81 HydrophobicContact CD1-CE2 4.18Å; I53-F81 HydrophobicContact CD1-CZ 3.73Å; I53-F81 HydrophobicContact CG2-CD1 4.38Å; I53-F81 HydrophobicContact CG2-CD2 3.77Å; I53-F81 HydrophobicContact CG2-CE2 4.05Å; I53-F81 HydrophobicContact CG2-CG 3.95Å; I53-F81 HydrophobicContact CG2-CZ 4.47Å; P55-F81 CarbonylContact C-O 3.52Å; P55-F81 VanDerWaalsContact CA-O 3.26Å; P55-F81 WeakPolarHBondContact CA-O 3.24Å; G56-F81 PolarHBondContact N-O 3.48Å; G56-F81 PolarHBondContact O-N 3.09Å; H58-F81 HydrophobicContact CB-CD2 4.1Å; H58-F81 HydrophobicContact CB-CE2 4.2Å; H58-F81 AromaticContact CD2-CD2 3.66Å; I60-F81 HydrophobicContact CD1-CE2 4.04Å; I60-F81 HydrophobicContact CD1-CZ 4.16Å; H79-F81 HydrophobicContact CB-CD2 4.4Å; H79-F81 HydrophobicContact CB-CE2 4.04Å; H79-F81 AromaticContact CD2-CD1 3.92Å; H79-F81 AromaticContact CD2-CD2 3.46Å; H79-F81 VanDerWaalsContact CD2-CD2 3.46Å; H79-F81 WeakPolarHBondContact CD2-CD2 3.41Å; H79-F81 AromaticContact CD2-CE1 3.94Å; H79-F81 AromaticContact CD2-CE2 3.48Å; H79-F81 VanDerWaalsContact CD2-CE2 3.48Å; H79-F81 WeakPolarHBondContact CD2-CE2 3.31Å; H79-F81 AromaticContact CD2-CG 3.69Å; H79-F81 AromaticContact CD2-CZ 3.72Å; F81-Q85 HydrophobicContact CD1-CB 4.36Å; F81-L87 HydrophobicContact CE1-CB 3.96Å; F81-L87 HydrophobicContact CZ-CB 4.14Å; F81-L87 HydrophobicContact CZ-CD2 3.97Å
82	Q	96.8	Very high	93.4	Very high	106 Å²	106	41.9 Å²	41.9	50%	0.495	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-86.3	156.9	164.6	-59.8	-59.2	-31.8	0	0	110.5	Y80 K84 Q85	Y80-Q82 PolarHBondContact O-N 3.19Å; Q82-K84 PolarHBondContact O-N 3.38Å; Q82-Q85 HydrophobicContact CB-CB 4.25Å; Q82-Q85 WeakPolarHBondContact O-CB 3.29Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å
83	P	95.5	Very high	93	Very high	77 Å²	77	43.1 Å²	43.1	50%	0.5	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	133.7	174	-24.4	33.7	0	0	0	111.6	P55 Q85	P55-P83 HydrophobicContact CB-CG 4.22Å; P55-P83 HydrophobicContact CG-CB 4.3Å; P55-P83 HydrophobicContact CG-CG 3.89Å; P83-Q85 PolarHBondContact O-N 3.39Å; P83-Q85 VanDerWaalsContact O-N 3.14Å
84	K	95	Very high	92.3	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	13	-179.6	-46.9	-173.8	-177.1	-167.4	0	115.6	E18 N19 G20 Q82	E18-K84 VanDerWaalsContact O-CD 3.3Å; E18-K84 WeakPolarHBondContact O-CD 3.31Å; E18-K84 WeakPolarHBondContact O-CE 3.42Å; E18-K84 WeakPolarHBondContact O-CG 3.42Å; N19-K84 PolarHBondContact O-N 2.82Å; N19-K84 WeakPolarHBondContact OD1-CE 3.47Å; N19-K84 PolarHBondContact OD1-NZ 2.89Å; G20-K84 WeakPolarHBondContact O-CA 3.38Å; Q82-K84 PolarHBondContact O-N 3.38Å
85	Q	95.6	Very high	91.9	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	21%	0.211	C	C	.	.			trans	-67.1	137.8	179.9	-173.6	176.8	17.3	0	0	110.8	G21 F22 H79 F81 Q82 P83	G21-Q85 CarbonylContact C-O 3.41Å; G21-Q85 WeakPolarHBondContact CA-O 3.25Å; F22-Q85 PolarHBondContact N-O 2.91Å; H79-Q85 PolarHBondContact NE2-NE2 2.79Å; H79-Q85 PolarHBondContact NE2-OE1 3.01Å; H79-Q85 VanDerWaalsContact NE2-OE1 3.08Å; F81-Q85 HydrophobicContact CD1-CB 4.36Å; Q82-Q85 HydrophobicContact CB-CB 4.25Å; Q82-Q85 WeakPolarHBondContact O-CB 3.29Å; Q82-Q85 PolarHBondContact O-N 2.99Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; P83-Q85 PolarHBondContact O-N 3.39Å; P83-Q85 VanDerWaalsContact O-N 3.14Å
86	L	95.9	Very high	91.5	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.9	168	171.7	63.1	0	0	0	107.9	F22 F24 V104 I107 R108 L111	F22-L86 HydrophobicContact CB-CD1 3.63Å; F24-L86 HydrophobicContact CD2-CD1 3.47Å; F24-L86 VanDerWaalsContact CD2-CD1 3.47Å; F24-L86 HydrophobicContact CE2-CD1 3.92Å; F24-L86 HydrophobicContact CG-CD1 4.41Å; L86-V104 HydrophobicContact CD2-CG1 4.11Å; L86-I107 HydrophobicContact CD1-CG2 4.33Å; L86-I107 HydrophobicContact CD2-CB 4.23Å; L86-I107 HydrophobicContact CD2-CG2 3.85Å; L86-R108 HydrophobicContact CD2-CB 3.86Å; L86-L111 HydrophobicContact CD1-CD2 4.46Å
87	L	95.5	Very high	91.2	Very high	9 Å²	9	48 Å²	48	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.4	170.7	-176.9	62.4	0	0	0	108.5	F22 F23 F24 F77 H79 F81 M89 D97	F22-L87 PolarHBondContact O-N 3.18Å; F23-L87 CarbonylContact C-O 3.52Å; F23-L87 WeakPolarHBondContact CA-O 3.12Å; F23-L87 HydrophobicContact CD2-CB 4.27Å; F23-L87 HydrophobicContact CD2-CD2 3.89Å; F23-L87 HydrophobicContact CD2-CG 4.07Å; F23-L87 HydrophobicContact CE2-CD2 4.22Å; F23-L87 HydrophobicContact CE2-CG 4.46Å; F24-L87 PolarHBondContact N-O 2.87Å; F77-L87 HydrophobicContact CE2-CD2 3.88Å; F77-L87 HydrophobicContact CZ-CD2 4.17Å; H79-L87 HydrophobicContact CB-CD2 4.21Å; F81-L87 HydrophobicContact CE1-CB 3.96Å; F81-L87 HydrophobicContact CZ-CB 4.14Å; F81-L87 HydrophobicContact CZ-CD2 3.97Å; L87-M89 HydrophobicContact CD1-CE 3.9Å; L87-M89 HydrophobicContact CD2-CE 3.78Å; L87-M89 HydrophobicContact CG-CE 3.76Å; L87-D97 WeakPolarHBondContact CD1-OD1 3.43Å
88	L	95.4	Very high	90.8	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.9	-178.2	174.9	62.7	0	0	0	109.6	F24 P26 E98 K103 V104 I107	F24-L88 HydrophobicContact CB-CD1 3.47Å; F24-L88 VanDerWaalsContact CB-CD1 3.47Å; F24-L88 HydrophobicContact CG-CD1 4.48Å; P26-L88 HydrophobicContact CG-CD1 4.37Å; L88-E98 HydrophobicContact CB-CB 4.1Å; L88-E98 HydrophobicContact CD2-CB 3.79Å; L88-E98 HydrophobicContact CD2-CG 3.83Å; L88-E98 HydrophobicContact CG-CB 3.71Å; L88-E98 HydrophobicContact CG-CG 4.29Å; L88-E98 WeakPolarHBondContact O-CB 3.21Å; L88-E98 PolarHBondContact O-N 3.47Å; L88-K103 HydrophobicContact CD2-CG 4.49Å; L88-V104 HydrophobicContact CB-CG2 4.45Å; L88-V104 HydrophobicContact CD2-CG2 4.02Å; L88-I107 HydrophobicContact CD2-CG1 4.11Å
89	M	94.1	Very high	90.5	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-89.7	131.4	175.7	-66.6	-69.9	143	0	0	110.7	F23 F24 I25 F77 L87 L95 D97	F23-M89 HydrophobicContact CE2-CE 4.02Å; F23-M89 HydrophobicContact CE2-CG 3.43Å; F23-M89 VanDerWaalsContact CE2-CG 3.43Å; F23-M89 HydrophobicContact CE2-SD 4.45Å; F23-M89 HydrophobicContact CZ-CG 3.67Å; F24-M89 PolarHBondContact O-N 2.88Å; I25-M89 HydrophobicContact CB-CB 4.27Å; I25-M89 HydrophobicContact CD1-CB 4.46Å; I25-M89 HydrophobicContact CG1-CB 4.04Å; F77-M89 HydrophobicContact CE1-CE 4.07Å; F77-M89 HydrophobicContact CE1-SD 4.44Å; F77-M89 HydrophobicContact CE2-CE 3.9Å; F77-M89 HydrophobicContact CZ-CE 3.47Å; F77-M89 VanDerWaalsContact CZ-CE 3.47Å; F77-M89 HydrophobicContact CZ-SD 4.37Å; L87-M89 HydrophobicContact CD1-CE 3.9Å; L87-M89 HydrophobicContact CD2-CE 3.78Å; L87-M89 HydrophobicContact CG-CE 3.76Å; M89-L95 HydrophobicContact SD-CB 4.26Å; M89-L95 VanDerWaalsContact SD-O 3.34Å; M89-D97 WeakPolarHBondContact CE-OD1 3.48Å
90	R	88.5	Confident	90.2	Very high	106 Å²	106	54.9 Å²	54.9	40%	0.4	28%	0.28	S	S	.	.	S	Bend	trans	-74	-44.8	173.4	-173.6	-176.7	-51.2	168.6	23.7	111.6	V96 D97 E98 T99	R90-V96 WeakPolarHBondContact CB-O 3.36Å; R90-V96 PolarHBondContact N-O 3.19Å; R90-D97 PolarHBondContact NH2-O 2.94Å; R90-D97 VanDerWaalsContact NH2-O 3.08Å; R90-E98 IonicContact CZ-OE1 3.69Å; R90-E98 IonicContact NE-OE1 3.12Å; R90-E98 PolarHBondContact NE-OE1 2.94Å; R90-E98 IonicContact NH2-OE1 3.89Å; R90-T99 PolarHBondContact NH2-OG1 2.53Å
91	T	84.8	Confident	90	Very high	37 Å²	37	56.8 Å²	56.8	23%	0.227	29%	0.292	C	S	.	.			trans	-132.8	149	-179.9	-178.4	0	0	0	0	110.9	T93 D94 L95 V96	T91-T93 PolarHBondContact OG1-N 2.81Å; T91-T93 PolarHBondContact OG1-OG1 3.07Å; T91-D94 HydrophobicContact CG2-CB 3.96Å; T91-L95 WeakPolarHBondContact O-CA 3.28Å; T91-L95 PolarHBondContact O-N 2.94Å; T91-V96 HydrophobicContact CG2-CB 4.06Å; T91-V96 HydrophobicContact CG2-CG2 4.16Å
92	F	80.6	Confident	89.8	Confident	49 Å²	49	63.9 Å²	63.9	22%	0.215	33%	0.325	C	S	.	.	S	Bend	trans	-91	-15	173.1	65	-91.3	0	0	0	113.3	I25 N27 L28 P29 F32	I25-F92 HydrophobicContact CD1-CB 3.58Å; I25-F92 HydrophobicContact CG1-CB 4.02Å; N27-F92 HydrophobicContact CB-CD1 4.35Å; N27-F92 WeakPolarHBondContact O-CD1 3.32Å; N27-F92 WeakPolarHBondContact O-CE1 3.43Å; L28-F92 HydrophobicContact CD1-CB 3.75Å; L28-F92 HydrophobicContact CD1-CD2 4.17Å; L28-F92 HydrophobicContact CD1-CG 4.02Å; P29-F92 HydrophobicContact CG-CE1 4.1Å; P29-F92 HydrophobicContact CG-CE2 3.96Å; P29-F92 HydrophobicContact CG-CZ 3.62Å; F32-F92 HydrophobicContact CE1-CD2 4.07Å; F32-F92 HydrophobicContact CE1-CE2 4.03Å; F32-F92 HydrophobicContact CZ-CE2 4.05Å
93	T	77.2	Confident	89.6	Confident	67 Å²	67	62.6 Å²	62.6	41%	0.411	32%	0.318	S	S	.	.	S	Bend	trans	-72.1	-41.7	179.8	51.8	0	0	0	0	111.7	T91	T91-T93 PolarHBondContact OG1-N 2.81Å; T91-T93 PolarHBondContact OG1-OG1 3.07Å
94	D	75.2	Confident	89.5	Confident	79 Å²	79	59.6 Å²	59.6	42%	0.422	30%	0.298	S	S	.	.	S	Bend	trans	-117.1	-0.8	-173.7	-53.9	-64.3	0	0	0	112.4	T91 V96 R150	T91-D94 HydrophobicContact CG2-CB 3.96Å; D94-V96 HydrophobicContact CB-CG2 3.68Å; D94-V96 PolarHBondContact O-N 3.1Å; D94-R150 IonicContact OD1-NH1 3.73Å
95	L	85.2	Confident	89.5	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.052	29%	0.29	C	S	.	.			trans	49	46.4	179.8	-58.5	173.6	0	0	0	112.3	I25 V62 I75 F77 M89 T91	I25-L95 HydrophobicContact CD1-CD2 4.01Å; V62-L95 HydrophobicContact CG2-CD1 4.27Å; V62-L95 HydrophobicContact CG2-CD2 4.08Å; V62-L95 HydrophobicContact CG2-CG 4.49Å; I75-L95 HydrophobicContact CG2-CD1 4.02Å; F77-L95 HydrophobicContact CD1-CB 3.91Å; F77-L95 HydrophobicContact CD1-CD1 3.65Å; F77-L95 HydrophobicContact CD1-CG 4.29Å; F77-L95 HydrophobicContact CE1-CB 4.01Å; F77-L95 HydrophobicContact CE1-CD1 3.96Å; F77-L95 HydrophobicContact CE1-CD2 4.33Å; F77-L95 HydrophobicContact CE1-CG 4.32Å; M89-L95 HydrophobicContact SD-CB 4.26Å; M89-L95 VanDerWaalsContact SD-O 3.34Å; T91-L95 WeakPolarHBondContact O-CA 3.28Å; T91-L95 PolarHBondContact O-N 2.94Å
96	V	85.6	Confident	89.4	Confident	66 Å²	66	63.5 Å²	63.5	40%	0.4	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-89.8	130.8	-177.3	177.5	0	0	0	0	110	R90 T91 D94	R90-V96 WeakPolarHBondContact CB-O 3.36Å; R90-V96 PolarHBondContact N-O 3.19Å; T91-V96 HydrophobicContact CG2-CB 4.06Å; T91-V96 HydrophobicContact CG2-CG2 4.16Å; D94-V96 HydrophobicContact CB-CG2 3.68Å; D94-V96 PolarHBondContact O-N 3.1Å
97	D	88	Confident	89.3	Confident	74 Å²	74	64.4 Å²	64.4	40%	0.396	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-56.7	143	174.7	-70.5	-11.2	0	0	0	112.8	L87 M89 R90 T99	L87-D97 WeakPolarHBondContact CD1-OD1 3.43Å; M89-D97 WeakPolarHBondContact CE-OD1 3.48Å; R90-D97 PolarHBondContact NH2-O 2.94Å; R90-D97 VanDerWaalsContact NH2-O 3.08Å; D97-T99 PolarHBondContact O-N 3.4Å
98	E	89.2	Confident	89.2	Confident	21 Å²	21	69 Å²	69	10%	0.098	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-73.7	120.2	168.4	-172.6	60.4	-84.5	0	0	110.1	L88 R90 D100 K103 V104	L88-E98 HydrophobicContact CB-CB 4.1Å; L88-E98 HydrophobicContact CD2-CB 3.79Å; L88-E98 HydrophobicContact CD2-CG 3.83Å; L88-E98 HydrophobicContact CG-CB 3.71Å; L88-E98 HydrophobicContact CG-CG 4.29Å; L88-E98 WeakPolarHBondContact O-CB 3.21Å; L88-E98 PolarHBondContact O-N 3.47Å; R90-E98 IonicContact CZ-OE1 3.69Å; R90-E98 IonicContact NE-OE1 3.12Å; R90-E98 PolarHBondContact NE-OE1 2.94Å; R90-E98 IonicContact NH2-OE1 3.89Å; E98-D100 HydrophobicContact CG-CB 4.35Å; E98-K103 HydrophobicContact CG-CD 4.16Å; E98-K103 WeakPolarHBondContact OE2-CD 3Å; E98-K103 WeakPolarHBondContact OE2-CE 3.29Å; E98-K103 IonicContact OE2-NZ 3.6Å; E98-K103 PolarHBondContact OE2-NZ 2.73Å; E98-V104 HydrophobicContact CB-CG2 4.22Å; E98-V104 HydrophobicContact CG-CG2 4.12Å
99	T	89.7	Confident	89.2	Confident	100 Å²	100	75.8 Å²	75.8	61%	0.613	37%	0.368	S	S	*	.			trans	-96.2	-15.9	-178	57.5	0	0	0	0	112.1	R90 D97 Q101	R90-T99 PolarHBondContact NH2-OG1 2.53Å; D97-T99 PolarHBondContact O-N 3.4Å; T99-Q101 PolarHBondContact O-N 2.83Å; T99-Q101 VanDerWaalsContact O-N 3.14Å
100	D	92.3	Very high	89.2	Confident	74 Å²	74	78.6 Å²	78.6	40%	0.396	38%	0.382	S	S	.	.			trans	-71.9	102.3	175.4	-178.8	-7.6	0	0	0	110.8	E98 E102 K103 V104	E98-D100 HydrophobicContact CG-CB 4.35Å; D100-E102 VanDerWaalsContact C-N 3.31Å; D100-E102 PolarHBondContact O-N 3.45Å; D100-E102 WeakPolarHBondContact OD1-CB 3.47Å; D100-E102 PolarHBondContact OD1-N 3.06Å; D100-K103 HydrophobicContact CB-CB 4.07Å; D100-K103 PolarHBondContact O-N 2.91Å; D100-K103 PolarHBondContact OD1-N 2.78Å; D100-V104 WeakPolarHBondContact O-CG2 3.17Å; D100-V104 PolarHBondContact O-N 2.99Å; D100-V104 VanDerWaalsContact O-N 3.08Å
101	Q	93.1	Very high	89.4	Confident	125 Å²	125	74.6 Å²	74.6	58%	0.584	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-33.5	-178.7	-64.1	-60.2	-44.5	0	0	112.8	T99 K103 V104 E105	T99-Q101 PolarHBondContact O-N 2.83Å; T99-Q101 VanDerWaalsContact O-N 3.14Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 2.6Å; Q101-V104 PolarHBondContact O-N 3.36Å; Q101-E105 WeakPolarHBondContact O-CB 3.37Å; Q101-E105 WeakPolarHBondContact O-CG 3.33Å; Q101-E105 PolarHBondContact O-N 2.89Å
102	E	93.7	Very high	89.7	Confident	148 Å²	148	81.1 Å²	81.1	69%	0.692	39%	0.394	S	S	*	.	H	α-helix	trans	-66.4	-39.2	178.8	-66.8	-172.5	177.9	0	0	110.9	D100 R106	D100-E102 VanDerWaalsContact C-N 3.31Å; D100-E102 PolarHBondContact O-N 3.45Å; D100-E102 WeakPolarHBondContact OD1-CB 3.47Å; D100-E102 PolarHBondContact OD1-N 3.06Å; E102-R106 WeakPolarHBondContact O-CB 3.27Å; E102-R106 PolarHBondContact O-N 3.28Å
103	K	92.1	Very high	90.4	Very high	79 Å²	79	84 Å²	84	34%	0.343	41%	0.412	S	S	.	.	H	α-helix	trans	-68.2	-42	176.3	-172.8	176.6	172.1	-166.7	0	111.7	L88 E98 D100 Q101 R106 I107	L88-K103 HydrophobicContact CD2-CG 4.49Å; E98-K103 HydrophobicContact CG-CD 4.16Å; E98-K103 WeakPolarHBondContact OE2-CD 3Å; E98-K103 WeakPolarHBondContact OE2-CE 3.29Å; E98-K103 IonicContact OE2-NZ 3.6Å; E98-K103 PolarHBondContact OE2-NZ 2.73Å; D100-K103 HydrophobicContact CB-CB 4.07Å; D100-K103 PolarHBondContact O-N 2.91Å; D100-K103 PolarHBondContact OD1-N 2.78Å; Q101-K103 VanDerWaalsContact C-N 3.31Å; Q101-K103 PolarHBondContact O-N 2.6Å; K103-R106 PolarHBondContact O-N 3.36Å; K103-I107 WeakPolarHBondContact O-CG1 3.25Å; K103-I107 PolarHBondContact O-N 2.84Å; K103-I107 VanDerWaalsContact O-N 3.09Å
104	V	93.2	Very high	91.2	Very high	15 Å²	15	81.6 Å²	81.6	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-47.6	175.5	174	0	0	0	0	110.6	L86 L88 E98 D100 Q101 R106 I107 R108	L86-V104 HydrophobicContact CD2-CG1 4.11Å; L88-V104 HydrophobicContact CB-CG2 4.45Å; L88-V104 HydrophobicContact CD2-CG2 4.02Å; E98-V104 HydrophobicContact CB-CG2 4.22Å; E98-V104 HydrophobicContact CG-CG2 4.12Å; D100-V104 WeakPolarHBondContact O-CG2 3.17Å; D100-V104 PolarHBondContact O-N 2.99Å; D100-V104 VanDerWaalsContact O-N 3.08Å; Q101-V104 PolarHBondContact O-N 3.36Å; V104-R106 PolarHBondContact O-N 2.74Å; V104-I107 PolarHBondContact O-N 2.85Å; V104-R108 WeakPolarHBondContact O-CB 3.35Å; V104-R108 PolarHBondContact O-N 2.92Å
105	E	94.6	Very high	92.1	Very high	73 Å²	73	80.3 Å²	80.3	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-36.7	178.9	-74.1	-56.6	134.5	0	0	112.4	Q101 I107 R108 L109	Q101-E105 WeakPolarHBondContact O-CB 3.37Å; Q101-E105 WeakPolarHBondContact O-CG 3.33Å; Q101-E105 PolarHBondContact O-N 2.89Å; E105-I107 PolarHBondContact O-N 3.22Å; E105-R108 WeakPolarHBondContact O-CB 3.24Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 3.8Å; E105-R108 IonicContact OE1-NH1 2.74Å; E105-R108 PolarHBondContact OE1-NH1 3.26Å; E105-R108 IonicContact OE2-NH1 3.84Å; E105-L109 WeakPolarHBondContact O-CG 3.4Å; E105-L109 PolarHBondContact O-N 3.09Å
106	R	94.5	Very high	92.5	Very high	177 Å²	177	86.4 Å²	86.4	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-59.9	-45.7	173.3	-170.1	-173.8	-53.9	-175.1	4.1	111.9	E102 K103 V104 R108 L109 D110	E102-R106 WeakPolarHBondContact O-CB 3.27Å; E102-R106 PolarHBondContact O-N 3.28Å; K103-R106 PolarHBondContact O-N 3.36Å; V104-R106 PolarHBondContact O-N 2.74Å; R106-R108 VanDerWaalsContact C-N 3.34Å; R106-L109 PolarHBondContact O-N 3.16Å; R106-D110 WeakPolarHBondContact O-CB 3.44Å; R106-D110 PolarHBondContact O-N 3.4Å
107	I	93.6	Very high	92.9	Very high	35 Å²	35	86.4 Å²	86.4	18%	0.179	41%	0.411	C	S	.	.	H	α-helix	trans	-63.1	-43	175.9	-66.1	-84.1	0	0	0	110.2	F24 L86 L88 K103 V104 E105 L109 D110 L111 L114	F24-I107 HydrophobicContact CD1-CG2 4.32Å; F24-I107 HydrophobicContact CD2-CG2 4.24Å; F24-I107 HydrophobicContact CE1-CG2 4.21Å; F24-I107 HydrophobicContact CE2-CG2 4.13Å; F24-I107 HydrophobicContact CG-CG2 4.3Å; F24-I107 HydrophobicContact CZ-CG2 4.07Å; L86-I107 HydrophobicContact CD1-CG2 4.33Å; L86-I107 HydrophobicContact CD2-CB 4.23Å; L86-I107 HydrophobicContact CD2-CG2 3.85Å; L88-I107 HydrophobicContact CD2-CG1 4.11Å; K103-I107 WeakPolarHBondContact O-CG1 3.25Å; K103-I107 PolarHBondContact O-N 2.84Å; K103-I107 VanDerWaalsContact O-N 3.09Å; V104-I107 PolarHBondContact O-N 2.85Å; E105-I107 PolarHBondContact O-N 3.22Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.16Å; I107-D110 CarbonylContact O-C 3.56Å; I107-D110 PolarHBondContact O-N 2.93Å; I107-D110 VanDerWaalsContact O-N 3.1Å; I107-L111 HydrophobicContact CG2-CD2 4.48Å; I107-L111 PolarHBondContact O-N 2.82Å; I107-L111 VanDerWaalsContact O-N 3.13Å; I107-L114 HydrophobicContact CD1-CD1 4.02Å; I107-L114 HydrophobicContact CG2-CD1 4.08Å
108	R	93.6	Very high	93.3	Very high	105 Å²	105	83.4 Å²	83.4	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-58.4	-42.2	178.7	180	175.4	-88	169.8	-9.4	112.3	L86 V104 E105 R106 D110 L111	L86-R108 HydrophobicContact CD2-CB 3.86Å; V104-R108 WeakPolarHBondContact O-CB 3.35Å; V104-R108 PolarHBondContact O-N 2.92Å; E105-R108 WeakPolarHBondContact O-CB 3.24Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE1-CZ 3.8Å; E105-R108 IonicContact OE1-NH1 2.74Å; E105-R108 PolarHBondContact OE1-NH1 3.26Å; E105-R108 IonicContact OE2-NH1 3.84Å; R106-R108 VanDerWaalsContact C-N 3.34Å; R108-D110 VanDerWaalsContact C-N 3.31Å; R108-L111 WeakPolarHBondContact O-CD1 3.42Å; R108-L111 VanDerWaalsContact O-CG 3.28Å; R108-L111 WeakPolarHBondContact O-CG 3.42Å
109	L	94.2	Very high	93.5	Very high	150 Å²	150	83.8 Å²	83.8	79%	0.785	41%	0.405	S	S	*	.	H	α-helix	trans	-70.6	-27.8	177	-67.7	171	0	0	0	112.7	E105 R106 I107	E105-L109 WeakPolarHBondContact O-CG 3.4Å; E105-L109 PolarHBondContact O-N 3.09Å; R106-L109 PolarHBondContact O-N 3.16Å; I107-L109 VanDerWaalsContact C-N 3.33Å; I107-L109 PolarHBondContact O-N 3.16Å
110	D	94.7	Very high	93.8	Very high	60 Å²	60	80.5 Å²	80.5	32%	0.321	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5.9	-176.6	-160.2	39.5	0	0	0	114.2	R106 I107 R108 K112 N113 L114	R106-D110 WeakPolarHBondContact O-CB 3.44Å; R106-D110 PolarHBondContact O-N 3.4Å; I107-D110 CarbonylContact O-C 3.56Å; I107-D110 PolarHBondContact O-N 2.93Å; I107-D110 VanDerWaalsContact O-N 3.1Å; R108-D110 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 3.25Å; D110-N113 PolarHBondContact O-N 3.36Å; D110-N113 WeakPolarHBondContact OD1-CB 3.25Å; D110-N113 PolarHBondContact OD1-ND2 3.07Å; D110-L114 HydrophobicContact CB-CD1 4.11Å; D110-L114 HydrophobicContact CB-CG 4.42Å; D110-L114 WeakPolarHBondContact O-CG 3.36Å; D110-L114 PolarHBondContact O-N 2.84Å
111	L	93.3	Very high	93.9	Very high	22 Å²	22	77.2 Å²	77.2	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-52	-37.5	-174.7	-75.2	174.7	0	0	0	113.8	F17 F22 F24 L86 I107 R108 L114 D115	F17-L111 HydrophobicContact CZ-CB 4.27Å; F22-L111 HydrophobicContact CD1-CD1 4.5Å; F22-L111 HydrophobicContact CD1-CD2 3.88Å; F22-L111 HydrophobicContact CD2-CD1 4.13Å; F22-L111 HydrophobicContact CE1-CD1 4.38Å; F22-L111 HydrophobicContact CE1-CD2 4.21Å; F22-L111 HydrophobicContact CE2-CD1 4.02Å; F22-L111 HydrophobicContact CG-CD1 4.36Å; F22-L111 HydrophobicContact CG-CD2 4.14Å; F22-L111 HydrophobicContact CZ-CD1 4.14Å; F24-L111 HydrophobicContact CE2-CD2 3.42Å; F24-L111 VanDerWaalsContact CE2-CD2 3.42Å; F24-L111 HydrophobicContact CZ-CD2 3.75Å; L86-L111 HydrophobicContact CD1-CD2 4.46Å; I107-L111 HydrophobicContact CG2-CD2 4.48Å; I107-L111 PolarHBondContact O-N 2.82Å; I107-L111 VanDerWaalsContact O-N 3.13Å; R108-L111 WeakPolarHBondContact O-CD1 3.42Å; R108-L111 VanDerWaalsContact O-CG 3.28Å; R108-L111 WeakPolarHBondContact O-CG 3.42Å; L111-L114 PolarHBondContact O-N 3.01Å; L111-D115 PolarHBondContact O-N 3.41Å
112	K	90.9	Very high	93.9	Very high	174 Å²	174	71.8 Å²	71.8	76%	0.757	35%	0.345	S	S	*	.	H	α-helix	trans	-65	-39.6	179.4	-69.9	-173.3	178.7	-177.3	0	112.8	F17 D110 L114 D115	F17-K112 HydrophobicContact CE1-CG 4.47Å; D110-K112 PolarHBondContact O-N 3.25Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-D115 VanDerWaalsContact O-CB 3.29Å; K112-D115 WeakPolarHBondContact O-CB 3.48Å
113	N	94.2	Very high	93.9	Very high	111 Å²	111	67.2 Å²	67.2	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-76.8	-28.5	177.8	-63	-41.5	0	0	0	111.5	D110 D115 Q116	D110-N113 PolarHBondContact O-N 3.36Å; D110-N113 WeakPolarHBondContact OD1-CB 3.25Å; D110-N113 PolarHBondContact OD1-ND2 3.07Å; N113-D115 VanDerWaalsContact C-N 3.28Å; N113-Q116 PolarHBondContact O-NE2 2.67Å
114	L	94	Very high	93.8	Very high	15 Å²	15	68.6 Å²	68.6	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-78.6	-11.5	177.5	-65.5	171.7	0	0	0	113.4	F24 I107 D110 L111 K112 Q116 Y117	F24-L114 HydrophobicContact CE1-CB 4.06Å; F24-L114 HydrophobicContact CE1-CD1 3.78Å; F24-L114 HydrophobicContact CE1-CG 4.4Å; F24-L114 HydrophobicContact CZ-CB 3.92Å; F24-L114 HydrophobicContact CZ-CD1 3.89Å; I107-L114 HydrophobicContact CD1-CD1 4.02Å; I107-L114 HydrophobicContact CG2-CD1 4.08Å; D110-L114 HydrophobicContact CB-CD1 4.11Å; D110-L114 HydrophobicContact CB-CG 4.42Å; D110-L114 WeakPolarHBondContact O-CG 3.36Å; D110-L114 PolarHBondContact O-N 2.84Å; L111-L114 PolarHBondContact O-N 3.01Å; K112-L114 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.25Å; L114-Q116 VanDerWaalsContact O-N 3.09Å; L114-Y117 HydrophobicContact CD2-CD2 4.07Å; L114-Y117 HydrophobicContact CD2-CE2 4.43Å; L114-Y117 WeakPolarHBondContact O-CB 3.12Å; L114-Y117 PolarHBondContact O-N 2.93Å
115	D	93.4	Very high	93.6	Very high	52 Å²	52	70.4 Å²	70.4	28%	0.278	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-52	-36.5	-175.1	-172.1	55.2	0	0	0	114.2	F17 K51 L111 K112 N113 Y117 L118	F17-D115 HydrophobicContact CE2-CB 4.32Å; F17-D115 WeakPolarHBondContact CE2-OD1 3.46Å; K51-D115 WeakPolarHBondContact CD-OD1 3.47Å; K51-D115 VanDerWaalsContact CE-OD1 3.31Å; K51-D115 WeakPolarHBondContact CE-OD1 3.48Å; K51-D115 PolarHBondContact NZ-O 3.43Å; K51-D115 VanDerWaalsContact NZ-O 3.14Å; K51-D115 IonicContact NZ-OD1 3.64Å; K51-D115 PolarHBondContact NZ-OD1 2.81Å; K51-D115 IonicContact NZ-OD2 3.53Å; K51-D115 PolarHBondContact NZ-OD2 2.72Å; L111-D115 PolarHBondContact O-N 3.41Å; K112-D115 VanDerWaalsContact O-CB 3.29Å; K112-D115 WeakPolarHBondContact O-CB 3.48Å; N113-D115 VanDerWaalsContact C-N 3.28Å; D115-Y117 PolarHBondContact O-N 2.77Å; D115-L118 PolarHBondContact O-N 3.44Å
116	Q	93.6	Very high	93.5	Very high	138 Å²	138	68.4 Å²	68.4	65%	0.645	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.7	-17.2	178.3	68.1	-178.2	-43.7	0	0	114.2	N113 L114	N113-Q116 PolarHBondContact O-NE2 2.67Å; L114-Q116 PolarHBondContact O-N 3.25Å; L114-Q116 VanDerWaalsContact O-N 3.09Å
117	Y	95.5	Very high	93.4	Very high	66 Å²	66	68.1 Å²	68.1	26%	0.259	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-98.7	-1.3	179	-54.6	-72.3	0	0	0	112.5	K46 K48 L114 D115	K46-Y117 HydrophobicContact CB-CD1 4.04Å; K46-Y117 HydrophobicContact CB-CE1 4.45Å; K46-Y117 HydrophobicContact CD-CE1 4.49Å; K46-Y117 HydrophobicContact CG-CE1 4.49Å; K46-Y117 WeakPolarHBondContact O-CB 3.08Å; K46-Y117 VanDerWaalsContact O-CD1 3.31Å; K46-Y117 WeakPolarHBondContact O-CD1 3.05Å; K48-Y117 HydrophobicContact CD-CD2 4.41Å; K48-Y117 HydrophobicContact CD-CG 4.03Å; K48-Y117 HydrophobicContact CG-CG 4.45Å; K48-Y117 PolarHBondContact N-O 3.18Å; L114-Y117 HydrophobicContact CD2-CD2 4.07Å; L114-Y117 HydrophobicContact CD2-CE2 4.43Å; L114-Y117 WeakPolarHBondContact O-CB 3.12Å; L114-Y117 PolarHBondContact O-N 2.93Å; D115-Y117 PolarHBondContact O-N 2.77Å
118	L	95.5	Very high	93.4	Very high	11 Å²	11	68.2 Å²	68.2	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.5	-175.7	-61.9	177.6	0	0	0	111.5	F22 F24 G49 K51 D115	F22-L118 HydrophobicContact CD1-CD1 3.99Å; F22-L118 HydrophobicContact CE1-CD1 4.32Å; F24-L118 HydrophobicContact CD1-CD2 4.11Å; F24-L118 HydrophobicContact CD2-CD2 4.18Å; F24-L118 HydrophobicContact CE1-CD1 4.42Å; F24-L118 HydrophobicContact CE1-CD2 3.72Å; F24-L118 HydrophobicContact CE1-CG 4.33Å; F24-L118 HydrophobicContact CE2-CD1 3.69Å; F24-L118 HydrophobicContact CE2-CD2 3.8Å; F24-L118 HydrophobicContact CE2-CG 4.3Å; F24-L118 HydrophobicContact CG-CD2 4.35Å; F24-L118 HydrophobicContact CZ-CD1 3.53Å; F24-L118 HydrophobicContact CZ-CD2 3.59Å; F24-L118 HydrophobicContact CZ-CG 3.91Å; G49-L118 WeakPolarHBondContact O-CA 3.32Å; K51-L118 HydrophobicContact CB-CB 4.09Å; K51-L118 HydrophobicContact CB-CD1 3.97Å; K51-L118 HydrophobicContact CD-CB 3.9Å; K51-L118 WeakPolarHBondContact CE-O 3.12Å; K51-L118 HydrophobicContact CG-CB 3.97Å; D115-L118 PolarHBondContact O-N 3.44Å
119	G	94.4	Very high	93.6	Very high	30 Å²	30	63.5 Å²	63.5	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.4	169.3	0	0	0	0	0	111.1	G49 V50 K51	G49-G119 PolarHBondContact O-N 2.8Å; V50-G119 CarbonylContact C-O 3.51Å; V50-G119 VanDerWaalsContact CA-O 3.27Å; V50-G119 WeakPolarHBondContact CA-O 3.43Å; V50-G119 WeakPolarHBondContact CG1-O 3.27Å; K51-G119 WeakPolarHBondContact CG-O 3.23Å; K51-G119 PolarHBondContact N-O 3.45Å
120	A	94.8	Very high	93.7	Very high	30 Å²	30	62.8 Å²	62.8	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137	169.5	0	0	0	0	0	110.3	M52	M52-A120 HydrophobicContact CE-CB 3.24Å
121	Y	95.8	Very high	93.8	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.02	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-56.1	133.2	171.2	-179.9	-90.1	0	0	0	110.7	I36 D37 K51 I53 P54 H58 F123	I36-Y121 HydrophobicContact CD1-CD2 4.05Å; I36-Y121 HydrophobicContact CD1-CE2 4.06Å; I36-Y121 HydrophobicContact CG1-CE2 4.23Å; D37-Y121 VanDerWaalsContact OD2-CE2 3.25Å; D37-Y121 WeakPolarHBondContact OD2-CE2 3.23Å; D37-Y121 VanDerWaalsContact OD2-CZ 3.28Å; D37-Y121 PolarHBondContact OD2-OH 3.07Å; K51-Y121 WeakPolarHBondContact O-CB 3.38Å; K51-Y121 PolarHBondContact O-N 2.79Å; I53-Y121 HydrophobicContact CG1-CD2 4.33Å; I53-Y121 HydrophobicContact CG2-CD2 4.4Å; P54-Y121 HydrophobicContact CG-CD1 4.06Å; P54-Y121 HydrophobicContact CG-CE1 3.89Å; H58-Y121 AromaticContact CE1-CE2 3.66Å; H58-Y121 AromaticContact CE1-CZ 3.77Å; H58-Y121 AromaticContact ND1-CE2 3.82Å; Y121-F123 HydrophobicContact CD1-CD1 4.11Å; Y121-F123 HydrophobicContact CD1-CD2 4.1Å; Y121-F123 HydrophobicContact CD1-CE1 4.07Å; Y121-F123 HydrophobicContact CD1-CE2 4.03Å; Y121-F123 HydrophobicContact CD1-CG 4.13Å; Y121-F123 HydrophobicContact CD1-CZ 4.02Å; Y121-F123 HydrophobicContact CE1-CD1 4.44Å; Y121-F123 WeakPolarHBondContact O-CD2 3.47Å; Y121-F123 WeakPolarHBondContact O-CE2 3.49Å; Y121-F123 PolarHBondContact O-N 3.04Å; Y121-F123 VanDerWaalsContact O-N 3.11Å
122	P	92.1	Very high	93.9	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.071	30%	0.303	C	S	.	.			trans	-78.9	93.6	-176.8	33.9	-40.3	0	0	0	111.9	N39 W41 E124	N39-P122 HydrophobicContact CB-CB 4.33Å; N39-P122 HydrophobicContact CB-CG 3.68Å; N39-P122 WeakPolarHBondContact ND2-CG 3.45Å; W41-P122 HydrophobicContact CH2-CB 4.2Å; W41-P122 HydrophobicContact CH2-CG 3.68Å; W41-P122 HydrophobicContact CZ2-CB 4.1Å; W41-P122 HydrophobicContact CZ2-CG 4.06Å; P122-E124 PolarHBondContact O-N 2.98Å; P122-E124 VanDerWaalsContact O-N 3.14Å
123	F	93.1	Very high	94.3	Very high	53 Å²	53	52.5 Å²	52.5	23%	0.232	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-68.3	-12.3	-175.6	-74.3	-86.5	0	0	0	115.5	M8 L16 M52 P54 Y121 N125 S126	M8-F123 HydrophobicContact CE-CD2 3.54Å; M8-F123 HydrophobicContact CE-CE2 3.76Å; M8-F123 HydrophobicContact CE-CG 4.3Å; L16-F123 HydrophobicContact CD1-CE1 4.25Å; L16-F123 HydrophobicContact CD1-CE2 3.86Å; L16-F123 HydrophobicContact CD1-CZ 3.67Å; L16-F123 HydrophobicContact CD2-CE1 4.18Å; L16-F123 HydrophobicContact CD2-CZ 3.88Å; L16-F123 HydrophobicContact CG-CZ 4.31Å; M52-F123 HydrophobicContact CB-CE2 4.22Å; M52-F123 HydrophobicContact CB-CZ 4.28Å; M52-F123 VanDerWaalsContact O-CZ 3.27Å; M52-F123 WeakPolarHBondContact O-CZ 3.21Å; P54-F123 HydrophobicContact CG-CE1 3.85Å; P54-F123 HydrophobicContact CG-CZ 4.42Å; Y121-F123 HydrophobicContact CD1-CD1 4.11Å; Y121-F123 HydrophobicContact CD1-CD2 4.1Å; Y121-F123 HydrophobicContact CD1-CE1 4.07Å; Y121-F123 HydrophobicContact CD1-CE2 4.03Å; Y121-F123 HydrophobicContact CD1-CG 4.13Å; Y121-F123 HydrophobicContact CD1-CZ 4.02Å; Y121-F123 HydrophobicContact CE1-CD1 4.44Å; Y121-F123 WeakPolarHBondContact O-CD2 3.47Å; Y121-F123 WeakPolarHBondContact O-CE2 3.49Å; Y121-F123 PolarHBondContact O-N 3.04Å; Y121-F123 VanDerWaalsContact O-N 3.11Å; F123-N125 VanDerWaalsContact C-N 3.27Å; F123-N125 PolarHBondContact O-N 3.34Å; F123-S126 WeakPolarHBondContact O-CB 3.41Å; F123-S126 PolarHBondContact O-N 2.93Å; F123-S126 PolarHBondContact O-OG 3.15Å
124	E	90.4	Very high	94.4	Very high	107 Å²	107	49.7 Å²	49.7	50%	0.5	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-52	-45.7	179.7	-56.7	178.2	-161	0	0	112	T4 P122	T4-E124 WeakPolarHBondContact CB-OE1 3.47Å; T4-E124 VanDerWaalsContact CG2-CD 3.49Å; T4-E124 HydrophobicContact CG2-CG 3.66Å; T4-E124 WeakPolarHBondContact CG2-OE1 3.35Å; T4-E124 PolarHBondContact N-OE1 3.33Å; T4-E124 VanDerWaalsContact N-OE1 3.07Å; T4-E124 WeakPolarHBondContact OG1-CG 3.26Å; T4-E124 PolarHBondContact OG1-OE1 3.14Å; P122-E124 PolarHBondContact O-N 2.98Å; P122-E124 VanDerWaalsContact O-N 3.14Å
125	N	89.6	Confident	94.6	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-100.7	4.8	-174.7	-65.8	-41.2	0	0	0	113	N39 F123 K127 T128 W129	N39-N125 PolarHBondContact OD1-ND2 3.3Å; F123-N125 VanDerWaalsContact C-N 3.27Å; F123-N125 PolarHBondContact O-N 3.34Å; N125-K127 PolarHBondContact O-N 3.35Å; N125-T128 WeakPolarHBondContact O-CB 3.48Å; N125-T128 PolarHBondContact O-N 2.97Å; N125-W129 WeakPolarHBondContact O-CB 3.19Å; N125-W129 PolarHBondContact O-N 3.36Å
126	S	91.7	Very high	94.9	Very high	30 Å²	30	47.9 Å²	47.9	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-46	-173.9	60.6	0	0	0	0	113.5	F123 T128 W129 F130	F123-S126 WeakPolarHBondContact O-CB 3.41Å; F123-S126 PolarHBondContact O-N 2.93Å; F123-S126 PolarHBondContact O-OG 3.15Å; S126-T128 VanDerWaalsContact C-N 3.32Å; S126-T128 PolarHBondContact O-N 2.92Å; S126-W129 PolarHBondContact O-N 3.12Å; S126-F130 WeakPolarHBondContact O-CB 3.46Å; S126-F130 PolarHBondContact O-N 3.2Å
127	K	93.7	Very high	95	Very high	171 Å²	171	43 Å²	43	74%	0.743	22%	0.219	S	C	*	.	H	α-helix	trans	-65.6	-38.4	178.6	-66.5	-177.9	-179.6	176.3	0	112	N125 S131	N125-K127 PolarHBondContact O-N 3.35Å; K127-S131 PolarHBondContact O-N 3.19Å; K127-S131 VanDerWaalsContact O-N 3.07Å; K127-S131 PolarHBondContact O-OG 3.4Å
128	T	93.8	Very high	95.1	Very high	38 Å²	38	41.3 Å²	41.3	23%	0.233	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-48.5	176.7	-61.4	0	0	0	0	110.4	Y38 N125 S126 F130 S131 L132 M298	Y38-T128 HydrophobicContact CE2-CG2 4.24Å; N125-T128 WeakPolarHBondContact O-CB 3.48Å; N125-T128 PolarHBondContact O-N 2.97Å; S126-T128 VanDerWaalsContact C-N 3.32Å; S126-T128 PolarHBondContact O-N 2.92Å; T128-F130 PolarHBondContact O-N 3.09Å; T128-S131 WeakPolarHBondContact O-CB 3.32Å; T128-S131 PolarHBondContact O-N 3Å; T128-S131 VanDerWaalsContact O-N 3.13Å; T128-L132 PolarHBondContact O-N 3.11Å; T128-M298 HydrophobicContact CG2-CE 3.41Å; T128-M298 VanDerWaalsContact CG2-CE 3.41Å; T128-M298 HydrophobicContact CG2-CG 3.69Å; T128-M298 HydrophobicContact CG2-SD 3.29Å; T128-M298 WeakPolarHBondContact CG2-SD 3.33Å
129	W	96.4	Very high	95.2	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-52	176	-179	-108.4	0	0	0	111.5	D37 Y38 C57 H58 F59 N125 S126 S131 L132 T133 I250 V254	D37-W129 HydrophobicContact CB-CD2 3.44Å; D37-W129 VanDerWaalsContact CB-CD2 3.44Å; D37-W129 HydrophobicContact CB-CE3 3.51Å; D37-W129 HydrophobicContact CB-CG 3.93Å; D37-W129 HydrophobicContact CB-CH2 4.03Å; D37-W129 HydrophobicContact CB-CZ2 4.01Å; D37-W129 HydrophobicContact CB-CZ3 3.79Å; D37-W129 VanDerWaalsContact CG-CD2 3.47Å; D37-W129 WeakPolarHBondContact OD1-CZ2 3.43Å; D37-W129 PolarHBondContact OD1-NE1 3.48Å; Y38-W129 AromaticContact CD2-CE3 3.99Å; Y38-W129 HydrophobicContact CD2-CE3 3.99Å; Y38-W129 HydrophobicContact CE2-CE3 4.2Å; Y38-W129 HydrophobicContact CG-CE3 4.47Å; C57-W129 PolarHBondContact O-NE1 3.14Å; H58-W129 AromaticContact ND1-NE1 3.78Å; F59-W129 HydrophobicContact CB-CH2 3.68Å; F59-W129 HydrophobicContact CB-CZ2 3.93Å; N125-W129 WeakPolarHBondContact O-CB 3.19Å; N125-W129 PolarHBondContact O-N 3.36Å; S126-W129 PolarHBondContact O-N 3.12Å; W129-S131 PolarHBondContact O-N 3.3Å; W129-L132 WeakPolarHBondContact O-CA 3.15Å; W129-L132 WeakPolarHBondContact O-CB 3.4Å; W129-L132 PolarHBondContact O-N 2.74Å; W129-T133 HydrophobicContact CD2-CG2 4.06Å; W129-T133 HydrophobicContact CE3-CG2 4.48Å; W129-T133 HydrophobicContact CH2-CG2 4.21Å; W129-T133 HydrophobicContact CZ2-CG2 3.71Å; W129-T133 PolarHBondContact O-N 3.21Å; W129-T133 VanDerWaalsContact O-N 3.14Å; W129-T133 PolarHBondContact O-OG1 3.13Å; W129-T133 VanDerWaalsContact O-OG1 3.09Å; W129-I250 HydrophobicContact CE3-CD1 4.41Å; W129-I250 HydrophobicContact CH2-CD1 4.04Å; W129-I250 HydrophobicContact CH2-CG1 4.31Å; W129-I250 HydrophobicContact CH2-CG2 3.58Å; W129-I250 HydrophobicContact CZ3-CD1 3.71Å; W129-I250 HydrophobicContact CZ3-CG1 4.48Å; W129-I250 HydrophobicContact CZ3-CG2 4.18Å; W129-V254 HydrophobicContact CZ3-CG2 4.32Å
130	F	96.3	Very high	95.4	Very high	135 Å²	135	42 Å²	42	59%	0.592	23%	0.227	S	C	*	.	H	α-helix	trans	-55.1	-40.7	176.7	178.8	-96.1	0	0	0	112.5	S126 T128 L132 T133 Y134	S126-F130 WeakPolarHBondContact O-CB 3.46Å; S126-F130 PolarHBondContact O-N 3.2Å; T128-F130 PolarHBondContact O-N 3.09Å; F130-L132 PolarHBondContact O-N 2.59Å; F130-L132 VanDerWaalsContact O-N 3.12Å; F130-T133 PolarHBondContact O-N 2.77Å; F130-Y134 WeakPolarHBondContact O-CB 3.15Å; F130-Y134 PolarHBondContact O-N 3.31Å
131	S	96.6	Very high	95.5	Very high	32 Å²	32	41 Å²	41	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-18.9	179.2	-57.5	0	0	0	0	113.3	K127 T128 W129 Y134 F294	K127-S131 PolarHBondContact O-N 3.19Å; K127-S131 VanDerWaalsContact O-N 3.07Å; K127-S131 PolarHBondContact O-OG 3.4Å; T128-S131 WeakPolarHBondContact O-CB 3.32Å; T128-S131 PolarHBondContact O-N 3Å; T128-S131 VanDerWaalsContact O-N 3.13Å; W129-S131 PolarHBondContact O-N 3.3Å; S131-Y134 WeakPolarHBondContact O-CD1 3.47Å; S131-Y134 WeakPolarHBondContact O-CE1 3.33Å; S131-F294 WeakPolarHBondContact O-CD2 3.43Å
132	L	97	Very high	95.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-101.9	-13.9	179.3	-62.8	168.6	0	0	0	113.8	Y38 T128 W129 F130 Q246 Y249 I250 F294 Q295 M298	Y38-L132 HydrophobicContact CE2-CD1 3.29Å; Y38-L132 WeakPolarHBondContact OH-CD1 3.05Å; T128-L132 PolarHBondContact O-N 3.11Å; W129-L132 WeakPolarHBondContact O-CA 3.15Å; W129-L132 WeakPolarHBondContact O-CB 3.4Å; W129-L132 PolarHBondContact O-N 2.74Å; F130-L132 PolarHBondContact O-N 2.59Å; F130-L132 VanDerWaalsContact O-N 3.12Å; L132-Q246 VanDerWaalsContact O-CB 3.28Å; L132-Q246 WeakPolarHBondContact O-CB 3.49Å; L132-Q246 WeakPolarHBondContact O-CG 3.43Å; L132-Q246 PolarHBondContact O-NE2 2.81Å; L132-Q246 PolarHBondContact O-OE1 3.04Å; L132-Y249 HydrophobicContact CD1-CE1 4.34Å; L132-Y249 HydrophobicContact CD2-CE1 4Å; L132-I250 HydrophobicContact CB-CD1 4.2Å; L132-I250 HydrophobicContact CD1-CD1 4.43Å; L132-F294 HydrophobicContact CD2-CB 4.06Å; L132-Q295 HydrophobicContact CD2-CB 4.39Å; L132-Q295 HydrophobicContact CD2-CG 3.93Å; L132-M298 HydrophobicContact CD1-CB 4.48Å; L132-M298 HydrophobicContact CD1-CG 4.19Å; L132-M298 HydrophobicContact CD2-CG 4.5Å
133	T	97.9	Very high	95.8	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-125.5	2.7	-173.1	61.2	0	0	0	0	114.2	W129 F130 L135 I136 I250	W129-T133 HydrophobicContact CD2-CG2 4.06Å; W129-T133 HydrophobicContact CE3-CG2 4.48Å; W129-T133 HydrophobicContact CH2-CG2 4.21Å; W129-T133 HydrophobicContact CZ2-CG2 3.71Å; W129-T133 PolarHBondContact O-N 3.21Å; W129-T133 VanDerWaalsContact O-N 3.14Å; W129-T133 PolarHBondContact O-OG1 3.13Å; W129-T133 VanDerWaalsContact O-OG1 3.09Å; F130-T133 PolarHBondContact O-N 2.77Å; T133-L135 PolarHBondContact O-N 3.41Å; T133-I136 HydrophobicContact CG2-CD1 4.06Å; T133-I136 WeakPolarHBondContact O-CB 3.37Å; T133-I136 PolarHBondContact O-N 3.19Å; T133-I250 HydrophobicContact CG2-CD1 4.34Å; T133-I250 HydrophobicContact CG2-CG1 4.07Å
134	Y	97.4	Very high	96	Very high	53 Å²	53	48.1 Å²	48.1	21%	0.208	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.3	-174.2	72.3	-85.3	0	0	0	116	F130 S131 Q246 E287 V291	F130-Y134 WeakPolarHBondContact O-CB 3.15Å; F130-Y134 PolarHBondContact O-N 3.31Å; S131-Y134 WeakPolarHBondContact O-CD1 3.47Å; S131-Y134 WeakPolarHBondContact O-CE1 3.33Å; Y134-Q246 VanDerWaalsContact CD1-NE2 3.33Å; Y134-E287 WeakPolarHBondContact CE2-OE1 3.31Å; Y134-E287 PolarHBondContact OH-OE1 3.41Å; Y134-V291 HydrophobicContact CE1-CG2 4.45Å; Y134-V291 WeakPolarHBondContact OH-CG2 3.45Å
135	L	98.3	Very high	96.2	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.131	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-3	173.3	-59.5	174.1	0	0	0	112.9	T133 D137 K239 L242 Q246 E287 V291	T133-L135 PolarHBondContact O-N 3.41Å; L135-D137 PolarHBondContact O-N 2.83Å; L135-K239 HydrophobicContact CD2-CB 4.38Å; L135-K239 HydrophobicContact CD2-CD 4.49Å; L135-L242 HydrophobicContact CD1-CB 3.6Å; L135-Q246 VanDerWaalsContact CB-OE1 3.26Å; L135-E287 HydrophobicContact CD1-CG 4.22Å; L135-V291 HydrophobicContact CD1-CG2 3.73Å
136	I	98.4	Very high	96.5	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.214	C	C	.	.			trans	-90.6	102.8	177.4	-50.2	176.5	0	0	0	108.7	C57 F78 T133 I141 Q246 F247	C57-I136 HydrophobicContact CB-CB 4.17Å; C57-I136 HydrophobicContact CB-CG2 4.28Å; C57-I136 WeakPolarHBondContact CB-O 3.05Å; C57-I136 VanDerWaalsContact SG-CG2 3.52Å; F78-I136 HydrophobicContact CE1-CD1 4.27Å; T133-I136 HydrophobicContact CG2-CD1 4.06Å; T133-I136 WeakPolarHBondContact O-CB 3.37Å; T133-I136 PolarHBondContact O-N 3.19Å; I136-I141 HydrophobicContact CG2-CD1 3.97Å; I136-I141 HydrophobicContact CG2-CG1 3.6Å; I136-Q246 HydrophobicContact CD1-CB 3.86Å; I136-Q246 HydrophobicContact CG1-CB 3.86Å; I136-F247 HydrophobicContact CD1-CB 4.19Å; I136-F247 HydrophobicContact CG2-CD2 4.3Å
137	D	97	Very high	96.5	Very high	34 Å²	34	46.7 Å²	46.7	18%	0.182	24%	0.235	C	C	.	.			trans	-104.3	173.8	172.7	62.7	28.5	0	0	0	112.5	Y80 L135 A139 L140 I141 R237	Y80-D137 HydrophobicContact CE2-CB 4.25Å; L135-D137 PolarHBondContact O-N 2.83Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.99Å; D137-A139 PolarHBondContact OD1-N 2.76Å; D137-L140 PolarHBondContact O-N 3.02Å; D137-L140 WeakPolarHBondContact OD1-CB 3.46Å; D137-L140 PolarHBondContact OD1-N 3.13Å; D137-I141 WeakPolarHBondContact O-CG1 3.37Å; D137-I141 PolarHBondContact O-N 3.05Å; D137-R237 IonicContact OD2-CZ 3.04Å; D137-R237 IonicContact OD2-NH1 3.05Å; D137-R237 IonicContact OD2-NH2 3.65Å; D137-R237 PolarHBondContact OD2-NH2 3Å
138	G	96.8	Very high	96.4	Very high	32 Å²	32	41.5 Å²	41.5	33%	0.33	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-38.8	-178.6	0	0	0	0	0	113.4	I141 E142	G138-I141 PolarHBondContact O-N 3.25Å; G138-E142 WeakPolarHBondContact O-CB 3.48Å; G138-E142 PolarHBondContact O-N 3.3Å
139	A	97.2	Very high	96.3	Very high	56 Å²	56	45.3 Å²	45.3	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-38	178.4	0	0	0	0	0	111.7	D137 R143	D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.99Å; D137-A139 PolarHBondContact OD1-N 2.76Å; A139-R143 WeakPolarHBondContact O-CB 3.16Å; A139-R143 PolarHBondContact O-N 2.94Å
140	L	98.2	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-40.3	174.9	-173.1	60.9	0	0	0	112.2	D137 R143 L144 Y235 Q240 G243	D137-L140 PolarHBondContact O-N 3.02Å; D137-L140 WeakPolarHBondContact OD1-CB 3.46Å; D137-L140 PolarHBondContact OD1-N 3.13Å; L140-R143 PolarHBondContact O-N 3.04Å; L140-L144 HydrophobicContact CD1-CD1 3.75Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 3.8Å; L140-L144 HydrophobicContact CG-CG 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.9Å; L140-Y235 HydrophobicContact CD1-CE1 3.62Å; L140-Q240 HydrophobicContact CD1-CB 4.28Å; L140-G243 VanDerWaalsContact CD2-CA 3.47Å
141	I	98	Very high	96	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-52.9	174.9	-69.7	162.2	0	0	0	109.9	F78 Y80 I136 D137 G138 R143 L144 E145	F78-I141 HydrophobicContact CB-CB 4.45Å; F78-I141 HydrophobicContact CB-CD1 3.91Å; F78-I141 HydrophobicContact CB-CG1 3.85Å; F78-I141 HydrophobicContact CB-CG2 3.74Å; F78-I141 HydrophobicContact CG-CG1 4.47Å; Y80-I141 HydrophobicContact CD2-CD1 4.49Å; I136-I141 HydrophobicContact CG2-CD1 3.97Å; I136-I141 HydrophobicContact CG2-CG1 3.6Å; D137-I141 WeakPolarHBondContact O-CG1 3.37Å; D137-I141 PolarHBondContact O-N 3.05Å; G138-I141 PolarHBondContact O-N 3.25Å; I141-R143 PolarHBondContact O-N 2.89Å; I141-L144 PolarHBondContact O-N 2.81Å; I141-L144 VanDerWaalsContact O-N 3.1Å; I141-E145 WeakPolarHBondContact O-CB 3.4Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.46Å
142	E	96.6	Very high	95.8	Very high	131 Å²	131	40.5 Å²	40.5	61%	0.612	21%	0.205	S	C	*	.	H	α-helix	trans	-58.5	-33.9	179.9	-177.9	173.1	-159.9	0	0	112.1	G138 R200	G138-E142 WeakPolarHBondContact O-CB 3.48Å; G138-E142 PolarHBondContact O-N 3.3Å; E142-R200 PolarHBondContact O-NH2 3.4Å
143	R	97	Very high	95.6	Very high	89 Å²	89	41.8 Å²	41.8	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-68.2	-47.1	175.4	-179.4	-172.9	172.2	116.4	-10.1	112.5	A139 L140 I141 R200 T234 Y235	A139-R143 WeakPolarHBondContact O-CB 3.16Å; A139-R143 PolarHBondContact O-N 2.94Å; L140-R143 PolarHBondContact O-N 3.04Å; I141-R143 PolarHBondContact O-N 2.89Å; R143-R200 PolarHBondContact O-NE 3.23Å; R143-R200 PolarHBondContact O-NH2 2.84Å; R143-R200 VanDerWaalsContact O-NH2 3.16Å; R143-T234 PolarHBondContact NH1-O 3.36Å; R143-T234 VanDerWaalsContact NH2-CB 3.32Å; R143-T234 PolarHBondContact NH2-O 3.33Å; R143-T234 PolarHBondContact NH2-OG1 3.37Å; R143-Y235 VanDerWaalsContact NE-CE1 3.3Å
144	L	97.9	Very high	95.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-88.2	-30.9	-168.9	-65.2	178	0	0	0	113.9	L140 I141 I199 R200 F201 E244 F247	L140-L144 HydrophobicContact CD1-CD1 3.75Å; L140-L144 HydrophobicContact CD1-CG 4Å; L140-L144 HydrophobicContact CD2-CD1 4.42Å; L140-L144 HydrophobicContact CG-CD1 3.8Å; L140-L144 HydrophobicContact CG-CG 4.35Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 2.9Å; I141-L144 PolarHBondContact O-N 2.81Å; I141-L144 VanDerWaalsContact O-N 3.1Å; L144-I199 VanDerWaalsContact O-CG2 3.27Å; L144-I199 WeakPolarHBondContact O-CG2 3.37Å; L144-R200 WeakPolarHBondContact CD2-O 3.46Å; L144-R200 PolarHBondContact O-N 3.48Å; L144-F201 HydrophobicContact CD2-CD1 4.46Å; L144-E244 HydrophobicContact CD1-CB 4.01Å; L144-E244 HydrophobicContact CD1-CG 3.89Å; L144-E244 HydrophobicContact CD2-CG 3.92Å; L144-F247 HydrophobicContact CB-CD1 4.38Å; L144-F247 HydrophobicContact CB-CD2 4.45Å; L144-F247 HydrophobicContact CB-CE1 4.1Å; L144-F247 HydrophobicContact CB-CE2 4.16Å; L144-F247 HydrophobicContact CB-CZ 3.97Å; L144-F247 HydrophobicContact CD1-CB 3.82Å; L144-F247 HydrophobicContact CD1-CD1 4.01Å; L144-F247 HydrophobicContact CD1-CD2 3.95Å; L144-F247 HydrophobicContact CD1-CE2 4.48Å; L144-F247 HydrophobicContact CD1-CG 3.67Å
145	E	95	Very high	94.6	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.103	25%	0.245	C	C	.	.	S	Bend	trans	-58.8	145.8	-176.2	68.9	179.8	-176.9	0	0	111.6	I141 K149 R200	I141-E145 WeakPolarHBondContact O-CB 3.4Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.46Å; E145-K149 IonicContact OE1-NZ 3.3Å; E145-R200 PolarHBondContact O-NH1 2.9Å; E145-R200 PolarHBondContact O-NH2 3.36Å
146	P	95	Very high	94	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.25	C	C	.	.			trans	-57.2	155.4	172.6	-27.9	38.9	0	0	0	112.3	I148 K149 R150 I151 G196 S197 E198 I199	P146-I148 HydrophobicContact CB-CG1 3.91Å; P146-I148 PolarHBondContact O-N 3.46Å; P146-K149 WeakPolarHBondContact O-CA 2.98Å; P146-K149 PolarHBondContact O-N 3.33Å; P146-R150 VanDerWaalsContact CG-O 3.28Å; P146-R150 WeakPolarHBondContact CG-O 3.48Å; P146-I151 HydrophobicContact CG-CG1 4.09Å; P146-G196 CarbonylContact C-O 3.49Å; P146-G196 WeakPolarHBondContact CB-O 3.24Å; P146-S197 WeakPolarHBondContact CG-O 3.43Å; P146-E198 WeakPolarHBondContact CA-O 3.49Å; P146-E198 WeakPolarHBondContact CB-O 3.41Å; P146-I199 HydrophobicContact CG-CG1 4.07Å
147	E	93.1	Very high	93.4	Very high	138 Å²	138	52 Å²	52	65%	0.645	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.1	177.3	-63.8	-174.3	166.9	0	0	111.9	K149 G196 R200	E147-K149 PolarHBondContact O-N 3.02Å; E147-G196 PolarHBondContact N-O 3.29Å; E147-R200 VanDerWaalsContact N-NH1 3.2Å
148	I	90.7	Very high	92.9	Very high	61 Å²	61	51.4 Å²	51.4	31%	0.313	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.4	174.1	64.9	174.6	0	0	0	113.6	P146 R150 G196	P146-I148 HydrophobicContact CB-CG1 3.91Å; P146-I148 PolarHBondContact O-N 3.46Å; I148-R150 HydrophobicContact CB-CG 4.41Å; I148-R150 HydrophobicContact CD1-CG 3.5Å; I148-R150 HydrophobicContact CG1-CG 3.66Å; I148-R150 PolarHBondContact O-N 3.17Å; I148-R150 VanDerWaalsContact O-N 3.13Å; I148-G196 WeakPolarHBondContact CG1-O 3.37Å; I148-G196 PolarHBondContact N-O 3Å; I148-G196 VanDerWaalsContact N-O 3.1Å
149	K	91.2	Very high	92.5	Very high	119 Å²	119	51.2 Å²	51.2	52%	0.517	26%	0.263	S	S	.	.	S	Bend	trans	57.8	22.1	177.6	-56	-163.3	171.1	-153.3	0	116	F77 E145 P146 E147	F77-K149 WeakPolarHBondContact CB-O 3.17Å; E145-K149 IonicContact OE1-NZ 3.3Å; P146-K149 WeakPolarHBondContact O-CA 2.98Å; P146-K149 PolarHBondContact O-N 3.33Å; E147-K149 PolarHBondContact O-N 3.02Å
150	R	91.8	Very high	92	Very high	41 Å²	41	51.7 Å²	51.7	16%	0.155	26%	0.255	C	S	.	.			trans	-131.8	145	174.7	66.2	171.6	-163.4	167.5	5.8	110.6	I75 D94 P146 I148 D156	I75-R150 HydrophobicContact CG2-CB 4.22Å; D94-R150 IonicContact OD1-NH1 3.73Å; P146-R150 VanDerWaalsContact CG-O 3.28Å; P146-R150 WeakPolarHBondContact CG-O 3.48Å; I148-R150 HydrophobicContact CB-CG 4.41Å; I148-R150 HydrophobicContact CD1-CG 3.5Å; I148-R150 HydrophobicContact CG1-CG 3.66Å; I148-R150 PolarHBondContact O-N 3.17Å; I148-R150 VanDerWaalsContact O-N 3.13Å; R150-D156 IonicContact CZ-OD2 3.65Å; R150-D156 IonicContact NE-OD2 2.65Å; R150-D156 IonicContact NH2-OD1 3.87Å; R150-D156 PolarHBondContact NH2-OD1 2.99Å; R150-D156 IonicContact NH2-OD2 3.68Å; R150-D156 PolarHBondContact NH2-OD2 2.79Å
151	I	94.5	Very high	91.3	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	178	-64.8	172.3	0	0	0	106.8	F59 I75 G76 F78 P146 I199 F247 V257	F59-I151 HydrophobicContact CE2-CD1 4.4Å; I75-I151 CarbonylContact C-O 3.58Å; I75-I151 WeakPolarHBondContact CA-O 3.38Å; G76-I151 PolarHBondContact N-O 2.84Å; G76-I151 PolarHBondContact O-N 3.13Å; F78-I151 HydrophobicContact CD2-CD1 3.82Å; F78-I151 HydrophobicContact CE2-CD1 3.99Å; P146-I151 HydrophobicContact CG-CG1 4.09Å; I151-I199 HydrophobicContact CG1-CG1 4.43Å; I151-I199 HydrophobicContact CG2-CD1 4.1Å; I151-F247 HydrophobicContact CD1-CE1 4.09Å; I151-F247 HydrophobicContact CD1-CZ 3.72Å; I151-V257 HydrophobicContact CG2-CG2 3.5Å
152	S	93.3	Very high	90.7	Very high	24 Å²	24	57 Å²	57	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.1	-177.1	174	0	0	0	0	110.1	R74 Q154	R74-S152 WeakPolarHBondContact O-CA 3.38Å; S152-Q154 VanDerWaalsContact CB-O 3.25Å; S152-Q154 WeakPolarHBondContact CB-O 3.5Å; S152-Q154 PolarHBondContact O-N 2.85Å; S152-Q154 PolarHBondContact OG-N 3.31Å; S152-Q154 VanDerWaalsContact OG-N 3.15Å; S152-Q154 PolarHBondContact OG-O 2.84Å
153	A	92.3	Very high	90.1	Very high	28 Å²	28	55.3 Å²	55.3	23%	0.231	27%	0.27	C	S	.	.	S	Bend	trans	-62.4	-18.2	171.5	0	0	0	0	0	112.7	P73 R74 G255 H256	P73-A153 HydrophobicContact CB-CB 4.12Å; R74-A153 HydrophobicContact CB-CB 4.44Å; R74-A153 PolarHBondContact O-N 3.44Å; A153-G255 WeakPolarHBondContact CB-O 3.42Å; A153-H256 HydrophobicContact CB-CB 3.98Å
154	Q	89.6	Confident	89.4	Confident	126 Å²	126	55.9 Å²	55.9	59%	0.589	28%	0.276	S	S	*	.	S	Bend	trans	-116.5	129.1	174.8	-177.6	176.6	8.8	0	0	109.7	P73 S152	P73-Q154 HydrophobicContact CB-CB 3.84Å; P73-Q154 HydrophobicContact CG-CB 3.72Å; P73-Q154 VanDerWaalsContact CG-OE1 3.25Å; S152-Q154 VanDerWaalsContact CB-O 3.25Å; S152-Q154 WeakPolarHBondContact CB-O 3.5Å; S152-Q154 PolarHBondContact O-N 2.85Å; S152-Q154 PolarHBondContact OG-N 3.31Å; S152-Q154 VanDerWaalsContact OG-N 3.15Å; S152-Q154 PolarHBondContact OG-O 2.84Å
155	C	85	Confident	88.7	Confident	41 Å²	41	58.3 Å²	58.3	28%	0.277	29%	0.289	S	S	.	.			trans	-61.3	136.3	176.6	-40.7	0	0	0	0	111.4	L157 L193 E259	C155-L157 HydrophobicContact CB-CD2 4.19Å; C155-L157 HydrophobicContact CB-CG 4.09Å; C155-L157 PolarHBondContact O-N 3.08Å; C155-L193 HydrophobicContact CB-CD2 3.71Å; C155-E259 PolarHBondContact SG-OE1 3.21Å
156	D	84.6	Confident	88.1	Confident	43 Å²	43	58.5 Å²	58.5	23%	0.23	30%	0.297	C	S	.	.			trans	-77.6	101.9	165.3	-74.2	-34.7	0	0	0	108	R150 K194	R150-D156 IonicContact CZ-OD2 3.65Å; R150-D156 IonicContact NE-OD2 2.65Å; R150-D156 IonicContact NH2-OD1 3.87Å; R150-D156 PolarHBondContact NH2-OD1 2.99Å; R150-D156 IonicContact NH2-OD2 3.68Å; R150-D156 PolarHBondContact NH2-OD2 2.79Å; D156-K194 HydrophobicContact CB-CB 3.76Å; D156-K194 HydrophobicContact CB-CD 4.18Å; D156-K194 WeakPolarHBondContact O-CB 3.19Å; D156-K194 PolarHBondContact O-N 3.48Å
157	L	87.1	Confident	87.2	Confident	92 Å²	92	62.3 Å²	62.3	48%	0.482	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.3	177.6	-62.9	172.3	0	0	0	111.3	C155 M191 H192 L193	C155-L157 HydrophobicContact CB-CD2 4.19Å; C155-L157 HydrophobicContact CB-CG 4.09Å; C155-L157 PolarHBondContact O-N 3.08Å; L157-M191 HydrophobicContact CB-CE 3.59Å; L157-M191 HydrophobicContact CD1-CB 4.48Å; L157-M191 HydrophobicContact CD1-CE 4.37Å; L157-H192 CarbonylContact C-O 3.59Å; L157-H192 VanDerWaalsContact CA-O 3.29Å; L157-H192 WeakPolarHBondContact CA-O 3.18Å; L157-L193 HydrophobicContact CD2-CD2 4Å; L157-L193 HydrophobicContact CD2-CG 4.47Å
158	V	87.3	Confident	86.1	Confident	23 Å²	23	60 Å²	60	14%	0.139	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.3	172.7	-167.1	0	0	0	0	108.2	F162 E163 H192 K194	V158-F162 HydrophobicContact CG1-CB 4.17Å; V158-F162 HydrophobicContact CG1-CD1 3.51Å; V158-F162 HydrophobicContact CG1-CE1 4.35Å; V158-F162 HydrophobicContact CG1-CG 4.24Å; V158-E163 HydrophobicContact CB-CG 4.33Å; V158-E163 HydrophobicContact CG1-CG 3.59Å; V158-H192 PolarHBondContact N-O 3.39Å; V158-H192 PolarHBondContact O-N 2.89Å; V158-K194 HydrophobicContact CG2-CB 3.64Å; V158-K194 HydrophobicContact CG2-CG 3.89Å
159	S	87.8	Confident	84.9	Confident	27 Å²	27	57.2 Å²	57.2	19%	0.189	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.8	173.1	62.3	0	0	0	0	110.1	E161 F162 E163 I190 M191	S159-E161 PolarHBondContact O-N 3.28Å; S159-E161 VanDerWaalsContact O-N 3.09Å; S159-F162 WeakPolarHBondContact O-CB 3.4Å; S159-F162 PolarHBondContact O-N 3Å; S159-F162 VanDerWaalsContact OG-CB 3.28Å; S159-F162 WeakPolarHBondContact OG-CB 3.45Å; S159-F162 PolarHBondContact OG-N 3.42Å; S159-E163 PolarHBondContact O-N 3.04Å; S159-E163 VanDerWaalsContact O-N 3.15Å; S159-I190 WeakPolarHBondContact CA-O 3.45Å; S159-M191 VanDerWaalsContact CA-SD 3.56Å; S159-M191 VanDerWaalsContact CB-SD 3.59Å
160	K	85.9	Confident	83.6	Confident	66 Å²	66	57.6 Å²	57.6	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-51.4	-35.5	172.4	-178.2	171	177.9	174.5	0	112.8	F162 E163 E164 Y182 I190	K160-F162 PolarHBondContact O-N 3.05Å; K160-E163 PolarHBondContact O-N 3.07Å; K160-E164 WeakPolarHBondContact CE-OE1 3.01Å; K160-E164 HydrophobicContact CG-CG 4.49Å; K160-E164 IonicContact NZ-OE1 3.77Å; K160-E164 PolarHBondContact O-N 2.89Å; K160-Y182 HydrophobicContact CD-CD1 4.24Å; K160-Y182 HydrophobicContact CD-CG 4.16Å; K160-Y182 HydrophobicContact CG-CD2 4.37Å; K160-Y182 HydrophobicContact CG-CG 4.16Å; K160-I190 HydrophobicContact CB-CB 4.07Å; K160-I190 HydrophobicContact CB-CG2 4.24Å; K160-I190 HydrophobicContact CD-CB 4.46Å; K160-I190 HydrophobicContact CD-CD1 4.21Å; K160-I190 HydrophobicContact CD-CG2 4.37Å; K160-I190 PolarHBondContact N-O 2.84Å
161	E	84.7	Confident	82.5	Confident	17 Å²	17	64.7 Å²	64.7	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-42.9	176.1	-168.4	169.5	149.6	0	0	113	S159 E164 L165 V180 R181 Y182	S159-E161 PolarHBondContact O-N 3.28Å; S159-E161 VanDerWaalsContact O-N 3.09Å; E161-E164 PolarHBondContact O-N 3.4Å; E161-L165 HydrophobicContact CG-CD1 4.15Å; E161-L165 WeakPolarHBondContact O-CB 2.95Å; E161-L165 PolarHBondContact O-N 3.31Å; E161-V180 WeakPolarHBondContact OE2-CA 3.42Å; E161-R181 PolarHBondContact OE2-N 3.06Å; E161-Y182 HydrophobicContact CB-CD2 3.92Å; E161-Y182 HydrophobicContact CB-CE2 4.43Å; E161-Y182 HydrophobicContact CG-CD2 4.28Å; E161-Y182 HydrophobicContact CG-CE2 4.44Å
162	F	84.2	Confident	81.4	Confident	102 Å²	102	68.4 Å²	68.4	45%	0.447	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-37.2	176.5	-178.6	-91.5	0	0	0	111.7	V158 S159 K160 G166	V158-F162 HydrophobicContact CG1-CB 4.17Å; V158-F162 HydrophobicContact CG1-CD1 3.51Å; V158-F162 HydrophobicContact CG1-CE1 4.35Å; V158-F162 HydrophobicContact CG1-CG 4.24Å; S159-F162 WeakPolarHBondContact O-CB 3.4Å; S159-F162 PolarHBondContact O-N 3Å; S159-F162 VanDerWaalsContact OG-CB 3.28Å; S159-F162 WeakPolarHBondContact OG-CB 3.45Å; S159-F162 PolarHBondContact OG-N 3.42Å; K160-F162 PolarHBondContact O-N 3.05Å; F162-G166 WeakPolarHBondContact O-CA 3.25Å; F162-G166 PolarHBondContact O-N 2.91Å
163	E	83.8	Confident	80.7	Confident	95 Å²	95	70 Å²	70	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-44	176.3	-66.7	-177.2	120.4	0	0	112	V158 S159 K160 H192	V158-E163 HydrophobicContact CB-CG 4.33Å; V158-E163 HydrophobicContact CG1-CG 3.59Å; S159-E163 PolarHBondContact O-N 3.04Å; S159-E163 VanDerWaalsContact O-N 3.15Å; K160-E163 PolarHBondContact O-N 3.07Å; E163-H192 IonicContact OE2-CD2 3.55Å; E163-H192 PolarHBondContact OE2-CD2 2.94Å
164	E	83.1	Confident	80	Confident	101 Å²	101	80.8 Å²	80.8	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-80.3	-32.8	-176.2	-69.5	-168.9	-159.7	0	0	113.5	K160 E161 Y182	K160-E164 WeakPolarHBondContact CE-OE1 3.01Å; K160-E164 HydrophobicContact CG-CG 4.49Å; K160-E164 IonicContact NZ-OE1 3.77Å; K160-E164 PolarHBondContact O-N 2.89Å; E161-E164 PolarHBondContact O-N 3.4Å; E164-Y182 HydrophobicContact CB-CE2 4.44Å; E164-Y182 PolarHBondContact OE2-OH 3.4Å
165	L	82.9	Confident	79.3	Confident	52 Å²	52	83 Å²	83	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-123.1	-4.8	-169.1	-57.3	175.7	0	0	0	114.4	E161 S168 G169 R181 Y182	E161-L165 HydrophobicContact CG-CD1 4.15Å; E161-L165 WeakPolarHBondContact O-CB 2.95Å; E161-L165 PolarHBondContact O-N 3.31Å; L165-S168 PolarHBondContact O-OG 3.02Å; L165-G169 VanDerWaalsContact CB-CA 3.41Å; L165-G169 PolarHBondContact O-N 2.8Å; L165-R181 VanDerWaalsContact CD1-CD 3.41Å; L165-Y182 HydrophobicContact CD1-CE2 4.42Å
166	G	82.5	Confident	78.7	Confident	25 Å²	25	83.4 Å²	83.4	26%	0.258	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	59.7	-161.6	-175.6	0	0	0	0	0	113.5	F162 S168 G169	F162-G166 WeakPolarHBondContact O-CA 3.25Å; F162-G166 PolarHBondContact O-N 2.91Å; G166-S168 PolarHBondContact O-N 2.76Å; G166-G169 PolarHBondContact O-N 2.82Å; G166-G169 VanDerWaalsContact O-N 3.1Å
167	A	75.9	Confident	78.3	Confident	81 Å²	81	86.3 Å²	86.3	67%	0.669	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.4	178.1	0	0	0	0	0	113.5	G169	A167-G169 VanDerWaalsContact C-N 3.31Å
168	S	71.1	Confident	77.6	Confident	90 Å²	90	86.7 Å²	86.7	63%	0.629	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-72.8	-20.5	176.3	38.9	0	0	0	0	114.1	L165 G166 Q170	L165-S168 PolarHBondContact O-OG 3.02Å; G166-S168 PolarHBondContact O-N 2.76Å; S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.36Å
169	G	65.1	Low	76.9	Confident	3 Å²	3	94.6 Å²	94.6	3%	0.031	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-67.7	-26.4	-176.5	0	0	0	0	0	115	L165 G166 A167 R171	L165-G169 VanDerWaalsContact CB-CA 3.41Å; L165-G169 PolarHBondContact O-N 2.8Å; G166-G169 PolarHBondContact O-N 2.82Å; G166-G169 VanDerWaalsContact O-N 3.1Å; A167-G169 VanDerWaalsContact C-N 3.31Å; G169-R171 PolarHBondContact O-N 3.24Å
170	Q	64	Low	76.3	Confident	126 Å²	126	95.9 Å²	95.9	59%	0.589	48%	0.479	S	S	*	.			trans	-75.3	35.9	-177.3	-61.6	-174.2	-5.8	0	0	113.5	S168	S168-Q170 VanDerWaalsContact C-N 3.31Å; S168-Q170 PolarHBondContact O-N 3.36Å
171	R	67.9	Low	75.9	Confident	191 Å²	191	96.1 Å²	96.1	72%	0.721	48%	0.478	S	S	*	.			trans	-115.5	124.7	177.4	-69.9	-175.5	171.8	-166.2	-1.3	109.3	G169 D173 R181	G169-R171 PolarHBondContact O-N 3.24Å; R171-D173 PolarHBondContact O-N 3.05Å; R171-R181 PolarHBondContact O-NH2 3.01Å
172	V	72.2	Confident	75.8	Confident	83 Å²	83	98.3 Å²	98.3	50%	0.503	49%	0.486	S	S	.	.			trans	-71.7	122.7	166.4	179.2	0	0	0	0	106.9	N176 P177 R179	V172-N176 WeakPolarHBondContact CG1-O 3.32Å; V172-P177 WeakPolarHBondContact CG1-O 3.41Å; V172-R179 HydrophobicContact CG2-CB 4.08Å; V172-R179 HydrophobicContact CG2-CG 4.48Å
173	D	78.1	Confident	75.8	Confident	59 Å²	59	96.3 Å²	96.3	32%	0.316	49%	0.485	S	S	.	.			trans	-128	176.8	179	64.9	46.3	0	0	0	109.9	R171 Q175 N176 R181	R171-D173 PolarHBondContact O-N 3.05Å; D173-Q175 PolarHBondContact O-N 3.32Å; D173-Q175 VanDerWaalsContact OD1-CA 3.31Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.25Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.39Å; D173-Q175 PolarHBondContact OD1-N 2.89Å; D173-N176 PolarHBondContact N-O 2.81Å; D173-N176 VanDerWaalsContact N-O 3.14Å; D173-N176 CarbonylContact O-C 3.59Å; D173-N176 PolarHBondContact O-N 3.2Å; D173-N176 PolarHBondContact OD1-N 2.74Å; D173-R181 IonicContact OD2-CZ 3.63Å; D173-R181 IonicContact OD2-NH2 3.98Å; D173-R181 PolarHBondContact OD2-NH2 3.29Å
174	R	78.1	Confident	76	Confident	254 Å²	254	95 Å²	95	96%	0.958	48%	0.481	S	S	*	.	S	Bend	trans	-63.8	-24.2	-179.6	-89.5	-176.1	173.4	166.8	-1.8	113.5
175	Q	74.4	Confident	76.3	Confident	173 Å²	173	95.8 Å²	95.8	81%	0.808	50%	0.498	S	S	*	.	S	Bend	trans	-89.9	-23	-178.9	-65.2	161.6	-0.1	0	0	111.2	D173	D173-Q175 PolarHBondContact O-N 3.32Å; D173-Q175 VanDerWaalsContact OD1-CA 3.31Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.25Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.39Å; D173-Q175 PolarHBondContact OD1-N 2.89Å
176	N	73.3	Confident	76.5	Confident	49 Å²	49	100.6 Å²	100.6	26%	0.262	52%	0.519	S	S	.	.			trans	-131.2	88.2	177.2	-64.9	-70.5	0	0	0	110.3	V172 D173 V178 R181	V172-N176 WeakPolarHBondContact CG1-O 3.32Å; D173-N176 PolarHBondContact N-O 2.81Å; D173-N176 VanDerWaalsContact N-O 3.14Å; D173-N176 CarbonylContact O-C 3.59Å; D173-N176 PolarHBondContact O-N 3.2Å; D173-N176 PolarHBondContact OD1-N 2.74Å; N176-V178 PolarHBondContact O-N 3.15Å; N176-R181 HydrophobicContact CB-CG 4.34Å; N176-R181 PolarHBondContact ND2-NH1 3.27Å; N176-R181 VanDerWaalsContact ND2-NH1 3.18Å
177	P	74.4	Confident	76.5	Confident	104 Å²	104	101.7 Å²	101.7	68%	0.675	53%	0.53	S	S	*	.			trans	-73.6	-10.1	-175.6	29	-34.2	0	0	0	113.7	V172	V172-P177 WeakPolarHBondContact CG1-O 3.41Å
178	V	74.1	Confident	77.1	Confident	99 Å²	99	102.9 Å²	102.9	60%	0.6	53%	0.525	S	S	*	.	S	Bend	trans	-111.5	143.9	-179.8	-165.9	0	0	0	0	109.4	N176 V180	N176-V178 PolarHBondContact O-N 3.15Å; V178-V180 PolarHBondContact O-N 3.37Å
179	R	71	Confident	77.8	Confident	189 Å²	189	101.4 Å²	101.4	71%	0.713	51%	0.513	S	S	*	.	S	Bend	trans	-68.1	-19.9	-176	-165.2	-173.6	-100	-165.3	-4.9	113.6	V172	V172-R179 HydrophobicContact CG2-CB 4.08Å; V172-R179 HydrophobicContact CG2-CG 4.48Å
180	V	74.8	Confident	78.9	Confident	54 Å²	54	103.6 Å²	103.6	33%	0.327	52%	0.524	S	S	.	.			trans	-111.7	113.1	-179.7	-179	0	0	0	0	108.3	E161 V178 Y182 P189	E161-V180 WeakPolarHBondContact OE2-CA 3.42Å; V178-V180 PolarHBondContact O-N 3.37Å; V180-Y182 WeakPolarHBondContact CG1-O 3.44Å; V180-P189 HydrophobicContact CG1-CB 4.18Å; V180-P189 HydrophobicContact CG1-CG 4.08Å; V180-P189 HydrophobicContact CG2-CG 4.13Å
181	R	78.7	Confident	80.1	Confident	71 Å²	71	101.9 Å²	101.9	27%	0.268	52%	0.517	S	S	.	.	S	Bend	trans	-84.2	-33.5	-179.7	-63.8	-179.9	-170.2	-144.3	-9.9	112.6	E161 L165 R171 D173 N176	E161-R181 PolarHBondContact OE2-N 3.06Å; L165-R181 VanDerWaalsContact CD1-CD 3.41Å; R171-R181 PolarHBondContact O-NH2 3.01Å; D173-R181 IonicContact OD2-CZ 3.63Å; D173-R181 IonicContact OD2-NH2 3.98Å; D173-R181 PolarHBondContact OD2-NH2 3.29Å; N176-R181 HydrophobicContact CB-CG 4.34Å; N176-R181 PolarHBondContact ND2-NH1 3.27Å; N176-R181 VanDerWaalsContact ND2-NH1 3.18Å
182	Y	82.4	Confident	81.1	Confident	63 Å²	63	96.7 Å²	96.7	25%	0.247	50%	0.5	C	S	.	.	S	Bend	trans	-117	110.6	-176.8	-53.4	-80.5	0	0	0	109.4	K160 E161 E164 L165 V180 I190	K160-Y182 HydrophobicContact CD-CD1 4.24Å; K160-Y182 HydrophobicContact CD-CG 4.16Å; K160-Y182 HydrophobicContact CG-CD2 4.37Å; K160-Y182 HydrophobicContact CG-CG 4.16Å; E161-Y182 HydrophobicContact CB-CD2 3.92Å; E161-Y182 HydrophobicContact CB-CE2 4.43Å; E161-Y182 HydrophobicContact CG-CD2 4.28Å; E161-Y182 HydrophobicContact CG-CE2 4.44Å; E164-Y182 HydrophobicContact CB-CE2 4.44Å; E164-Y182 PolarHBondContact OE2-OH 3.4Å; L165-Y182 HydrophobicContact CD1-CE2 4.42Å; V180-Y182 WeakPolarHBondContact CG1-O 3.44Å; Y182-I190 PolarHBondContact O-N 3.13Å
183	S	85.1	Confident	81.8	Confident	61 Å²	61	96.5 Å²	96.5	43%	0.427	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-126.8	153.1	176.7	49.6	0	0	0	0	111.6	L188	S183-L188 CarbonylContact C-O 3.54Å; S183-L188 WeakPolarHBondContact CA-O 3.46Å; S183-L188 WeakPolarHBondContact CB-O 3.44Å
184	D	88	Confident	82.4	Confident	67 Å²	67	98 Å²	98	36%	0.358	50%	0.5	S	S	.	.			trans	-75.7	-177	171.8	70.6	10.3	0	0	0	111.8	Q186 G187 L188 I190	D184-Q186 PolarHBondContact O-N 2.99Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.43Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.44Å; D184-Q186 PolarHBondContact OD1-N 3.09Å; D184-G187 PolarHBondContact O-N 3.14Å; D184-G187 PolarHBondContact OD1-N 3.48Å; D184-L188 PolarHBondContact N-O 2.61Å; D184-L188 PolarHBondContact OD1-N 3Å; D184-I190 HydrophobicContact CB-CG1 4.47Å
185	S	88.7	Confident	83	Confident	117 Å²	117	90.2 Å²	90.2	82%	0.818	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.7	178.4	64.6	0	0	0	0	114.9
186	Q	87.1	Confident	83.8	Confident	154 Å²	154	82.1 Å²	82.1	72%	0.72	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	2.6	177.8	-59.2	-61	-44.7	0	0	112.2	D184 L188	D184-Q186 PolarHBondContact O-N 2.99Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.43Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.44Å; D184-Q186 PolarHBondContact OD1-N 3.09Å; Q186-L188 VanDerWaalsContact C-N 3.32Å
187	G	83.4	Confident	84.7	Confident	48 Å²	48	80.6 Å²	80.6	50%	0.495	44%	0.438	S	S	.	.	S	Bend	trans	79.4	10.4	-178.7	0	0	0	0	0	114.2	D184	D184-G187 PolarHBondContact O-N 3.14Å; D184-G187 PolarHBondContact OD1-N 3.48Å
188	L	87	Confident	85.6	Confident	106 Å²	106	79.1 Å²	79.1	56%	0.555	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-85.4	146.9	177.6	-67.3	173.9	0	0	0	111.1	S183 D184 Q186 I190	S183-L188 CarbonylContact C-O 3.54Å; S183-L188 WeakPolarHBondContact CA-O 3.46Å; S183-L188 WeakPolarHBondContact CB-O 3.44Å; D184-L188 PolarHBondContact N-O 2.61Å; D184-L188 PolarHBondContact OD1-N 3Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; L188-I190 PolarHBondContact O-N 3.41Å
189	P	85.8	Confident	86.7	Confident	59 Å²	59	75.8 Å²	75.8	38%	0.383	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-55.8	133.6	174.4	-22.4	32.1	0	0	0	111.5	V180 M191	V180-P189 HydrophobicContact CG1-CB 4.18Å; V180-P189 HydrophobicContact CG1-CG 4.08Å; V180-P189 HydrophobicContact CG2-CG 4.13Å; P189-M191 HydrophobicContact CB-SD 4.47Å; P189-M191 PolarHBondContact O-N 3.43Å
190	I	89.1	Confident	87.9	Confident	49 Å²	49	70.9 Å²	70.9	25%	0.251	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-72.6	118.2	174.6	-56.4	177.5	0	0	0	108.4	S159 K160 Y182 D184 L188 H192	S159-I190 WeakPolarHBondContact CA-O 3.45Å; K160-I190 HydrophobicContact CB-CB 4.07Å; K160-I190 HydrophobicContact CB-CG2 4.24Å; K160-I190 HydrophobicContact CD-CB 4.46Å; K160-I190 HydrophobicContact CD-CD1 4.21Å; K160-I190 HydrophobicContact CD-CG2 4.37Å; K160-I190 PolarHBondContact N-O 2.84Å; Y182-I190 PolarHBondContact O-N 3.13Å; D184-I190 HydrophobicContact CB-CG1 4.47Å; L188-I190 PolarHBondContact O-N 3.41Å; I190-H192 WeakPolarHBondContact CG2-NE2 3.47Å
191	M	88.9	Confident	89	Confident	90 Å²	90	70.1 Å²	70.1	44%	0.443	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.9	-179	-59.5	-65.3	-81.7	0	0	110.5	L157 S159 P189	L157-M191 HydrophobicContact CB-CE 3.59Å; L157-M191 HydrophobicContact CD1-CB 4.48Å; L157-M191 HydrophobicContact CD1-CE 4.37Å; S159-M191 VanDerWaalsContact CA-SD 3.56Å; S159-M191 VanDerWaalsContact CB-SD 3.59Å; P189-M191 HydrophobicContact CB-SD 4.47Å; P189-M191 PolarHBondContact O-N 3.43Å
192	H	88.7	Confident	89.9	Confident	82 Å²	82	67.2 Å²	67.2	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.4	175.8	-60.2	-62.6	0	0	0	110	L157 V158 E163 I190	L157-H192 CarbonylContact C-O 3.59Å; L157-H192 VanDerWaalsContact CA-O 3.29Å; L157-H192 WeakPolarHBondContact CA-O 3.18Å; V158-H192 PolarHBondContact N-O 3.39Å; V158-H192 PolarHBondContact O-N 2.89Å; E163-H192 IonicContact OE2-CD2 3.55Å; E163-H192 PolarHBondContact OE2-CD2 2.94Å; I190-H192 WeakPolarHBondContact CG2-NE2 3.47Å
193	L	87.6	Confident	90.4	Very high	78 Å²	78	68.3 Å²	68.3	41%	0.408	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.2	167.9	-72.3	169.1	0	0	0	108.9	C155 L157 P195 E198	C155-L193 HydrophobicContact CB-CD2 3.71Å; L157-L193 HydrophobicContact CD2-CD2 4Å; L157-L193 HydrophobicContact CD2-CG 4.47Å; L193-P195 WeakPolarHBondContact O-CD 3.16Å; L193-E198 HydrophobicContact CD1-CB 4.29Å
194	K	89.5	Confident	90.5	Very high	92 Å²	92	67.8 Å²	67.8	40%	0.4	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-59.6	124.6	173.6	-176.7	-179.5	176.4	-174.5	0	108.1	D156 V158 G196 S197	D156-K194 HydrophobicContact CB-CB 3.76Å; D156-K194 HydrophobicContact CB-CD 4.18Å; D156-K194 WeakPolarHBondContact O-CB 3.19Å; D156-K194 PolarHBondContact O-N 3.48Å; V158-K194 HydrophobicContact CG2-CB 3.64Å; V158-K194 HydrophobicContact CG2-CG 3.89Å; K194-G196 PolarHBondContact O-N 3.18Å; K194-S197 VanDerWaalsContact O-CB 3.26Å; K194-S197 WeakPolarHBondContact O-CB 3.46Å; K194-S197 PolarHBondContact O-N 3.2Å; K194-S197 PolarHBondContact O-OG 3.05Å
195	P	90.3	Very high	90.3	Very high	90 Å²	90	66 Å²	66	58%	0.584	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	133.9	179.5	-28	35.2	0	0	0	112	L193 S197	L193-P195 WeakPolarHBondContact O-CD 3.16Å; P195-S197 VanDerWaalsContact C-N 3.27Å; P195-S197 PolarHBondContact O-N 2.88Å
196	G	92.7	Very high	89.7	Confident	2 Å²	2	63.3 Å²	63.3	2%	0.021	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-0.4	-178.9	0	0	0	0	0	114.6	P146 E147 I148 K194 E198	P146-G196 CarbonylContact C-O 3.49Å; P146-G196 WeakPolarHBondContact CB-O 3.24Å; E147-G196 PolarHBondContact N-O 3.29Å; I148-G196 WeakPolarHBondContact CG1-O 3.37Å; I148-G196 PolarHBondContact N-O 3Å; I148-G196 VanDerWaalsContact N-O 3.1Å; K194-G196 PolarHBondContact O-N 3.18Å; G196-E198 PolarHBondContact N-OE1 2.79Å; G196-E198 PolarHBondContact N-OE2 2.94Å
197	S	92.5	Very high	88.9	Confident	18 Å²	18	57.1 Å²	57.1	13%	0.126	33%	0.327	C	S	.	.			trans	-91.6	-17.3	174.3	73.8	0	0	0	0	113.5	P146 K194 P195	P146-S197 WeakPolarHBondContact CG-O 3.43Å; K194-S197 VanDerWaalsContact O-CB 3.26Å; K194-S197 WeakPolarHBondContact O-CB 3.46Å; K194-S197 PolarHBondContact O-N 3.2Å; K194-S197 PolarHBondContact O-OG 3.05Å; P195-S197 VanDerWaalsContact C-N 3.27Å; P195-S197 PolarHBondContact O-N 2.88Å
198	E	93.5	Very high	88.3	Confident	73 Å²	73	58.9 Å²	58.9	34%	0.341	33%	0.325	S	S	.	.	S	Bend	trans	-69.9	139.4	178.6	65.7	-78.4	-173.9	0	0	112	P146 L193 G196 R200	P146-E198 WeakPolarHBondContact CA-O 3.49Å; P146-E198 WeakPolarHBondContact CB-O 3.41Å; L193-E198 HydrophobicContact CD1-CB 4.29Å; G196-E198 PolarHBondContact N-OE1 2.79Å; G196-E198 PolarHBondContact N-OE2 2.94Å; E198-R200 PolarHBondContact O-N 2.71Å
199	I	96.3	Very high	87.2	Confident	28 Å²	28	58.9 Å²	58.9	14%	0.144	33%	0.325	C	S	.	.			trans	-69	128.4	166.3	-55.7	176.1	0	0	0	107	L144 P146 I151 F201 F247 C251 V257	L144-I199 VanDerWaalsContact O-CG2 3.27Å; L144-I199 WeakPolarHBondContact O-CG2 3.37Å; P146-I199 HydrophobicContact CG-CG1 4.07Å; I151-I199 HydrophobicContact CG1-CG1 4.43Å; I151-I199 HydrophobicContact CG2-CD1 4.1Å; I199-F201 HydrophobicContact CB-CD2 3.94Å; I199-F201 HydrophobicContact CB-CE2 3.75Å; I199-F201 HydrophobicContact CB-CG 4.48Å; I199-F201 HydrophobicContact CB-CZ 4.13Å; I199-F201 HydrophobicContact CD1-CE2 3.94Å; I199-F201 HydrophobicContact CD1-CZ 3.97Å; I199-F201 HydrophobicContact CG1-CE2 4.43Å; I199-F201 HydrophobicContact CG2-CD1 3.84Å; I199-F201 HydrophobicContact CG2-CD2 3.84Å; I199-F201 HydrophobicContact CG2-CE1 3.64Å; I199-F201 HydrophobicContact CG2-CE2 3.63Å; I199-F201 HydrophobicContact CG2-CG 3.94Å; I199-F201 HydrophobicContact CG2-CZ 3.53Å; I199-F201 PolarHBondContact O-N 3.38Å; I199-F247 HydrophobicContact CG2-CE1 3.8Å; I199-C251 HydrophobicContact CD1-CB 4.47Å; I199-V257 HydrophobicContact CD1-CG1 4.11Å
200	R	96.6	Very high	86.2	Confident	87 Å²	87	58.7 Å²	58.7	33%	0.328	33%	0.334	S	S	.	.			trans	-82.9	54.3	-175	-63.5	-167.3	-63.8	-88.4	-4	112.1	E142 R143 L144 E145 E147 E198	E142-R200 PolarHBondContact O-NH2 3.4Å; R143-R200 PolarHBondContact O-NE 3.23Å; R143-R200 PolarHBondContact O-NH2 2.84Å; R143-R200 VanDerWaalsContact O-NH2 3.16Å; L144-R200 WeakPolarHBondContact CD2-O 3.46Å; L144-R200 PolarHBondContact O-N 3.48Å; E145-R200 PolarHBondContact O-NH1 2.9Å; E145-R200 PolarHBondContact O-NH2 3.36Å; E147-R200 VanDerWaalsContact N-NH1 3.2Å; E198-R200 PolarHBondContact O-N 2.71Å
201	F	97.3	Very high	85.4	Confident	38 Å²	38	66.1 Å²	66.1	17%	0.167	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.2	152.9	174.9	-70.1	-52.3	0	0	0	112	L144 I199 A203 E244 F247 A248 A260 Q263	L144-F201 HydrophobicContact CD2-CD1 4.46Å; I199-F201 HydrophobicContact CB-CD2 3.94Å; I199-F201 HydrophobicContact CB-CE2 3.75Å; I199-F201 HydrophobicContact CB-CG 4.48Å; I199-F201 HydrophobicContact CB-CZ 4.13Å; I199-F201 HydrophobicContact CD1-CE2 3.94Å; I199-F201 HydrophobicContact CD1-CZ 3.97Å; I199-F201 HydrophobicContact CG1-CE2 4.43Å; I199-F201 HydrophobicContact CG2-CD1 3.84Å; I199-F201 HydrophobicContact CG2-CD2 3.84Å; I199-F201 HydrophobicContact CG2-CE1 3.64Å; I199-F201 HydrophobicContact CG2-CE2 3.63Å; I199-F201 HydrophobicContact CG2-CG 3.94Å; I199-F201 HydrophobicContact CG2-CZ 3.53Å; I199-F201 PolarHBondContact O-N 3.38Å; F201-A203 PolarHBondContact O-N 3.44Å; F201-E244 HydrophobicContact CD1-CG 3.91Å; F201-E244 HydrophobicContact CE1-CG 4.41Å; F201-F247 AromaticContact CE1-CD1 3.95Å; F201-F247 HydrophobicContact CE1-CD1 3.95Å; F201-F247 HydrophobicContact CE1-CE1 4.4Å; F201-F247 HydrophobicContact CZ-CD1 4.45Å; F201-A248 HydrophobicContact CE1-CB 3.85Å; F201-A248 HydrophobicContact CZ-CB 3.99Å; F201-A260 HydrophobicContact CE2-CB 4.2Å; F201-A260 HydrophobicContact CZ-CB 3.89Å; F201-Q263 HydrophobicContact CB-CG 3.9Å; F201-Q263 HydrophobicContact CD1-CB 4.29Å; F201-Q263 HydrophobicContact CD1-CG 3.66Å; F201-Q263 HydrophobicContact CD2-CB 3.78Å; F201-Q263 HydrophobicContact CD2-CG 3.9Å; F201-Q263 HydrophobicContact CE1-CB 4.35Å; F201-Q263 HydrophobicContact CE1-CG 4.06Å; F201-Q263 HydrophobicContact CE2-CB 3.85Å; F201-Q263 HydrophobicContact CE2-CG 4.28Å; F201-Q263 HydrophobicContact CG-CB 4.01Å; F201-Q263 HydrophobicContact CG-CG 3.57Å; F201-Q263 HydrophobicContact CZ-CB 4.14Å; F201-Q263 HydrophobicContact CZ-CG 4.35Å
202	T	96.9	Very high	84.9	Confident	10 Å²	10	62.6 Å²	62.6	6%	0.061	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70	122.7	179.4	-59.9	0	0	0	0	109.8	M231 T234 Y235 E244 Q263	T202-M231 HydrophobicContact CG2-CB 4.06Å; T202-M231 HydrophobicContact CG2-CE 3.95Å; T202-M231 HydrophobicContact CG2-CG 4.05Å; T202-T234 HydrophobicContact CG2-CG2 4.43Å; T202-Y235 VanDerWaalsContact OG1-CE2 3.29Å; T202-Y235 WeakPolarHBondContact OG1-CE2 3.42Å; T202-Y235 PolarHBondContact OG1-OH 3.08Å; T202-E244 VanDerWaalsContact CB-OE2 3.24Å; T202-E244 WeakPolarHBondContact CB-OE2 3.37Å; T202-E244 PolarHBondContact N-OE1 3.41Å; T202-E244 PolarHBondContact N-OE2 2.89Å; T202-E244 PolarHBondContact OG1-OE2 3.4Å; T202-Q263 PolarHBondContact O-NE2 3.34Å
203	A	93	Very high	84.7	Confident	85 Å²	85	62.3 Å²	62.3	70%	0.702	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-66.7	142.9	174.1	0	0	0	0	0	111	F201	F201-A203 PolarHBondContact O-N 3.44Å
204	I	87.6	Confident	84.7	Confident	51 Å²	51	64.2 Å²	64.2	26%	0.262	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-87.2	127.5	179.5	-58.5	-142.8	0	0	0	109.9	S206 A227 M231 L266 I270	I204-S206 PolarHBondContact O-N 3.08Å; I204-S206 VanDerWaalsContact O-N 3.13Å; I204-A227 HydrophobicContact CG2-CB 4.18Å; I204-M231 HydrophobicContact CD1-CE 4Å; I204-M231 HydrophobicContact CD1-SD 3.88Å; I204-M231 HydrophobicContact CG1-CE 3.91Å; I204-M231 HydrophobicContact CG1-SD 4Å; I204-L266 HydrophobicContact CD1-CD1 3.75Å; I204-L266 HydrophobicContact CD1-CD2 3.25Å; I204-L266 HydrophobicContact CD1-CG 3.24Å; I204-L266 HydrophobicContact CG1-CD2 3.56Å; I204-L266 HydrophobicContact CG1-CG 4.14Å; I204-I270 HydrophobicContact CD1-CD1 3.74Å; I204-I270 HydrophobicContact CD1-CG1 3.57Å; I204-I270 HydrophobicContact CG2-CD1 4.16Å
205	P	83.6	Confident	84.5	Confident	28 Å²	28	64.3 Å²	64.3	18%	0.182	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-55.8	120.1	171.9	-24.3	34.1	0	0	0	110.5	L209 F226	P205-L209 HydrophobicContact CB-CD1 3.9Å; P205-F226 HydrophobicContact CB-CE2 3.65Å; P205-F226 HydrophobicContact CB-CZ 3.79Å; P205-F226 WeakPolarHBondContact O-CZ 3.37Å
206	S	76.3	Confident	84.3	Confident	61 Å²	61	64.2 Å²	64.2	43%	0.427	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-67.7	139.6	175.2	176.8	0	0	0	0	110.8	I204 D208 L209 F226	I204-S206 PolarHBondContact O-N 3.08Å; I204-S206 VanDerWaalsContact O-N 3.13Å; S206-D208 PolarHBondContact O-N 3.12Å; S206-D208 VanDerWaalsContact O-N 3.16Å; S206-D208 PolarHBondContact OG-N 3.07Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.41Å; S206-L209 WeakPolarHBondContact O-CD1 3.01Å; S206-L209 WeakPolarHBondContact O-CG 3.48Å; S206-L209 PolarHBondContact O-N 3.24Å; S206-F226 WeakPolarHBondContact O-CZ 3.27Å
207	A	70.8	Confident	84	Confident	24 Å²	24	68.9 Å²	68.9	20%	0.198	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.3	172.8	0	0	0	0	0	112.4	L209 C212 R220 F226	A207-L209 VanDerWaalsContact C-N 3.26Å; A207-L209 PolarHBondContact O-N 3.42Å; A207-C212 PolarHBondContact O-SG 2.91Å; A207-C212 VanDerWaalsContact O-SG 3.38Å; A207-R220 HydrophobicContact CB-CB 4.04Å; A207-F226 HydrophobicContact CB-CE1 4.46Å
208	D	69.7	Low	83.7	Confident	86 Å²	86	71.3 Å²	71.3	46%	0.46	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.6	177.8	-67.4	-29.8	0	0	0	113.8	S206 G210 R217	S206-D208 PolarHBondContact O-N 3.12Å; S206-D208 VanDerWaalsContact O-N 3.16Å; S206-D208 PolarHBondContact OG-N 3.07Å; D208-G210 PolarHBondContact O-N 2.96Å; D208-R217 WeakPolarHBondContact OD1-CD 3.25Å; D208-R217 IonicContact OD1-CZ 3.06Å; D208-R217 IonicContact OD1-NE 3.29Å; D208-R217 PolarHBondContact OD1-NE 3.47Å; D208-R217 IonicContact OD1-NH1 2.77Å; D208-R217 PolarHBondContact OD1-NH1 2.82Å; D208-R217 IonicContact OD1-NH2 3.83Å; D208-R217 IonicContact OD2-NH1 3.94Å
209	L	65.3	Low	83.4	Confident	106 Å²	106	70.1 Å²	70.1	56%	0.555	41%	0.407	S	S	*	.	S	Bend	trans	-64	107.7	175.9	-80.6	162.6	0	0	0	110.6	P205 S206 A207 R220	P205-L209 HydrophobicContact CB-CD1 3.9Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.41Å; S206-L209 WeakPolarHBondContact O-CD1 3.01Å; S206-L209 WeakPolarHBondContact O-CG 3.48Å; S206-L209 PolarHBondContact O-N 3.24Å; A207-L209 VanDerWaalsContact C-N 3.26Å; A207-L209 PolarHBondContact O-N 3.42Å; L209-R220 PolarHBondContact O-NH1 3.38Å
210	G	64.7	Low	83	Confident	55 Å²	55	72.4 Å²	72.4	57%	0.567	41%	0.414	S	S	*	.	S	Bend	trans	101.5	-177.8	174.8	0	0	0	0	0	114.4	D208 C212	D208-G210 PolarHBondContact O-N 2.96Å; G210-C212 PolarHBondContact O-N 3.24Å
211	H	72.7	Confident	82.4	Confident	205 Å²	205	71.5 Å²	71.5	95%	0.949	42%	0.421	S	S	*	.	S	Bend	trans	-76.6	50.9	172.7	-61.1	-64.9	0	0	0	111.5
212	C	77.6	Confident	81.9	Confident	16 Å²	16	75.8 Å²	75.8	11%	0.108	44%	0.443	C	S	.	.			trans	-72.4	139.7	179	53.2	0	0	0	0	111.2	A207 G210 E216 R217	A207-C212 PolarHBondContact O-SG 2.91Å; A207-C212 VanDerWaalsContact O-SG 3.38Å; G210-C212 PolarHBondContact O-N 3.24Å; C212-E216 WeakPolarHBondContact CA-OE2 3.2Å; C212-E216 HydrophobicContact CB-CB 4.21Å; C212-R217 HydrophobicContact CB-CG 4.24Å; C212-R217 WeakPolarHBondContact SG-CG 3.28Å; C212-R217 PolarHBondContact SG-NE 3.47Å
213	T	85.1	Confident	81.7	Confident	76 Å²	76	76.5 Å²	76.5	47%	0.466	45%	0.447	S	S	.	.			trans	-68.6	160.7	173.8	64.7	0	0	0	0	111	S215 E216 R217	T213-S215 PolarHBondContact O-N 3.4Å; T213-E216 PolarHBondContact N-OE2 2.91Å; T213-E216 PolarHBondContact O-N 3.27Å; T213-E216 VanDerWaalsContact O-N 3.16Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.41Å; T213-E216 PolarHBondContact OG1-N 2.83Å; T213-E216 PolarHBondContact OG1-OE2 3.18Å; T213-R217 WeakPolarHBondContact O-CG 3.17Å; T213-R217 PolarHBondContact O-N 3.14Å
214	V	85.9	Confident	81.7	Confident	118 Å²	118	73.5 Å²	73.5	72%	0.715	42%	0.418	S	S	*	.	H	α-helix	trans	-58	-37.1	176	179.6	0	0	0	0	111.6	R217 T218	V214-R217 PolarHBondContact O-N 3.01Å; V214-T218 PolarHBondContact O-N 3.49Å; V214-T218 PolarHBondContact O-OG1 2.65Å
215	S	86.9	Confident	82	Confident	94 Å²	94	71 Å²	71	66%	0.657	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-47.5	176	-173.2	0	0	0	0	111.5	T213 R217 T218 A219	T213-S215 PolarHBondContact O-N 3.4Å; S215-R217 PolarHBondContact O-N 3.41Å; S215-T218 PolarHBondContact O-N 3.21Å; S215-A219 PolarHBondContact O-N 2.98Å
216	E	86	Confident	82.3	Confident	88 Å²	88	72.4 Å²	72.4	41%	0.411	41%	0.409	S	S	.	.	H	α-helix	trans	-64.8	-38.3	177.5	-71.3	166.3	144.1	0	0	112.5	C212 T213 T218 A219 R220	C212-E216 WeakPolarHBondContact CA-OE2 3.2Å; C212-E216 HydrophobicContact CB-CB 4.21Å; T213-E216 PolarHBondContact N-OE2 2.91Å; T213-E216 PolarHBondContact O-N 3.27Å; T213-E216 VanDerWaalsContact O-N 3.16Å; T213-E216 VanDerWaalsContact OG1-CG 3.25Å; T213-E216 WeakPolarHBondContact OG1-CG 3.41Å; T213-E216 PolarHBondContact OG1-N 2.83Å; T213-E216 PolarHBondContact OG1-OE2 3.18Å; E216-T218 VanDerWaalsContact C-N 3.33Å; E216-A219 PolarHBondContact O-N 3.21Å; E216-R220 WeakPolarHBondContact O-CB 3.42Å; E216-R220 VanDerWaalsContact O-CG 3.28Å; E216-R220 WeakPolarHBondContact O-CG 3.38Å; E216-R220 PolarHBondContact O-N 2.94Å
217	R	85.4	Confident	83.1	Confident	100 Å²	100	69.5 Å²	69.5	38%	0.377	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-45.1	173.8	-72.6	-180	-177	-148.5	1.1	111.3	D208 C212 T213 V214 S215 R220 S221	D208-R217 WeakPolarHBondContact OD1-CD 3.25Å; D208-R217 IonicContact OD1-CZ 3.06Å; D208-R217 IonicContact OD1-NE 3.29Å; D208-R217 PolarHBondContact OD1-NE 3.47Å; D208-R217 IonicContact OD1-NH1 2.77Å; D208-R217 PolarHBondContact OD1-NH1 2.82Å; D208-R217 IonicContact OD1-NH2 3.83Å; D208-R217 IonicContact OD2-NH1 3.94Å; C212-R217 HydrophobicContact CB-CG 4.24Å; C212-R217 WeakPolarHBondContact SG-CG 3.28Å; C212-R217 PolarHBondContact SG-NE 3.47Å; T213-R217 WeakPolarHBondContact O-CG 3.17Å; T213-R217 PolarHBondContact O-N 3.14Å; V214-R217 PolarHBondContact O-N 3.01Å; S215-R217 PolarHBondContact O-N 3.41Å; R217-R220 PolarHBondContact O-N 2.94Å; R217-S221 WeakPolarHBondContact O-CB 3.33Å; R217-S221 PolarHBondContact O-N 2.94Å; R217-S221 PolarHBondContact O-OG 3.44Å
218	T	87.3	Confident	84.3	Confident	68 Å²	68	68.4 Å²	68.4	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-49.1	177.8	-53.3	0	0	0	0	110.2	V214 S215 E216 R220 S221 M222	V214-T218 PolarHBondContact O-N 3.49Å; V214-T218 PolarHBondContact O-OG1 2.65Å; S215-T218 PolarHBondContact O-N 3.21Å; E216-T218 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-N 3.09Å; T218-S221 VanDerWaalsContact O-N 3.08Å; T218-S221 PolarHBondContact O-OG 3.09Å; T218-M222 HydrophobicContact CG2-CE 4.12Å; T218-M222 HydrophobicContact CG2-SD 4.36Å; T218-M222 WeakPolarHBondContact O-CG 3.25Å; T218-M222 PolarHBondContact O-N 3.39Å; T218-M222 VanDerWaalsContact O-N 3.11Å
219	A	86.7	Confident	85.5	Confident	48 Å²	48	68.3 Å²	68.3	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-56.2	-49.3	176.3	0	0	0	0	0	112.3	S215 E216 S221 M222 D223	S215-A219 PolarHBondContact O-N 2.98Å; E216-A219 PolarHBondContact O-N 3.21Å; A219-S221 PolarHBondContact O-N 3.45Å; A219-M222 PolarHBondContact O-N 3.08Å; A219-M222 VanDerWaalsContact O-N 3.17Å; A219-D223 PolarHBondContact O-N 2.82Å
220	R	86.8	Confident	86.9	Confident	77 Å²	77	64.6 Å²	64.6	29%	0.291	36%	0.36	S	S	.	.	H	α-helix	trans	-67	-16.2	177.6	-71.9	178.7	-176.7	-179.2	0.5	114.5	A207 L209 E216 R217 T218 D223 L224 F226	A207-R220 HydrophobicContact CB-CB 4.04Å; L209-R220 PolarHBondContact O-NH1 3.38Å; E216-R220 WeakPolarHBondContact O-CB 3.42Å; E216-R220 VanDerWaalsContact O-CG 3.28Å; E216-R220 WeakPolarHBondContact O-CG 3.38Å; E216-R220 PolarHBondContact O-N 2.94Å; R217-R220 PolarHBondContact O-N 2.94Å; T218-R220 PolarHBondContact O-N 3.14Å; R220-D223 CarbonylContact C-O 3.53Å; R220-L224 WeakPolarHBondContact O-CD2 3.41Å; R220-F226 HydrophobicContact CB-CD1 3.82Å; R220-F226 HydrophobicContact CB-CE1 4Å; R220-F226 HydrophobicContact CG-CD1 3.8Å; R220-F226 HydrophobicContact CG-CE1 4.26Å; R220-F226 HydrophobicContact CG-CG 4.22Å
221	S	85.1	Confident	88.4	Confident	67 Å²	67	62 Å²	62	47%	0.469	33%	0.333	S	S	.	.	H	α-helix	trans	-88.4	-26.5	175.1	75.6	0	0	0	0	112.7	R217 T218 A219	R217-S221 WeakPolarHBondContact O-CB 3.33Å; R217-S221 PolarHBondContact O-N 2.94Å; R217-S221 PolarHBondContact O-OG 3.44Å; T218-S221 PolarHBondContact O-N 3.09Å; T218-S221 VanDerWaalsContact O-N 3.08Å; T218-S221 PolarHBondContact O-OG 3.09Å; A219-S221 PolarHBondContact O-N 3.45Å
222	M	86.7	Confident	89.5	Confident	128 Å²	128	53 Å²	53	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-84	-45.5	176.7	-65.6	-176	-59.8	0	0	111.2	T218 A219	T218-M222 HydrophobicContact CG2-CE 4.12Å; T218-M222 HydrophobicContact CG2-SD 4.36Å; T218-M222 WeakPolarHBondContact O-CG 3.25Å; T218-M222 PolarHBondContact O-N 3.39Å; T218-M222 VanDerWaalsContact O-N 3.11Å; A219-M222 PolarHBondContact O-N 3.08Å; A219-M222 VanDerWaalsContact O-N 3.17Å
223	D	92.2	Very high	90.4	Very high	26 Å²	26	56.3 Å²	56.3	14%	0.139	32%	0.32	C	S	.	.			trans	-111.2	115.4	174.4	-169.4	-64.4	0	0	0	110.6	A219 R220 G225 E275 D276	A219-D223 PolarHBondContact O-N 2.82Å; R220-D223 CarbonylContact C-O 3.53Å; D223-G225 VanDerWaalsContact C-N 3.29Å; D223-G225 WeakPolarHBondContact OD1-CA 3.48Å; D223-G225 PolarHBondContact OD1-N 2.87Å; D223-E275 WeakPolarHBondContact OD2-CA 3.37Å; D223-E275 WeakPolarHBondContact OD2-CB 3.26Å; D223-E275 PolarHBondContact OD2-N 3.49Å; D223-D276 PolarHBondContact OD2-N 2.93Å
224	L	93.9	Very high	90.9	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.11	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11	-178.7	-55.7	-179.3	0	0	0	112.3	R220 F226 A227 L228 R269 I270 N273 C274	R220-L224 WeakPolarHBondContact O-CD2 3.41Å; L224-F226 PolarHBondContact O-N 2.76Å; L224-A227 CarbonylContact O-C 3.54Å; L224-A227 WeakPolarHBondContact O-CA 3.33Å; L224-A227 WeakPolarHBondContact O-CB 3.48Å; L224-A227 PolarHBondContact O-N 2.7Å; L224-L228 PolarHBondContact O-N 3.42Å; L224-R269 HydrophobicContact CD1-CG 4.38Å; L224-I270 HydrophobicContact CB-CD1 4.02Å; L224-I270 HydrophobicContact CD1-CD1 3.72Å; L224-I270 HydrophobicContact CG-CD1 4.36Å; L224-N273 HydrophobicContact CB-CB 4.43Å; L224-N273 WeakPolarHBondContact CB-O 3.42Å; L224-N273 HydrophobicContact CD1-CB 3.8Å; L224-N273 HydrophobicContact CG-CB 3.96Å; L224-N273 PolarHBondContact N-O 2.9Å; L224-C274 PolarHBondContact O-SG 3.2Å
225	G	93.1	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-30.3	176.9	0	0	0	0	0	112.3	D223 R229 C274	D223-G225 VanDerWaalsContact C-N 3.29Å; D223-G225 WeakPolarHBondContact OD1-CA 3.48Å; D223-G225 PolarHBondContact OD1-N 2.87Å; G225-R229 WeakPolarHBondContact O-CB 3.43Å; G225-R229 VanDerWaalsContact O-CG 3.32Å; G225-R229 WeakPolarHBondContact O-CG 3.38Å; G225-R229 PolarHBondContact O-N 2.92Å; G225-R229 PolarHBondContact O-NH1 3.2Å; G225-C274 VanDerWaalsContact CA-SG 3.59Å; G225-C274 PolarHBondContact N-SG 2.91Å
226	F	89.8	Confident	91.8	Very high	56 Å²	56	54.6 Å²	54.6	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-45.6	170	114.2	-93.3	0	0	0	111.1	P205 S206 A207 R220 L224 R229 G230	P205-F226 HydrophobicContact CB-CE2 3.65Å; P205-F226 HydrophobicContact CB-CZ 3.79Å; P205-F226 WeakPolarHBondContact O-CZ 3.37Å; S206-F226 WeakPolarHBondContact O-CZ 3.27Å; A207-F226 HydrophobicContact CB-CE1 4.46Å; R220-F226 HydrophobicContact CB-CD1 3.82Å; R220-F226 HydrophobicContact CB-CE1 4Å; R220-F226 HydrophobicContact CG-CD1 3.8Å; R220-F226 HydrophobicContact CG-CE1 4.26Å; R220-F226 HydrophobicContact CG-CG 4.22Å; L224-F226 PolarHBondContact O-N 2.76Å; F226-R229 PolarHBondContact O-N 2.68Å; F226-G230 PolarHBondContact O-N 3.11Å
227	A	93.5	Very high	92.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-43.6	-178.9	0	0	0	0	0	110.2	I204 L224 R229 G230 M231 I270	I204-A227 HydrophobicContact CG2-CB 4.18Å; L224-A227 CarbonylContact O-C 3.54Å; L224-A227 WeakPolarHBondContact O-CA 3.33Å; L224-A227 WeakPolarHBondContact O-CB 3.48Å; L224-A227 PolarHBondContact O-N 2.7Å; A227-R229 PolarHBondContact O-N 3.29Å; A227-G230 PolarHBondContact O-N 3.21Å; A227-G230 VanDerWaalsContact O-N 3.16Å; A227-M231 VanDerWaalsContact O-CG 3.3Å; A227-M231 WeakPolarHBondContact O-CG 3.47Å; A227-M231 PolarHBondContact O-N 3.42Å; A227-I270 HydrophobicContact CB-CD1 4.26Å
228	L	95.9	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-51	174.6	178.1	58.4	0	0	0	111.1	L224 G230 M231 L232 L241 I270 F271 C274 A277 L281 F285	L224-L228 PolarHBondContact O-N 3.42Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.13Å; L228-M231 PolarHBondContact O-N 3.3Å; L228-L232 HydrophobicContact CD1-CD1 3.99Å; L228-L232 HydrophobicContact CD1-CG 4.05Å; L228-L232 HydrophobicContact CG-CD1 3.9Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 WeakPolarHBondContact O-CG 3.33Å; L228-L232 PolarHBondContact O-N 3.27Å; L228-L241 HydrophobicContact CD1-CD2 3.62Å; L228-I270 HydrophobicContact CB-CG2 3.77Å; L228-I270 HydrophobicContact CD1-CG2 4.07Å; L228-I270 HydrophobicContact CG-CG2 4.42Å; L228-F271 HydrophobicContact CD1-CE1 4.09Å; L228-F271 HydrophobicContact CD1-CE2 4.07Å; L228-F271 HydrophobicContact CD1-CZ 3.77Å; L228-F271 HydrophobicContact CD2-CE1 4.38Å; L228-C274 HydrophobicContact CD2-CB 4.23Å; L228-A277 HydrophobicContact CD2-CB 4.22Å; L228-L281 HydrophobicContact CD2-CD1 4.04Å; L228-L281 HydrophobicContact CG-CD1 4.43Å; L228-F285 HydrophobicContact CD2-CE2 4.28Å; L228-F285 HydrophobicContact CD2-CZ 3.88Å
229	R	94.9	Very high	93.2	Very high	85 Å²	85	56.3 Å²	56.3	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-40.5	177.5	-71.7	-179	-167.5	96.4	-6.1	112.1	G225 F226 A227 L232 A233 E280	G225-R229 WeakPolarHBondContact O-CB 3.43Å; G225-R229 VanDerWaalsContact O-CG 3.32Å; G225-R229 WeakPolarHBondContact O-CG 3.38Å; G225-R229 PolarHBondContact O-N 2.92Å; G225-R229 PolarHBondContact O-NH1 3.2Å; F226-R229 PolarHBondContact O-N 2.68Å; A227-R229 PolarHBondContact O-N 3.29Å; R229-L232 PolarHBondContact O-N 3.14Å; R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 3.27Å; R229-E280 IonicContact CZ-OE2 3.31Å; R229-E280 VanDerWaalsContact CZ-OE2 3.31Å; R229-E280 IonicContact NE-OE2 2.92Å; R229-E280 PolarHBondContact NE-OE2 2.81Å; R229-E280 IonicContact NH2-OE2 2.81Å; R229-E280 PolarHBondContact NH2-OE2 3.26Å
230	G	93.9	Very high	93.7	Very high	28 Å²	28	54.6 Å²	54.6	29%	0.289	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175.1	0	0	0	0	0	112.8	F226 A227 L228 A233	F226-G230 PolarHBondContact O-N 3.11Å; A227-G230 PolarHBondContact O-N 3.21Å; A227-G230 VanDerWaalsContact O-N 3.16Å; L228-G230 VanDerWaalsContact C-N 3.31Å; L228-G230 PolarHBondContact O-N 3.13Å; G230-A233 PolarHBondContact O-N 2.76Å
231	M	96.4	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-45	175.2	-65.4	176.9	84.7	0	0	111.4	T202 I204 A227 L228 A233 T234 L241 L267 I270	T202-M231 HydrophobicContact CG2-CB 4.06Å; T202-M231 HydrophobicContact CG2-CE 3.95Å; T202-M231 HydrophobicContact CG2-CG 4.05Å; I204-M231 HydrophobicContact CD1-CE 4Å; I204-M231 HydrophobicContact CD1-SD 3.88Å; I204-M231 HydrophobicContact CG1-CE 3.91Å; I204-M231 HydrophobicContact CG1-SD 4Å; A227-M231 VanDerWaalsContact O-CG 3.3Å; A227-M231 WeakPolarHBondContact O-CG 3.47Å; A227-M231 PolarHBondContact O-N 3.42Å; L228-M231 PolarHBondContact O-N 3.3Å; M231-A233 VanDerWaalsContact C-N 3.28Å; M231-A233 PolarHBondContact O-N 3.33Å; M231-T234 WeakPolarHBondContact O-CB 3.03Å; M231-T234 PolarHBondContact O-N 3.47Å; M231-T234 VanDerWaalsContact O-N 3.1Å; M231-T234 PolarHBondContact O-OG1 2.84Å; M231-L241 HydrophobicContact CB-CD1 4.34Å; M231-L241 HydrophobicContact CB-CD2 4.09Å; M231-L241 HydrophobicContact CE-CD1 3.97Å; M231-L267 HydrophobicContact CE-CD2 3.51Å; M231-I270 HydrophobicContact SD-CG1 4.23Å
232	L	96.8	Very high	94.9	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-35.8	178.6	-69	172.6	0	0	0	112.4	L228 R229 T234 Y235 P238 L241 L281 L284	L228-L232 HydrophobicContact CD1-CD1 3.99Å; L228-L232 HydrophobicContact CD1-CG 4.05Å; L228-L232 HydrophobicContact CG-CD1 3.9Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 WeakPolarHBondContact O-CG 3.33Å; L228-L232 PolarHBondContact O-N 3.27Å; R229-L232 PolarHBondContact O-N 3.14Å; L232-T234 PolarHBondContact O-N 2.97Å; L232-T234 VanDerWaalsContact O-N 3.17Å; L232-Y235 PolarHBondContact O-N 3.43Å; L232-P238 HydrophobicContact CD2-CB 4Å; L232-P238 WeakPolarHBondContact CD2-O 3.25Å; L232-L241 HydrophobicContact CD2-CB 3.86Å; L232-L241 HydrophobicContact CD2-CD2 3.61Å; L232-L241 HydrophobicContact CD2-CG 4.39Å; L232-L241 HydrophobicContact CG-CD2 4.04Å; L232-L281 HydrophobicContact CD1-CD1 3.58Å; L232-L284 HydrophobicContact CD1-CD2 3.8Å; L232-L284 HydrophobicContact CD2-CD2 3.84Å; L232-L284 HydrophobicContact CG-CD2 4.46Å
233	A	95.5	Very high	95.4	Very high	85 Å²	85	41.7 Å²	41.7	70%	0.702	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.6	177.5	0	0	0	0	0	113.5	R229 G230 M231 Y235	R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 3.27Å; G230-A233 PolarHBondContact O-N 2.76Å; M231-A233 VanDerWaalsContact C-N 3.28Å; M231-A233 PolarHBondContact O-N 3.33Å; A233-Y235 VanDerWaalsContact C-N 3.28Å
234	T	95.6	Very high	95.8	Very high	64 Å²	64	40.4 Å²	40.4	39%	0.393	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.4	175.6	75.1	0	0	0	0	112.9	R143 T202 M231 L232	R143-T234 PolarHBondContact NH1-O 3.36Å; R143-T234 VanDerWaalsContact NH2-CB 3.32Å; R143-T234 PolarHBondContact NH2-O 3.33Å; R143-T234 PolarHBondContact NH2-OG1 3.37Å; T202-T234 HydrophobicContact CG2-CG2 4.43Å; M231-T234 WeakPolarHBondContact O-CB 3.03Å; M231-T234 PolarHBondContact O-N 3.47Å; M231-T234 VanDerWaalsContact O-N 3.1Å; M231-T234 PolarHBondContact O-OG1 2.84Å; L232-T234 PolarHBondContact O-N 2.97Å; L232-T234 VanDerWaalsContact O-N 3.17Å
235	Y	96.3	Very high	96	Very high	16 Å²	16	39.4 Å²	39.4	6%	0.063	21%	0.206	C	C	.	.	S	Bend	trans	-108.3	146.1	-175.8	-78.8	-72.3	0	0	0	111.7	L140 R143 T202 L232 A233 R237 Q240 L241 E244	L140-Y235 HydrophobicContact CD1-CE1 3.62Å; R143-Y235 VanDerWaalsContact NE-CE1 3.3Å; T202-Y235 VanDerWaalsContact OG1-CE2 3.29Å; T202-Y235 WeakPolarHBondContact OG1-CE2 3.42Å; T202-Y235 PolarHBondContact OG1-OH 3.08Å; L232-Y235 PolarHBondContact O-N 3.43Å; A233-Y235 VanDerWaalsContact C-N 3.28Å; Y235-R237 VanDerWaalsContact C-N 3.33Å; Y235-Q240 HydrophobicContact CD1-CB 3.29Å; Y235-Q240 HydrophobicContact CD1-CG 4.24Å; Y235-Q240 HydrophobicContact CE1-CB 3.73Å; Y235-Q240 HydrophobicContact CG-CB 3.84Å; Y235-L241 HydrophobicContact CD2-CB 4.14Å; Y235-L241 HydrophobicContact CE2-CB 4.17Å; Y235-L241 HydrophobicContact CE2-CD1 3.93Å; Y235-E244 PolarHBondContact OH-OE2 3.27Å
236	E	95	Very high	96.2	Very high	172 Å²	172	39.4 Å²	39.4	80%	0.804	21%	0.206	S	C	*	.	S	Bend	trans	-67.8	-37.4	173.9	-63.5	-176.5	166.8	0	0	111.4
237	R	95.5	Very high	96.6	Very high	125 Å²	125	36.8 Å²	36.8	47%	0.472	19%	0.194	S	C	.	.	S	Bend	trans	-125	129.2	178.3	-70	175.8	-69.2	151.4	5.8	109.7	D137 Y235 K239 Q240	D137-R237 IonicContact OD2-CZ 3.04Å; D137-R237 IonicContact OD2-NH1 3.05Å; D137-R237 IonicContact OD2-NH2 3.65Å; D137-R237 PolarHBondContact OD2-NH2 3Å; Y235-R237 VanDerWaalsContact C-N 3.33Å; R237-K239 PolarHBondContact O-N 2.72Å; R237-Q240 HydrophobicContact CB-CG 4.2Å; R237-Q240 VanDerWaalsContact O-CB 3.29Å; R237-Q240 WeakPolarHBondContact O-CB 3.19Å; R237-Q240 PolarHBondContact O-N 2.77Å
238	P	95.6	Very high	96.9	Very high	70 Å²	70	36.7 Å²	36.7	46%	0.455	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.4	-179.6	-31.7	36.7	0	0	0	114.7	L232 Q240 L241 L284	L232-P238 HydrophobicContact CD2-CB 4Å; L232-P238 WeakPolarHBondContact CD2-O 3.25Å; P238-Q240 PolarHBondContact O-N 2.56Å; P238-L241 PolarHBondContact O-N 3.3Å; P238-L284 HydrophobicContact CB-CD1 4.22Å
239	K	97.4	Very high	96.9	Very high	98 Å²	98	36.8 Å²	36.8	43%	0.426	19%	0.194	S	C	.	.	H	α-helix	trans	-66	-17	178.6	-67	-169.4	178	-164.6	0	113.9	L135 R237 L241 L242 G243 L284 E287	L135-K239 HydrophobicContact CD2-CB 4.38Å; L135-K239 HydrophobicContact CD2-CD 4.49Å; R237-K239 PolarHBondContact O-N 2.72Å; K239-L241 VanDerWaalsContact C-N 3.25Å; K239-L241 PolarHBondContact O-N 3.01Å; K239-L242 WeakPolarHBondContact O-CB 3.28Å; K239-L242 PolarHBondContact O-N 3Å; K239-L242 VanDerWaalsContact O-N 3.11Å; K239-G243 PolarHBondContact O-N 3.33Å; K239-L284 HydrophobicContact CG-CD1 4.29Å; K239-E287 HydrophobicContact CD-CG 4.38Å; K239-E287 IonicContact NZ-OE2 3.44Å; K239-E287 PolarHBondContact NZ-OE2 2.93Å
240	Q	97.8	Very high	97	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-29	176	-71	176.1	-61.5	0	0	112.2	L140 Y235 R237 P238 L242 G243 E244	L140-Q240 HydrophobicContact CD1-CB 4.28Å; Y235-Q240 HydrophobicContact CD1-CB 3.29Å; Y235-Q240 HydrophobicContact CD1-CG 4.24Å; Y235-Q240 HydrophobicContact CE1-CB 3.73Å; Y235-Q240 HydrophobicContact CG-CB 3.84Å; R237-Q240 HydrophobicContact CB-CG 4.2Å; R237-Q240 VanDerWaalsContact O-CB 3.29Å; R237-Q240 WeakPolarHBondContact O-CB 3.19Å; R237-Q240 PolarHBondContact O-N 2.77Å; P238-Q240 PolarHBondContact O-N 2.56Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 3.42Å; Q240-G243 CarbonylContact O-C 3.16Å; Q240-G243 WeakPolarHBondContact O-CA 3.29Å; Q240-G243 PolarHBondContact O-N 2.8Å; Q240-E244 PolarHBondContact O-N 3.26Å
241	L	98.2	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-35.8	171.9	-176.8	62.5	0	0	0	111.8	L228 M231 L232 Y235 P238 K239 G243 E244 L245 L267 F271	L228-L241 HydrophobicContact CD1-CD2 3.62Å; M231-L241 HydrophobicContact CB-CD1 4.34Å; M231-L241 HydrophobicContact CB-CD2 4.09Å; M231-L241 HydrophobicContact CE-CD1 3.97Å; L232-L241 HydrophobicContact CD2-CB 3.86Å; L232-L241 HydrophobicContact CD2-CD2 3.61Å; L232-L241 HydrophobicContact CD2-CG 4.39Å; L232-L241 HydrophobicContact CG-CD2 4.04Å; Y235-L241 HydrophobicContact CD2-CB 4.14Å; Y235-L241 HydrophobicContact CE2-CB 4.17Å; Y235-L241 HydrophobicContact CE2-CD1 3.93Å; P238-L241 PolarHBondContact O-N 3.3Å; K239-L241 VanDerWaalsContact C-N 3.25Å; K239-L241 PolarHBondContact O-N 3.01Å; L241-G243 VanDerWaalsContact C-N 3.32Å; L241-E244 WeakPolarHBondContact O-CB 3.38Å; L241-E244 PolarHBondContact O-N 3.3Å; L241-L245 PolarHBondContact O-N 2.92Å; L241-L267 HydrophobicContact CD1-CD2 3.68Å; L241-L267 HydrophobicContact CG-CD2 4.35Å; L241-F271 HydrophobicContact CD2-CE2 4.06Å; L241-F271 HydrophobicContact CD2-CZ 4.12Å; L241-F271 HydrophobicContact CG-CE2 4.36Å
242	L	98.6	Very high	97	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.9	-28	171.9	-61.9	-178.8	0	0	0	112.2	L135 K239 Q240 E244 L245 Q246 F271 L284 E287 F288 V291	L135-L242 HydrophobicContact CD1-CB 3.6Å; K239-L242 WeakPolarHBondContact O-CB 3.28Å; K239-L242 PolarHBondContact O-N 3Å; K239-L242 VanDerWaalsContact O-N 3.11Å; Q240-L242 VanDerWaalsContact C-N 3.28Å; Q240-L242 PolarHBondContact O-N 3.42Å; L242-E244 VanDerWaalsContact C-N 3.35Å; L242-L245 HydrophobicContact CD2-CD2 4.42Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 2.94Å; L242-Q246 PolarHBondContact O-N 3.04Å; L242-F271 HydrophobicContact CD2-CE1 3.99Å; L242-F271 HydrophobicContact CD2-CE2 3.78Å; L242-F271 HydrophobicContact CD2-CZ 3.44Å; L242-F271 VanDerWaalsContact CD2-CZ 3.44Å; L242-F271 HydrophobicContact CG-CZ 4.31Å; L242-L284 HydrophobicContact CD1-CD1 3.63Å; L242-L284 HydrophobicContact CD1-CG 4.28Å; L242-L284 HydrophobicContact CG-CD1 3.97Å; L242-E287 HydrophobicContact CD1-CB 3.56Å; L242-E287 HydrophobicContact CD1-CG 3.59Å; L242-F288 HydrophobicContact CD1-CB 4.42Å; L242-F288 HydrophobicContact CD2-CB 3.85Å; L242-F288 HydrophobicContact CD2-CD2 3.95Å; L242-F288 HydrophobicContact CD2-CG 4.39Å; L242-V291 HydrophobicContact CB-CG2 4.44Å
243	G	98.6	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-38.8	166.5	0	0	0	0	0	112	L140 K239 Q240 L241 L245 Q246 F247	L140-G243 VanDerWaalsContact CD2-CA 3.47Å; K239-G243 PolarHBondContact O-N 3.33Å; Q240-G243 CarbonylContact O-C 3.16Å; Q240-G243 WeakPolarHBondContact O-CA 3.29Å; Q240-G243 PolarHBondContact O-N 2.8Å; L241-G243 VanDerWaalsContact C-N 3.32Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3Å; G243-Q246 WeakPolarHBondContact O-CB 3.28Å; G243-Q246 PolarHBondContact O-N 3.4Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-F247 WeakPolarHBondContact O-CB 3.36Å; G243-F247 PolarHBondContact O-N 3.25Å
244	E	98.6	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-40.2	173.4	-174.4	-178.3	150	0	0	110.7	L144 F201 T202 Y235 Q240 L241 L242 Q246 F247 A248 Q263 L267	L144-E244 HydrophobicContact CD1-CB 4.01Å; L144-E244 HydrophobicContact CD1-CG 3.89Å; L144-E244 HydrophobicContact CD2-CG 3.92Å; F201-E244 HydrophobicContact CD1-CG 3.91Å; F201-E244 HydrophobicContact CE1-CG 4.41Å; T202-E244 VanDerWaalsContact CB-OE2 3.24Å; T202-E244 WeakPolarHBondContact CB-OE2 3.37Å; T202-E244 PolarHBondContact N-OE1 3.41Å; T202-E244 PolarHBondContact N-OE2 2.89Å; T202-E244 PolarHBondContact OG1-OE2 3.4Å; Y235-E244 PolarHBondContact OH-OE2 3.27Å; Q240-E244 PolarHBondContact O-N 3.26Å; L241-E244 WeakPolarHBondContact O-CB 3.38Å; L241-E244 PolarHBondContact O-N 3.3Å; L242-E244 VanDerWaalsContact C-N 3.35Å; E244-Q246 VanDerWaalsContact C-N 3.3Å; E244-Q246 PolarHBondContact O-N 3.5Å; E244-F247 WeakPolarHBondContact O-CB 3.44Å; E244-F247 PolarHBondContact O-N 3.02Å; E244-A248 WeakPolarHBondContact O-CB 3.41Å; E244-A248 PolarHBondContact O-N 2.96Å; E244-Q263 PolarHBondContact OE1-NE2 3.44Å; E244-L267 HydrophobicContact CB-CD1 4.44Å; E244-L267 HydrophobicContact CG-CD1 4.14Å
245	L	98.6	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-40.6	172	178.9	68.6	0	0	0	112.2	L241 L242 G243 Y249 W264 L267 I268 F288 V291 Q295	L241-L245 PolarHBondContact O-N 2.92Å; L242-L245 HydrophobicContact CD2-CD2 4.42Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 2.94Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3Å; L245-Y249 WeakPolarHBondContact O-CB 3.45Å; L245-Y249 PolarHBondContact O-N 3.16Å; L245-Y249 VanDerWaalsContact O-N 3.14Å; L245-W264 VanDerWaalsContact CD1-CD1 3.42Å; L245-W264 HydrophobicContact CD1-CG 4.27Å; L245-L267 HydrophobicContact CB-CD1 4Å; L245-L267 HydrophobicContact CD1-CB 3.78Å; L245-L267 HydrophobicContact CD1-CD1 4.26Å; L245-I268 HydrophobicContact CD1-CG1 4.01Å; L245-F288 HydrophobicContact CD2-CD2 3.76Å; L245-F288 HydrophobicContact CD2-CE2 3.76Å; L245-V291 HydrophobicContact CD2-CG1 3.91Å; L245-V291 HydrophobicContact CG-CG1 4.36Å; L245-Q295 PolarHBondContact O-NE2 3.4Å
246	Q	98.4	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.4	-45.3	173.6	-75.3	-173.2	-27.2	0	0	112	L132 Y134 L135 I136 L242 G243 E244 Y249 I250 V291	L132-Q246 VanDerWaalsContact O-CB 3.28Å; L132-Q246 WeakPolarHBondContact O-CB 3.49Å; L132-Q246 WeakPolarHBondContact O-CG 3.43Å; L132-Q246 PolarHBondContact O-NE2 2.81Å; L132-Q246 PolarHBondContact O-OE1 3.04Å; Y134-Q246 VanDerWaalsContact CD1-NE2 3.33Å; L135-Q246 VanDerWaalsContact CB-OE1 3.26Å; I136-Q246 HydrophobicContact CD1-CB 3.86Å; I136-Q246 HydrophobicContact CG1-CB 3.86Å; L242-Q246 PolarHBondContact O-N 3.04Å; G243-Q246 WeakPolarHBondContact O-CB 3.28Å; G243-Q246 PolarHBondContact O-N 3.4Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; E244-Q246 VanDerWaalsContact C-N 3.3Å; E244-Q246 PolarHBondContact O-N 3.5Å; Q246-Y249 WeakPolarHBondContact O-CB 3.39Å; Q246-Y249 PolarHBondContact O-N 3.34Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.42Å; Q246-V291 HydrophobicContact CG-CG1 3.67Å; Q246-V291 HydrophobicContact CG-CG2 4.44Å
247	F	98.6	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-50	178.7	-173.3	-79.4	0	0	0	111.1	F78 I136 L144 I151 I199 F201 G243 E244 Y249 I250 C251	F78-F247 HydrophobicContact CB-CE2 4.29Å; F78-F247 HydrophobicContact CD1-CD2 4.45Å; F78-F247 HydrophobicContact CD1-CE2 4.37Å; F78-F247 AromaticContact CD2-CD2 3.87Å; F78-F247 HydrophobicContact CD2-CD2 3.87Å; F78-F247 HydrophobicContact CD2-CE1 4.33Å; F78-F247 AromaticContact CD2-CE2 3.18Å; F78-F247 HydrophobicContact CD2-CE2 3.18Å; F78-F247 AromaticContact CD2-CZ 3.47Å; F78-F247 HydrophobicContact CD2-CZ 3.47Å; F78-F247 VanDerWaalsContact CD2-CZ 3.47Å; F78-F247 HydrophobicContact CE1-CD2 4.31Å; F78-F247 HydrophobicContact CE2-CD1 4.25Å; F78-F247 AromaticContact CE2-CD2 3.73Å; F78-F247 HydrophobicContact CE2-CD2 3.73Å; F78-F247 AromaticContact CE2-CE1 3.97Å; F78-F247 HydrophobicContact CE2-CE1 3.97Å; F78-F247 AromaticContact CE2-CE2 3.41Å; F78-F247 HydrophobicContact CE2-CE2 3.41Å; F78-F247 VanDerWaalsContact CE2-CE2 3.41Å; F78-F247 HydrophobicContact CE2-CG 4.15Å; F78-F247 AromaticContact CE2-CZ 3.55Å; F78-F247 HydrophobicContact CE2-CZ 3.55Å; F78-F247 HydrophobicContact CG-CD2 4.21Å; F78-F247 AromaticContact CG-CE2 3.7Å; F78-F247 HydrophobicContact CG-CE2 3.7Å; F78-F247 HydrophobicContact CG-CZ 4.4Å; F78-F247 AromaticContact CZ-CD2 3.93Å; F78-F247 HydrophobicContact CZ-CD2 3.93Å; F78-F247 HydrophobicContact CZ-CE2 4.08Å; F78-F247 HydrophobicContact CZ-CG 4.25Å; I136-F247 HydrophobicContact CD1-CB 4.19Å; I136-F247 HydrophobicContact CG2-CD2 4.3Å; L144-F247 HydrophobicContact CB-CD1 4.38Å; L144-F247 HydrophobicContact CB-CD2 4.45Å; L144-F247 HydrophobicContact CB-CE1 4.1Å; L144-F247 HydrophobicContact CB-CE2 4.16Å; L144-F247 HydrophobicContact CB-CZ 3.97Å; L144-F247 HydrophobicContact CD1-CB 3.82Å; L144-F247 HydrophobicContact CD1-CD1 4.01Å; L144-F247 HydrophobicContact CD1-CD2 3.95Å; L144-F247 HydrophobicContact CD1-CE2 4.48Å; L144-F247 HydrophobicContact CD1-CG 3.67Å; I151-F247 HydrophobicContact CD1-CE1 4.09Å; I151-F247 HydrophobicContact CD1-CZ 3.72Å; I199-F247 HydrophobicContact CG2-CE1 3.8Å; F201-F247 AromaticContact CE1-CD1 3.95Å; F201-F247 HydrophobicContact CE1-CD1 3.95Å; F201-F247 HydrophobicContact CE1-CE1 4.4Å; F201-F247 HydrophobicContact CZ-CD1 4.45Å; G243-F247 WeakPolarHBondContact O-CB 3.36Å; G243-F247 PolarHBondContact O-N 3.25Å; E244-F247 WeakPolarHBondContact O-CB 3.44Å; E244-F247 PolarHBondContact O-N 3.02Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; F247-Y249 PolarHBondContact O-N 3.2Å; F247-I250 PolarHBondContact O-N 3.1Å; F247-C251 WeakPolarHBondContact CE1-SG 3.31Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 3.49Å
248	A	97.8	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58	-44.9	176.9	0	0	0	0	0	111.4	F201 E244 I250 C251 F252 A260 Q263 W264	F201-A248 HydrophobicContact CE1-CB 3.85Å; F201-A248 HydrophobicContact CZ-CB 3.99Å; E244-A248 WeakPolarHBondContact O-CB 3.41Å; E244-A248 PolarHBondContact O-N 2.96Å; A248-I250 PolarHBondContact O-N 3.38Å; A248-C251 PolarHBondContact O-N 3.3Å; A248-F252 WeakPolarHBondContact O-CB 3.48Å; A248-F252 PolarHBondContact O-N 3.42Å; A248-A260 WeakPolarHBondContact O-CB 3.41Å; A248-Q263 HydrophobicContact CB-CB 4.34Å; A248-Q263 HydrophobicContact CB-CG 4.39Å; A248-W264 HydrophobicContact CB-CB 4.1Å
249	Y	96.8	Very high	95.9	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-41.9	176.3	178.1	-100	0	0	0	113	L132 L245 Q246 F247 F252 L253 W264 Q295 T299	L132-Y249 HydrophobicContact CD1-CE1 4.34Å; L132-Y249 HydrophobicContact CD2-CE1 4Å; L245-Y249 WeakPolarHBondContact O-CB 3.45Å; L245-Y249 PolarHBondContact O-N 3.16Å; L245-Y249 VanDerWaalsContact O-N 3.14Å; Q246-Y249 WeakPolarHBondContact O-CB 3.39Å; Q246-Y249 PolarHBondContact O-N 3.34Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; F247-Y249 PolarHBondContact O-N 3.2Å; Y249-F252 PolarHBondContact O-N 3.36Å; Y249-L253 HydrophobicContact CE1-CD2 3.76Å; Y249-L253 HydrophobicContact CE2-CD2 4.31Å; Y249-L253 VanDerWaalsContact O-CB 3.28Å; Y249-L253 WeakPolarHBondContact O-CB 3.2Å; Y249-L253 PolarHBondContact O-N 2.96Å; Y249-L253 VanDerWaalsContact OH-CD2 3.25Å; Y249-L253 WeakPolarHBondContact OH-CD2 3.4Å; Y249-W264 AromaticContact CD2-CE2 3.92Å; Y249-W264 HydrophobicContact CD2-CZ2 4.27Å; Y249-W264 AromaticContact CD2-NE1 3.68Å; Y249-Q295 VanDerWaalsContact CB-NE2 3.29Å; Y249-Q295 HydrophobicContact CD1-CB 4.4Å; Y249-Q295 HydrophobicContact CD1-CG 3.75Å; Y249-Q295 HydrophobicContact CD2-CB 4.09Å; Y249-Q295 HydrophobicContact CD2-CG 4Å; Y249-Q295 HydrophobicContact CE1-CB 4.14Å; Y249-Q295 HydrophobicContact CE1-CG 3.91Å; Y249-Q295 HydrophobicContact CE2-CB 3.82Å; Y249-Q295 HydrophobicContact CE2-CG 4.15Å; Y249-Q295 HydrophobicContact CG-CB 4.36Å; Y249-Q295 HydrophobicContact CG-CG 3.78Å; Y249-Q295 PolarHBondContact OH-O 3.42Å; Y249-T299 PolarHBondContact OH-OG1 2.82Å
250	I	97.1	Very high	95.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71.2	-45.5	179.1	-65.2	-57.3	0	0	0	111.5	F59 F78 W129 L132 T133 Q246 F247 A248 F252 L253 V254 G255	F59-I250 HydrophobicContact CB-CG2 4.02Å; F59-I250 HydrophobicContact CG-CG2 4.16Å; F78-I250 HydrophobicContact CE1-CB 4.19Å; F78-I250 HydrophobicContact CE1-CG2 3.72Å; F78-I250 HydrophobicContact CZ-CB 3.79Å; F78-I250 HydrophobicContact CZ-CG2 3.46Å; F78-I250 VanDerWaalsContact CZ-CG2 3.46Å; W129-I250 HydrophobicContact CE3-CD1 4.41Å; W129-I250 HydrophobicContact CH2-CD1 4.04Å; W129-I250 HydrophobicContact CH2-CG1 4.31Å; W129-I250 HydrophobicContact CH2-CG2 3.58Å; W129-I250 HydrophobicContact CZ3-CD1 3.71Å; W129-I250 HydrophobicContact CZ3-CG1 4.48Å; W129-I250 HydrophobicContact CZ3-CG2 4.18Å; L132-I250 HydrophobicContact CB-CD1 4.2Å; L132-I250 HydrophobicContact CD1-CD1 4.43Å; T133-I250 HydrophobicContact CG2-CD1 4.34Å; T133-I250 HydrophobicContact CG2-CG1 4.07Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.42Å; F247-I250 PolarHBondContact O-N 3.1Å; A248-I250 PolarHBondContact O-N 3.38Å; I250-F252 PolarHBondContact O-N 3.44Å; I250-L253 PolarHBondContact O-N 2.83Å; I250-V254 HydrophobicContact CG2-CB 4.35Å; I250-V254 HydrophobicContact CG2-CG2 4.31Å; I250-V254 WeakPolarHBondContact O-CA 3.26Å; I250-V254 WeakPolarHBondContact O-CB 3.41Å; I250-V254 PolarHBondContact O-N 3.09Å; I250-G255 PolarHBondContact O-N 2.89Å
251	C	96.5	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54	-43.4	172.6	-77.3	0	0	0	0	111.4	F78 I199 F247 A248 G255 H256 V257 A260	F78-C251 VanDerWaalsContact CE2-SG 3.56Å; I199-C251 HydrophobicContact CD1-CB 4.47Å; F247-C251 WeakPolarHBondContact CE1-SG 3.31Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 3.49Å; A248-C251 PolarHBondContact O-N 3.3Å; C251-G255 CarbonylContact O-C 3.58Å; C251-G255 WeakPolarHBondContact O-CA 3.29Å; C251-G255 PolarHBondContact O-N 2.9Å; C251-H256 PolarHBondContact O-N 3.47Å; C251-V257 HydrophobicContact CB-CB 4.3Å; C251-V257 HydrophobicContact CB-CG2 4.33Å; C251-V257 WeakPolarHBondContact O-CG2 3.43Å; C251-V257 PolarHBondContact O-N 3.4Å; C251-A260 HydrophobicContact CB-CB 3.31Å
252	F	93.6	Very high	95.3	Very high	28 Å²	28	22.2 Å²	22.2	12%	0.123	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-61.1	178.1	164	-120	0	0	0	111.5	A248 Y249 I250 H256 A260 F261 F303	A248-F252 WeakPolarHBondContact O-CB 3.48Å; A248-F252 PolarHBondContact O-N 3.42Å; Y249-F252 PolarHBondContact O-N 3.36Å; I250-F252 PolarHBondContact O-N 3.44Å; F252-H256 WeakPolarHBondContact O-CA 3.46Å; F252-H256 PolarHBondContact O-N 3.33Å; F252-A260 HydrophobicContact CB-CB 4.14Å; F252-F261 HydrophobicContact CB-CB 4.35Å; F252-F261 AromaticContact CD1-CD2 3.91Å; F252-F261 HydrophobicContact CD1-CD2 3.91Å; F252-F261 HydrophobicContact CD2-CB 3.47Å; F252-F261 VanDerWaalsContact CD2-CB 3.47Å; F252-F261 AromaticContact CD2-CD2 3.97Å; F252-F261 HydrophobicContact CD2-CD2 3.97Å; F252-F261 HydrophobicContact CD2-CG 4.04Å; F252-F261 AromaticContact CE1-CD2 3.86Å; F252-F261 HydrophobicContact CE1-CD2 3.86Å; F252-F261 HydrophobicContact CE1-CE2 4.36Å; F252-F261 HydrophobicContact CE2-CB 4.02Å; F252-F261 AromaticContact CE2-CD2 3.92Å; F252-F261 HydrophobicContact CE2-CD2 3.92Å; F252-F261 HydrophobicContact CE2-CG 4.13Å; F252-F261 HydrophobicContact CG-CB 3.83Å; F252-F261 HydrophobicContact CG-CD2 4Å; F252-F261 HydrophobicContact CG-CG 4.37Å; F252-F261 AromaticContact CZ-CD2 3.92Å; F252-F261 HydrophobicContact CZ-CD2 3.92Å; F252-F261 HydrophobicContact CZ-CE2 4.41Å; F252-F303 HydrophobicContact CE1-CE1 4.04Å; F252-F303 HydrophobicContact CE1-CE2 4.07Å; F252-F303 AromaticContact CE1-CZ 3.53Å; F252-F303 HydrophobicContact CE1-CZ 3.53Å; F252-F303 HydrophobicContact CE2-CE2 4.37Å; F252-F303 HydrophobicContact CE2-CZ 4.18Å; F252-F303 HydrophobicContact CZ-CE1 4.06Å; F252-F303 AromaticContact CZ-CE2 3.38Å; F252-F303 HydrophobicContact CZ-CE2 3.38Å; F252-F303 AromaticContact CZ-CZ 3.1Å; F252-F303 HydrophobicContact CZ-CZ 3.1Å
253	L	92.2	Very high	95.2	Very high	39 Å²	39	23.1 Å²	23.1	20%	0.204	11%	0.108	C	C	.	.	H	α-helix	trans	-73.5	-39.4	-169.1	-179.1	65.5	0	0	0	113	Y38 Y249 I250 H256	Y38-L253 HydrophobicContact CE1-CD2 3.8Å; Y38-L253 HydrophobicContact CE1-CG 4.39Å; Y38-L253 VanDerWaalsContact OH-CD2 3.29Å; Y38-L253 WeakPolarHBondContact OH-CD2 3.33Å; Y249-L253 HydrophobicContact CE1-CD2 3.76Å; Y249-L253 HydrophobicContact CE2-CD2 4.31Å; Y249-L253 VanDerWaalsContact O-CB 3.28Å; Y249-L253 WeakPolarHBondContact O-CB 3.2Å; Y249-L253 PolarHBondContact O-N 2.96Å; Y249-L253 VanDerWaalsContact OH-CD2 3.25Å; Y249-L253 WeakPolarHBondContact OH-CD2 3.4Å; I250-L253 PolarHBondContact O-N 2.83Å; L253-H256 PolarHBondContact O-CD2 3.11Å
254	V	93.4	Very high	95.1	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.036	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-45.1	-177.2	-175.6	0	0	0	0	110.7	D37 Y38 F59 F61 R74 W129 I250 H256	D37-V254 VanDerWaalsContact O-CG1 3.24Å; D37-V254 WeakPolarHBondContact O-CG1 3.33Å; Y38-V254 HydrophobicContact CD1-CG2 3.86Å; Y38-V254 HydrophobicContact CE1-CG2 3.64Å; F59-V254 HydrophobicContact CD1-CB 4.18Å; F59-V254 HydrophobicContact CD1-CG1 3.66Å; F59-V254 HydrophobicContact CE1-CB 4.44Å; F59-V254 HydrophobicContact CE1-CG1 4.03Å; F61-V254 HydrophobicContact CD1-CG1 3.91Å; F61-V254 HydrophobicContact CE1-CG1 3.41Å; F61-V254 VanDerWaalsContact CE1-CG1 3.41Å; F61-V254 HydrophobicContact CZ-CG1 4.17Å; R74-V254 WeakPolarHBondContact CD-O 3.43Å; R74-V254 PolarHBondContact NH1-O 2.62Å; W129-V254 HydrophobicContact CZ3-CG2 4.32Å; I250-V254 HydrophobicContact CG2-CB 4.35Å; I250-V254 HydrophobicContact CG2-CG2 4.31Å; I250-V254 WeakPolarHBondContact O-CA 3.26Å; I250-V254 WeakPolarHBondContact O-CB 3.41Å; I250-V254 PolarHBondContact O-N 3.09Å; V254-H256 VanDerWaalsContact C-N 3.28Å; V254-H256 PolarHBondContact O-N 3.19Å
255	G	93.7	Very high	94.8	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.5	179.3	0	0	0	0	0	114.1	A153 I250 C251 V257	A153-G255 WeakPolarHBondContact CB-O 3.42Å; I250-G255 PolarHBondContact O-N 2.89Å; C251-G255 CarbonylContact O-C 3.58Å; C251-G255 WeakPolarHBondContact O-CA 3.29Å; C251-G255 PolarHBondContact O-N 2.9Å; G255-V257 PolarHBondContact O-N 3.04Å
256	H	92.3	Very high	94.6	Very high	104 Å²	104	28.4 Å²	28.4	48%	0.481	13%	0.133	S	C	.	.			trans	56.6	32.3	-174.3	-57.4	177.3	0	0	0	112.9	R74 A153 C251 F252 L253 V254	R74-H256 PolarHBondContact NH1-CE1 3.06Å; R74-H256 PolarHBondContact NH1-NE2 3.25Å; A153-H256 HydrophobicContact CB-CB 3.98Å; C251-H256 PolarHBondContact O-N 3.47Å; F252-H256 WeakPolarHBondContact O-CA 3.46Å; F252-H256 PolarHBondContact O-N 3.33Å; L253-H256 PolarHBondContact O-CD2 3.11Å; V254-H256 VanDerWaalsContact C-N 3.28Å; V254-H256 PolarHBondContact O-N 3.19Å
257	V	93.3	Very high	94.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	13%	0.133	C	C	.	.			trans	-89.2	118.6	-178.6	-175	0	0	0	0	110	I151 I199 C251 G255 E259 A260 F261	I151-V257 HydrophobicContact CG2-CG2 3.5Å; I199-V257 HydrophobicContact CD1-CG1 4.11Å; C251-V257 HydrophobicContact CB-CB 4.3Å; C251-V257 HydrophobicContact CB-CG2 4.33Å; C251-V257 WeakPolarHBondContact O-CG2 3.43Å; C251-V257 PolarHBondContact O-N 3.4Å; G255-V257 PolarHBondContact O-N 3.04Å; V257-E259 HydrophobicContact CG1-CB 4.38Å; V257-E259 WeakPolarHBondContact CG1-OE2 3.48Å; V257-A260 HydrophobicContact CB-CB 3.95Å; V257-A260 HydrophobicContact CG1-CB 4.04Å; V257-A260 PolarHBondContact O-N 2.83Å; V257-F261 PolarHBondContact O-N 3.4Å
258	F	91	Very high	94.4	Very high	124 Å²	124	28.4 Å²	28.4	54%	0.544	13%	0.133	S	C	.	.	H	α-helix	trans	-71	-38.5	-177.4	-178	-101.6	0	0	0	112.7	A260 F261 E262	F258-A260 PolarHBondContact O-N 3.32Å; F258-F261 HydrophobicContact CD2-CD1 4.47Å; F258-F261 HydrophobicContact CE2-CD1 4.1Å; F258-F261 WeakPolarHBondContact O-CA 3.29Å; F258-F261 WeakPolarHBondContact O-CB 3.15Å; F258-F261 PolarHBondContact O-N 3.12Å; F258-E262 HydrophobicContact CD1-CG 4.4Å; F258-E262 HydrophobicContact CE1-CG 3.86Å; F258-E262 HydrophobicContact CZ-CG 4.16Å; F258-E262 VanDerWaalsContact CZ-OE1 3.25Å; F258-E262 WeakPolarHBondContact CZ-OE1 3.34Å; F258-E262 PolarHBondContact O-N 3.43Å; F258-E262 VanDerWaalsContact O-N 3.11Å
259	E	92.2	Very high	94.3	Very high	71 Å²	71	35.3 Å²	35.3	33%	0.332	16%	0.159	S	C	.	.	H	α-helix	trans	-60.7	-33.9	177.2	-64.4	68	-146.9	0	0	111.4	C155 V257 F261 E262 Q263	C155-E259 PolarHBondContact SG-OE1 3.21Å; V257-E259 HydrophobicContact CG1-CB 4.38Å; V257-E259 WeakPolarHBondContact CG1-OE2 3.48Å; E259-F261 VanDerWaalsContact C-N 3.31Å; E259-E262 PolarHBondContact O-N 3.26Å; E259-Q263 PolarHBondContact O-N 2.93Å
260	A	95.7	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-30.1	176	0	0	0	0	0	112.3	F201 A248 C251 F252 V257 F258 W264	F201-A260 HydrophobicContact CE2-CB 4.2Å; F201-A260 HydrophobicContact CZ-CB 3.89Å; A248-A260 WeakPolarHBondContact O-CB 3.41Å; C251-A260 HydrophobicContact CB-CB 3.31Å; F252-A260 HydrophobicContact CB-CB 4.14Å; V257-A260 HydrophobicContact CB-CB 3.95Å; V257-A260 HydrophobicContact CG1-CB 4.04Å; V257-A260 PolarHBondContact O-N 2.83Å; F258-A260 PolarHBondContact O-N 3.32Å; A260-W264 VanDerWaalsContact O-CB 3.27Å; A260-W264 WeakPolarHBondContact O-CB 3.35Å; A260-W264 PolarHBondContact O-N 3.1Å
261	F	92.8	Very high	94.2	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.044	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-47.4	169.8	-179.3	-120.1	0	0	0	110.7	F252 V257 F258 E259 Q263 W264 K265 F303 I307 F313	F252-F261 HydrophobicContact CB-CB 4.35Å; F252-F261 AromaticContact CD1-CD2 3.91Å; F252-F261 HydrophobicContact CD1-CD2 3.91Å; F252-F261 HydrophobicContact CD2-CB 3.47Å; F252-F261 VanDerWaalsContact CD2-CB 3.47Å; F252-F261 AromaticContact CD2-CD2 3.97Å; F252-F261 HydrophobicContact CD2-CD2 3.97Å; F252-F261 HydrophobicContact CD2-CG 4.04Å; F252-F261 AromaticContact CE1-CD2 3.86Å; F252-F261 HydrophobicContact CE1-CD2 3.86Å; F252-F261 HydrophobicContact CE1-CE2 4.36Å; F252-F261 HydrophobicContact CE2-CB 4.02Å; F252-F261 AromaticContact CE2-CD2 3.92Å; F252-F261 HydrophobicContact CE2-CD2 3.92Å; F252-F261 HydrophobicContact CE2-CG 4.13Å; F252-F261 HydrophobicContact CG-CB 3.83Å; F252-F261 HydrophobicContact CG-CD2 4Å; F252-F261 HydrophobicContact CG-CG 4.37Å; F252-F261 AromaticContact CZ-CD2 3.92Å; F252-F261 HydrophobicContact CZ-CD2 3.92Å; F252-F261 HydrophobicContact CZ-CE2 4.41Å; V257-F261 PolarHBondContact O-N 3.4Å; F258-F261 HydrophobicContact CD2-CD1 4.47Å; F258-F261 HydrophobicContact CE2-CD1 4.1Å; F258-F261 WeakPolarHBondContact O-CA 3.29Å; F258-F261 WeakPolarHBondContact O-CB 3.15Å; F258-F261 PolarHBondContact O-N 3.12Å; E259-F261 VanDerWaalsContact C-N 3.31Å; F261-Q263 PolarHBondContact O-N 2.87Å; F261-W264 AromaticContact CD2-CE3 3.95Å; F261-W264 HydrophobicContact CD2-CE3 3.95Å; F261-W264 HydrophobicContact CD2-CZ3 4.33Å; F261-W264 AromaticContact CE2-CE3 3.91Å; F261-W264 HydrophobicContact CE2-CE3 3.91Å; F261-W264 AromaticContact CE2-CZ3 3.86Å; F261-W264 HydrophobicContact CE2-CZ3 3.86Å; F261-W264 PolarHBondContact O-N 3.22Å; F261-K265 HydrophobicContact CD1-CD 4.17Å; F261-K265 HydrophobicContact CD2-CG 4.4Å; F261-K265 HydrophobicContact CE1-CD 3.59Å; F261-K265 HydrophobicContact CE1-CG 4.22Å; F261-K265 HydrophobicContact CE2-CD 4.24Å; F261-K265 HydrophobicContact CE2-CG 4.08Å; F261-K265 HydrophobicContact CZ-CD 3.63Å; F261-K265 HydrophobicContact CZ-CG 3.99Å; F261-K265 WeakPolarHBondContact O-CG 3.34Å; F261-K265 PolarHBondContact O-N 2.91Å; F261-F303 HydrophobicContact CE2-CE1 4.41Å; F261-F303 HydrophobicContact CE2-CZ 4.24Å; F261-I307 HydrophobicContact CE1-CG2 4.47Å; F261-I307 HydrophobicContact CZ-CG2 4.38Å; F261-F313 HydrophobicContact CZ-CE1 4.24Å
262	E	92.2	Very high	94.2	Very high	77 Å²	77	35.5 Å²	35.5	36%	0.36	16%	0.161	S	C	.	.	H	α-helix	trans	-58.8	-46.4	177.5	-68.4	-58	146	0	0	111.6	F258 E259 W264 K265 L266	F258-E262 HydrophobicContact CD1-CG 4.4Å; F258-E262 HydrophobicContact CE1-CG 3.86Å; F258-E262 HydrophobicContact CZ-CG 4.16Å; F258-E262 VanDerWaalsContact CZ-OE1 3.25Å; F258-E262 WeakPolarHBondContact CZ-OE1 3.34Å; F258-E262 PolarHBondContact O-N 3.43Å; F258-E262 VanDerWaalsContact O-N 3.11Å; E259-E262 PolarHBondContact O-N 3.26Å; E262-W264 VanDerWaalsContact C-N 3.35Å; E262-W264 PolarHBondContact O-N 2.97Å; E262-K265 PolarHBondContact O-N 2.9Å; E262-K265 WeakPolarHBondContact OE1-CE 3.35Å; E262-K265 IonicContact OE1-NZ 3.98Å; E262-K265 PolarHBondContact OE1-NZ 3.44Å; E262-K265 WeakPolarHBondContact OE2-CE 3.49Å; E262-K265 IonicContact OE2-NZ 2.72Å; E262-K265 PolarHBondContact OE2-NZ 2.85Å; E262-L266 VanDerWaalsContact O-CB 3.24Å; E262-L266 WeakPolarHBondContact O-CB 3.34Å; E262-L266 PolarHBondContact O-N 3.24Å
263	Q	96	Very high	94.2	Very high	19 Å²	19	36 Å²	36	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-41.1	176.4	-173.1	67.5	-2.4	0	0	112.3	F201 T202 E244 A248 E259 F261 L266 L267	F201-Q263 HydrophobicContact CB-CG 3.9Å; F201-Q263 HydrophobicContact CD1-CB 4.29Å; F201-Q263 HydrophobicContact CD1-CG 3.66Å; F201-Q263 HydrophobicContact CD2-CB 3.78Å; F201-Q263 HydrophobicContact CD2-CG 3.9Å; F201-Q263 HydrophobicContact CE1-CB 4.35Å; F201-Q263 HydrophobicContact CE1-CG 4.06Å; F201-Q263 HydrophobicContact CE2-CB 3.85Å; F201-Q263 HydrophobicContact CE2-CG 4.28Å; F201-Q263 HydrophobicContact CG-CB 4.01Å; F201-Q263 HydrophobicContact CG-CG 3.57Å; F201-Q263 HydrophobicContact CZ-CB 4.14Å; F201-Q263 HydrophobicContact CZ-CG 4.35Å; T202-Q263 PolarHBondContact O-NE2 3.34Å; E244-Q263 PolarHBondContact OE1-NE2 3.44Å; A248-Q263 HydrophobicContact CB-CB 4.34Å; A248-Q263 HydrophobicContact CB-CG 4.39Å; E259-Q263 PolarHBondContact O-N 2.93Å; F261-Q263 PolarHBondContact O-N 2.87Å; Q263-L266 PolarHBondContact O-N 2.81Å; Q263-L267 HydrophobicContact CG-CD1 4.07Å; Q263-L267 HydrophobicContact CG-CG 4.35Å; Q263-L267 WeakPolarHBondContact O-CG 3.33Å; Q263-L267 PolarHBondContact O-N 3.09Å
264	W	96	Very high	94.3	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-47	177	176.8	77	0	0	0	111.8	L245 A248 Y249 A260 F261 E262 L266 I268 L292 L296 F304 F313 L314	L245-W264 VanDerWaalsContact CD1-CD1 3.42Å; L245-W264 HydrophobicContact CD1-CG 4.27Å; A248-W264 HydrophobicContact CB-CB 4.1Å; Y249-W264 AromaticContact CD2-CE2 3.92Å; Y249-W264 HydrophobicContact CD2-CZ2 4.27Å; Y249-W264 AromaticContact CD2-NE1 3.68Å; A260-W264 VanDerWaalsContact O-CB 3.27Å; A260-W264 WeakPolarHBondContact O-CB 3.35Å; A260-W264 PolarHBondContact O-N 3.1Å; F261-W264 AromaticContact CD2-CE3 3.95Å; F261-W264 HydrophobicContact CD2-CE3 3.95Å; F261-W264 HydrophobicContact CD2-CZ3 4.33Å; F261-W264 AromaticContact CE2-CE3 3.91Å; F261-W264 HydrophobicContact CE2-CE3 3.91Å; F261-W264 AromaticContact CE2-CZ3 3.86Å; F261-W264 HydrophobicContact CE2-CZ3 3.86Å; F261-W264 PolarHBondContact O-N 3.22Å; E262-W264 VanDerWaalsContact C-N 3.35Å; E262-W264 PolarHBondContact O-N 2.97Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 2.74Å; W264-I268 HydrophobicContact CD2-CD1 3.71Å; W264-I268 HydrophobicContact CE3-CD1 4.15Å; W264-I268 HydrophobicContact CG-CD1 4.31Å; W264-I268 HydrophobicContact CH2-CD1 3.87Å; W264-I268 HydrophobicContact CZ2-CD1 3.38Å; W264-I268 HydrophobicContact CZ3-CD1 4.24Å; W264-I268 WeakPolarHBondContact O-CG1 3.24Å; W264-I268 PolarHBondContact O-N 3.29Å; W264-I268 VanDerWaalsContact O-N 3.11Å; W264-L292 HydrophobicContact CZ2-CD2 4.39Å; W264-L296 HydrophobicContact CZ2-CD2 4.41Å; W264-F304 HydrophobicContact CH2-CE1 4.47Å; W264-F313 HydrophobicContact CE3-CZ 4.2Å; W264-F313 HydrophobicContact CH2-CZ 4.21Å; W264-F313 HydrophobicContact CZ3-CE1 4.22Å; W264-F313 AromaticContact CZ3-CZ 3.57Å; W264-F313 HydrophobicContact CZ3-CZ 3.57Å; W264-L314 HydrophobicContact CH2-CD2 4.27Å
265	K	93.3	Very high	94.2	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-45.2	174.3	-67.9	-167.9	-70.8	177.8	0	111.7	F261 E262 I268 R269 F313	F261-K265 HydrophobicContact CD1-CD 4.17Å; F261-K265 HydrophobicContact CD2-CG 4.4Å; F261-K265 HydrophobicContact CE1-CD 3.59Å; F261-K265 HydrophobicContact CE1-CG 4.22Å; F261-K265 HydrophobicContact CE2-CD 4.24Å; F261-K265 HydrophobicContact CE2-CG 4.08Å; F261-K265 HydrophobicContact CZ-CD 3.63Å; F261-K265 HydrophobicContact CZ-CG 3.99Å; F261-K265 WeakPolarHBondContact O-CG 3.34Å; F261-K265 PolarHBondContact O-N 2.91Å; E262-K265 PolarHBondContact O-N 2.9Å; E262-K265 WeakPolarHBondContact OE1-CE 3.35Å; E262-K265 IonicContact OE1-NZ 3.98Å; E262-K265 PolarHBondContact OE1-NZ 3.44Å; E262-K265 WeakPolarHBondContact OE2-CE 3.49Å; E262-K265 IonicContact OE2-NZ 2.72Å; E262-K265 PolarHBondContact OE2-NZ 2.85Å; K265-I268 PolarHBondContact O-N 3.45Å; K265-R269 WeakPolarHBondContact O-CB 3.5Å; K265-R269 PolarHBondContact O-N 2.62Å; K265-F313 HydrophobicContact CB-CD2 4.39Å; K265-F313 HydrophobicContact CB-CE2 3.92Å; K265-F313 HydrophobicContact CB-CZ 4.2Å; K265-F313 HydrophobicContact CD-CD1 3.91Å; K265-F313 HydrophobicContact CD-CD2 4.33Å; K265-F313 HydrophobicContact CD-CE1 3.76Å; K265-F313 HydrophobicContact CD-CE2 4.19Å; K265-F313 HydrophobicContact CD-CG 4.24Å; K265-F313 HydrophobicContact CD-CZ 3.95Å; K265-F313 HydrophobicContact CG-CD1 4.34Å; K265-F313 HydrophobicContact CG-CD2 4.25Å; K265-F313 HydrophobicContact CG-CE1 3.78Å; K265-F313 HydrophobicContact CG-CE2 3.67Å; K265-F313 HydrophobicContact CG-CZ 3.45Å; K265-F313 VanDerWaalsContact CG-CZ 3.45Å
266	L	94.2	Very high	94.1	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.335	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-46.5	-175.7	-174.6	66.4	0	0	0	111.4	I204 E262 Q263 W264 I268 R269 I270	I204-L266 HydrophobicContact CD1-CD1 3.75Å; I204-L266 HydrophobicContact CD1-CD2 3.25Å; I204-L266 HydrophobicContact CD1-CG 3.24Å; I204-L266 HydrophobicContact CG1-CD2 3.56Å; I204-L266 HydrophobicContact CG1-CG 4.14Å; E262-L266 VanDerWaalsContact O-CB 3.24Å; E262-L266 WeakPolarHBondContact O-CB 3.34Å; E262-L266 PolarHBondContact O-N 3.24Å; Q263-L266 PolarHBondContact O-N 2.81Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 2.74Å; L266-I268 PolarHBondContact O-N 2.9Å; L266-R269 WeakPolarHBondContact O-CB 3.5Å; L266-R269 PolarHBondContact O-N 3.43Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 3.34Å
267	L	97	Very high	94.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.3	-71.9	173	0	0	0	111.5	M231 L241 E244 L245 Q263 R269 I270 F271	M231-L267 HydrophobicContact CE-CD2 3.51Å; L241-L267 HydrophobicContact CD1-CD2 3.68Å; L241-L267 HydrophobicContact CG-CD2 4.35Å; E244-L267 HydrophobicContact CB-CD1 4.44Å; E244-L267 HydrophobicContact CG-CD1 4.14Å; L245-L267 HydrophobicContact CB-CD1 4Å; L245-L267 HydrophobicContact CD1-CB 3.78Å; L245-L267 HydrophobicContact CD1-CD1 4.26Å; Q263-L267 HydrophobicContact CG-CD1 4.07Å; Q263-L267 HydrophobicContact CG-CG 4.35Å; Q263-L267 WeakPolarHBondContact O-CG 3.33Å; Q263-L267 PolarHBondContact O-N 3.09Å; L267-R269 VanDerWaalsContact C-N 3.32Å; L267-R269 PolarHBondContact O-N 3Å; L267-I270 PolarHBondContact O-N 2.79Å; L267-F271 WeakPolarHBondContact O-CD2 3.47Å; L267-F271 PolarHBondContact O-N 2.85Å; L267-F271 VanDerWaalsContact O-N 3.15Å
268	I	96.3	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46.9	174.7	-70.1	168.7	0	0	0	110.6	L245 W264 K265 L266 I270 F271 C272 F288 L292 L314 A317	L245-I268 HydrophobicContact CD1-CG1 4.01Å; W264-I268 HydrophobicContact CD2-CD1 3.71Å; W264-I268 HydrophobicContact CE3-CD1 4.15Å; W264-I268 HydrophobicContact CG-CD1 4.31Å; W264-I268 HydrophobicContact CH2-CD1 3.87Å; W264-I268 HydrophobicContact CZ2-CD1 3.38Å; W264-I268 HydrophobicContact CZ3-CD1 4.24Å; W264-I268 WeakPolarHBondContact O-CG1 3.24Å; W264-I268 PolarHBondContact O-N 3.29Å; W264-I268 VanDerWaalsContact O-N 3.11Å; K265-I268 PolarHBondContact O-N 3.45Å; L266-I268 PolarHBondContact O-N 2.9Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.1Å; I268-F271 PolarHBondContact O-N 3.24Å; I268-C272 WeakPolarHBondContact O-CB 3.37Å; I268-C272 PolarHBondContact O-N 2.89Å; I268-C272 PolarHBondContact O-SG 3.38Å; I268-F288 HydrophobicContact CG1-CE2 4.43Å; I268-L292 HydrophobicContact CD1-CD2 3.82Å; I268-L292 HydrophobicContact CG1-CD1 4.43Å; I268-L292 HydrophobicContact CG1-CD2 4.25Å; I268-L314 HydrophobicContact CD1-CD1 4.04Å; I268-L314 HydrophobicContact CG2-CD1 4.12Å; I268-A317 HydrophobicContact CG2-CB 4.24Å
269	R	94.2	Very high	94.5	Very high	145 Å²	145	33.4 Å²	33.4	55%	0.547	16%	0.163	S	C	.	.	H	α-helix	trans	-57.4	-45.1	178	178.4	-175.7	170.8	122.8	2.8	111.6	L224 K265 L266 L267 C272 N273	L224-R269 HydrophobicContact CD1-CG 4.38Å; K265-R269 WeakPolarHBondContact O-CB 3.5Å; K265-R269 PolarHBondContact O-N 2.62Å; L266-R269 WeakPolarHBondContact O-CB 3.5Å; L266-R269 PolarHBondContact O-N 3.43Å; L267-R269 VanDerWaalsContact C-N 3.32Å; L267-R269 PolarHBondContact O-N 3Å; R269-C272 PolarHBondContact O-N 3.05Å; R269-N273 PolarHBondContact O-N 3.34Å; R269-N273 PolarHBondContact O-ND2 3.15Å
270	I	95.2	Very high	94.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-54.4	-58.9	176.4	-66.7	-55	0	0	0	109.8	I204 L224 A227 L228 M231 L266 L267 I268 C272 N273 C274	I204-I270 HydrophobicContact CD1-CD1 3.74Å; I204-I270 HydrophobicContact CD1-CG1 3.57Å; I204-I270 HydrophobicContact CG2-CD1 4.16Å; L224-I270 HydrophobicContact CB-CD1 4.02Å; L224-I270 HydrophobicContact CD1-CD1 3.72Å; L224-I270 HydrophobicContact CG-CD1 4.36Å; A227-I270 HydrophobicContact CB-CD1 4.26Å; L228-I270 HydrophobicContact CB-CG2 3.77Å; L228-I270 HydrophobicContact CD1-CG2 4.07Å; L228-I270 HydrophobicContact CG-CG2 4.42Å; M231-I270 HydrophobicContact SD-CG1 4.23Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 3.34Å; L267-I270 PolarHBondContact O-N 2.79Å; I268-I270 VanDerWaalsContact C-N 3.33Å; I268-I270 PolarHBondContact O-N 3.1Å; I270-C272 PolarHBondContact O-N 2.85Å; I270-N273 PolarHBondContact O-N 2.88Å; I270-N273 VanDerWaalsContact O-N 3.07Å; I270-C274 PolarHBondContact O-SG 3.29Å
271	F	96.8	Very high	94.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-33.8	-178.8	-81.3	-87.2	0	0	0	112.6	L228 L241 L242 L267 I268 N273 L284 F285 F288	L228-F271 HydrophobicContact CD1-CE1 4.09Å; L228-F271 HydrophobicContact CD1-CE2 4.07Å; L228-F271 HydrophobicContact CD1-CZ 3.77Å; L228-F271 HydrophobicContact CD2-CE1 4.38Å; L241-F271 HydrophobicContact CD2-CE2 4.06Å; L241-F271 HydrophobicContact CD2-CZ 4.12Å; L241-F271 HydrophobicContact CG-CE2 4.36Å; L242-F271 HydrophobicContact CD2-CE1 3.99Å; L242-F271 HydrophobicContact CD2-CE2 3.78Å; L242-F271 HydrophobicContact CD2-CZ 3.44Å; L242-F271 VanDerWaalsContact CD2-CZ 3.44Å; L242-F271 HydrophobicContact CG-CZ 4.31Å; L267-F271 WeakPolarHBondContact O-CD2 3.47Å; L267-F271 PolarHBondContact O-N 2.85Å; L267-F271 VanDerWaalsContact O-N 3.15Å; I268-F271 PolarHBondContact O-N 3.24Å; F271-N273 PolarHBondContact O-N 2.93Å; F271-L284 HydrophobicContact CE1-CD2 3.97Å; F271-L284 HydrophobicContact CE1-CG 4.07Å; F271-L284 HydrophobicContact CZ-CD2 4.16Å; F271-L284 HydrophobicContact CZ-CG 4.41Å; F271-F285 HydrophobicContact CB-CE1 4.26Å; F271-F285 AromaticContact CD1-CD1 3.89Å; F271-F285 HydrophobicContact CD1-CD1 3.89Å; F271-F285 AromaticContact CD1-CE1 3.63Å; F271-F285 HydrophobicContact CD1-CE1 3.63Å; F271-F285 HydrophobicContact CD1-CZ 4.21Å; F271-F285 HydrophobicContact CG-CE1 4.42Å; F271-F285 WeakPolarHBondContact O-CE1 3.36Å; F271-F288 HydrophobicContact CB-CD1 3.93Å; F271-F288 HydrophobicContact CB-CD2 4.04Å; F271-F288 HydrophobicContact CB-CE1 3.59Å; F271-F288 HydrophobicContact CB-CE2 3.71Å; F271-F288 HydrophobicContact CB-CG 4.13Å; F271-F288 HydrophobicContact CB-CZ 3.45Å; F271-F288 VanDerWaalsContact CB-CZ 3.45Å; F271-F288 HydrophobicContact CD1-CB 4.07Å; F271-F288 HydrophobicContact CD1-CD1 4.21Å; F271-F288 HydrophobicContact CD1-CD2 4.11Å; F271-F288 AromaticContact CD1-CG 3.88Å; F271-F288 HydrophobicContact CD1-CG 3.88Å; F271-F288 AromaticContact CD2-CD2 3.99Å; F271-F288 HydrophobicContact CD2-CD2 3.99Å; F271-F288 HydrophobicContact CD2-CE2 4.03Å; F271-F288 HydrophobicContact CE1-CB 4.25Å; F271-F288 HydrophobicContact CE1-CG 4.46Å; F271-F288 HydrophobicContact CG-CD1 4.22Å; F271-F288 AromaticContact CG-CD2 3.78Å; F271-F288 HydrophobicContact CG-CD2 3.78Å; F271-F288 HydrophobicContact CG-CE1 4.31Å; F271-F288 AromaticContact CG-CE2 3.88Å; F271-F288 HydrophobicContact CG-CE2 3.88Å; F271-F288 AromaticContact CG-CG 3.95Å; F271-F288 HydrophobicContact CG-CG 3.95Å; F271-F288 HydrophobicContact CG-CZ 4.13Å
272	C	96	Very high	94.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2	-179.6	-63.7	0	0	0	0	114.7	I268 R269 I270 A317 N320 F321 L324	I268-C272 WeakPolarHBondContact O-CB 3.37Å; I268-C272 PolarHBondContact O-N 2.89Å; I268-C272 PolarHBondContact O-SG 3.38Å; R269-C272 PolarHBondContact O-N 3.05Å; I270-C272 PolarHBondContact O-N 2.85Å; C272-A317 HydrophobicContact CB-CB 4.02Å; C272-A317 VanDerWaalsContact CB-O 3.29Å; C272-A317 WeakPolarHBondContact CB-O 3.43Å; C272-N320 PolarHBondContact O-ND2 3.11Å; C272-F321 HydrophobicContact CB-CB 3.92Å; C272-L324 WeakPolarHBondContact O-CD1 3.28Å
273	N	94.6	Very high	95.1	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.203	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	42.6	-178.3	-66.6	-93.2	0	0	0	111.6	L224 R269 I270 F271 N320	L224-N273 HydrophobicContact CB-CB 4.43Å; L224-N273 WeakPolarHBondContact CB-O 3.42Å; L224-N273 HydrophobicContact CD1-CB 3.8Å; L224-N273 HydrophobicContact CG-CB 3.96Å; L224-N273 PolarHBondContact N-O 2.9Å; R269-N273 PolarHBondContact O-N 3.34Å; R269-N273 PolarHBondContact O-ND2 3.15Å; I270-N273 PolarHBondContact O-N 2.88Å; I270-N273 VanDerWaalsContact O-N 3.07Å; F271-N273 PolarHBondContact O-N 2.93Å; N273-N320 PolarHBondContact OD1-ND2 3.44Å
274	C	93.5	Very high	95.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	20%	0.197	C	C	.	.			trans	-129.5	69.4	-176.5	-74.6	0	0	0	0	110.9	L224 G225 L228 I270 A277 L278 F285	L224-C274 PolarHBondContact O-SG 3.2Å; G225-C274 VanDerWaalsContact CA-SG 3.59Å; G225-C274 PolarHBondContact N-SG 2.91Å; L228-C274 HydrophobicContact CD2-CB 4.23Å; I270-C274 PolarHBondContact O-SG 3.29Å; C274-A277 HydrophobicContact CB-CB 4.12Å; C274-A277 PolarHBondContact O-N 3.3Å; C274-L278 WeakPolarHBondContact O-CG 3.44Å; C274-F285 HydrophobicContact CB-CE1 4.41Å; C274-F285 HydrophobicContact CB-CZ 3.76Å
275	E	92.8	Very high	95.2	Very high	84 Å²	84	39.4 Å²	39.4	39%	0.393	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-48	-178.3	-172.2	175.2	-174.8	0	0	111.4	D223 A277 L278 L324	D223-E275 WeakPolarHBondContact OD2-CA 3.37Å; D223-E275 WeakPolarHBondContact OD2-CB 3.26Å; D223-E275 PolarHBondContact OD2-N 3.49Å; E275-A277 PolarHBondContact O-N 3.5Å; E275-A277 VanDerWaalsContact O-N 3.1Å; E275-L278 WeakPolarHBondContact O-CB 3.4Å; E275-L278 PolarHBondContact O-N 3.18Å; E275-L278 VanDerWaalsContact O-N 3.1Å; E275-L324 HydrophobicContact CB-CD2 4.1Å; E275-L324 HydrophobicContact CG-CD2 4.25Å
276	D	90.5	Very high	95.5	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.9	-177.2	-78.3	-15.9	0	0	0	113.1	D223	D223-D276 PolarHBondContact OD2-N 2.93Å
277	A	95.2	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.8	-178.1	0	0	0	0	0	113.3	L228 C274 E275 G279 E280 L281 F285	L228-A277 HydrophobicContact CD2-CB 4.22Å; C274-A277 HydrophobicContact CB-CB 4.12Å; C274-A277 PolarHBondContact O-N 3.3Å; E275-A277 PolarHBondContact O-N 3.5Å; E275-A277 VanDerWaalsContact O-N 3.1Å; A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.97Å; A277-E280 PolarHBondContact O-N 3.09Å; A277-L281 HydrophobicContact CB-CD1 4.17Å; A277-L281 WeakPolarHBondContact O-CB 3.42Å; A277-L281 PolarHBondContact O-N 3.1Å; A277-F285 HydrophobicContact CB-CE2 3.99Å; A277-F285 HydrophobicContact CB-CZ 4.28Å
278	L	95.7	Very high	95.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-39.5	-173.9	-70.3	176.1	0	0	0	112.8	C274 E275 S282 F285 F321 L324 I325 A331 L335	C274-L278 WeakPolarHBondContact O-CG 3.44Å; E275-L278 WeakPolarHBondContact O-CB 3.4Å; E275-L278 PolarHBondContact O-N 3.18Å; E275-L278 VanDerWaalsContact O-N 3.1Å; L278-S282 VanDerWaalsContact O-CA 3.28Å; L278-S282 WeakPolarHBondContact O-CA 3.39Å; L278-S282 WeakPolarHBondContact O-CB 3.12Å; L278-S282 PolarHBondContact O-N 2.88Å; L278-S282 PolarHBondContact O-OG 3.28Å; L278-F285 HydrophobicContact CD2-CD1 3.82Å; L278-F285 HydrophobicContact CD2-CD2 3.95Å; L278-F285 HydrophobicContact CD2-CE1 3.83Å; L278-F285 HydrophobicContact CD2-CE2 3.99Å; L278-F285 HydrophobicContact CD2-CG 3.87Å; L278-F285 HydrophobicContact CD2-CZ 3.93Å; L278-F321 HydrophobicContact CD2-CE2 4.45Å; L278-L324 HydrophobicContact CD1-CB 4.22Å; L278-I325 HydrophobicContact CD1-CG1 4.08Å; L278-I325 HydrophobicContact CD2-CG1 3.94Å; L278-A331 HydrophobicContact CB-CB 4.23Å; L278-L335 HydrophobicContact CD2-CD2 4.31Å
279	G	94.9	Very high	95.8	Very high	25 Å²	25	36.2 Å²	36.2	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-58.1	177	0	0	0	0	0	112	A277 L281 S282 S330	A277-G279 VanDerWaalsContact C-N 3.32Å; A277-G279 PolarHBondContact O-N 2.97Å; G279-L281 VanDerWaalsContact C-N 3.34Å; G279-L281 PolarHBondContact O-N 3.07Å; G279-S282 PolarHBondContact O-N 2.91Å; G279-S330 VanDerWaalsContact CA-O 3.29Å; G279-S330 WeakPolarHBondContact CA-O 3.4Å
280	E	95.4	Very high	96	Very high	128 Å²	128	34.9 Å²	34.9	60%	0.598	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-43	-177.3	-175.5	-168.4	167.2	0	0	112.6	R229 A277	R229-E280 IonicContact CZ-OE2 3.31Å; R229-E280 VanDerWaalsContact CZ-OE2 3.31Å; R229-E280 IonicContact NE-OE2 2.92Å; R229-E280 PolarHBondContact NE-OE2 2.81Å; R229-E280 IonicContact NH2-OE2 2.81Å; R229-E280 PolarHBondContact NH2-OE2 3.26Å; A277-E280 PolarHBondContact O-N 3.09Å
281	L	96.3	Very high	96.1	Very high	29 Å²	29	34.7 Å²	34.7	15%	0.152	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	27.1	-171.9	-55.8	-179.7	0	0	0	112.4	L228 L232 A277 G279 D283 L284 F285	L228-L281 HydrophobicContact CD2-CD1 4.04Å; L228-L281 HydrophobicContact CG-CD1 4.43Å; L232-L281 HydrophobicContact CD1-CD1 3.58Å; A277-L281 HydrophobicContact CB-CD1 4.17Å; A277-L281 WeakPolarHBondContact O-CB 3.42Å; A277-L281 PolarHBondContact O-N 3.1Å; G279-L281 VanDerWaalsContact C-N 3.34Å; G279-L281 PolarHBondContact O-N 3.07Å; L281-D283 PolarHBondContact O-N 2.81Å; L281-D283 VanDerWaalsContact O-N 3.1Å; L281-L284 HydrophobicContact CB-CB 4.19Å; L281-L284 HydrophobicContact CD1-CD2 4.34Å; L281-L284 WeakPolarHBondContact O-CA 3.28Å; L281-L284 WeakPolarHBondContact O-CB 3.33Å; L281-L284 PolarHBondContact O-N 3.14Å; L281-F285 HydrophobicContact CB-CD2 4.08Å; L281-F285 HydrophobicContact CB-CE2 4.02Å; L281-F285 VanDerWaalsContact O-CD2 3.32Å; L281-F285 WeakPolarHBondContact O-CD2 3.13Å; L281-F285 PolarHBondContact O-N 3.03Å
282	S	96.2	Very high	96.2	Very high	12 Å²	12	34.6 Å²	34.6	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-48.4	-42	-176.5	-97	0	0	0	0	113.9	L278 G279 L284 F285 A286 S332	L278-S282 VanDerWaalsContact O-CA 3.28Å; L278-S282 WeakPolarHBondContact O-CA 3.39Å; L278-S282 WeakPolarHBondContact O-CB 3.12Å; L278-S282 PolarHBondContact O-N 2.88Å; L278-S282 PolarHBondContact O-OG 3.28Å; G279-S282 PolarHBondContact O-N 2.91Å; S282-L284 PolarHBondContact O-N 2.9Å; S282-F285 PolarHBondContact O-N 2.84Å; S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 2.75Å; S282-S332 WeakPolarHBondContact OG-CB 3.32Å; S282-S332 PolarHBondContact OG-N 3.27Å; S282-S332 PolarHBondContact OG-OG 3.35Å
283	D	96.3	Very high	96.2	Very high	125 Å²	125	38 Å²	38	67%	0.668	19%	0.193	S	C	*	.	H	α-helix	trans	-66.4	-36.7	178.2	-74.9	-16.4	0	0	0	112.8	L281 A286 E287	L281-D283 PolarHBondContact O-N 2.81Å; L281-D283 VanDerWaalsContact O-N 3.1Å; D283-A286 PolarHBondContact O-N 3.25Å; D283-E287 PolarHBondContact O-N 3.07Å
284	L	97.7	Very high	96.3	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-68.6	-43.4	177	-171.6	70.1	0	0	0	110.6	L232 P238 K239 L242 F271 L281 S282 A286 E287 F288	L232-L284 HydrophobicContact CD1-CD2 3.8Å; L232-L284 HydrophobicContact CD2-CD2 3.84Å; L232-L284 HydrophobicContact CG-CD2 4.46Å; P238-L284 HydrophobicContact CB-CD1 4.22Å; K239-L284 HydrophobicContact CG-CD1 4.29Å; L242-L284 HydrophobicContact CD1-CD1 3.63Å; L242-L284 HydrophobicContact CD1-CG 4.28Å; L242-L284 HydrophobicContact CG-CD1 3.97Å; F271-L284 HydrophobicContact CE1-CD2 3.97Å; F271-L284 HydrophobicContact CE1-CG 4.07Å; F271-L284 HydrophobicContact CZ-CD2 4.16Å; F271-L284 HydrophobicContact CZ-CG 4.41Å; L281-L284 HydrophobicContact CB-CB 4.19Å; L281-L284 HydrophobicContact CD1-CD2 4.34Å; L281-L284 WeakPolarHBondContact O-CA 3.28Å; L281-L284 WeakPolarHBondContact O-CB 3.33Å; L281-L284 PolarHBondContact O-N 3.14Å; S282-L284 PolarHBondContact O-N 2.9Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 3.02Å; L284-E287 CarbonylContact O-C 3.49Å; L284-E287 WeakPolarHBondContact O-CB 3.43Å; L284-E287 PolarHBondContact O-N 3.21Å; L284-E287 VanDerWaalsContact O-N 3.15Å; L284-F288 PolarHBondContact O-N 3.41Å
285	F	98.2	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-36.5	174	-78.5	-77.8	0	0	0	112.4	L228 F271 C274 A277 L278 L281 S282 E287 F288 I289 F321 L335	L228-F285 HydrophobicContact CD2-CE2 4.28Å; L228-F285 HydrophobicContact CD2-CZ 3.88Å; F271-F285 HydrophobicContact CB-CE1 4.26Å; F271-F285 AromaticContact CD1-CD1 3.89Å; F271-F285 HydrophobicContact CD1-CD1 3.89Å; F271-F285 AromaticContact CD1-CE1 3.63Å; F271-F285 HydrophobicContact CD1-CE1 3.63Å; F271-F285 HydrophobicContact CD1-CZ 4.21Å; F271-F285 HydrophobicContact CG-CE1 4.42Å; F271-F285 WeakPolarHBondContact O-CE1 3.36Å; C274-F285 HydrophobicContact CB-CE1 4.41Å; C274-F285 HydrophobicContact CB-CZ 3.76Å; A277-F285 HydrophobicContact CB-CE2 3.99Å; A277-F285 HydrophobicContact CB-CZ 4.28Å; L278-F285 HydrophobicContact CD2-CD1 3.82Å; L278-F285 HydrophobicContact CD2-CD2 3.95Å; L278-F285 HydrophobicContact CD2-CE1 3.83Å; L278-F285 HydrophobicContact CD2-CE2 3.99Å; L278-F285 HydrophobicContact CD2-CG 3.87Å; L278-F285 HydrophobicContact CD2-CZ 3.93Å; L281-F285 HydrophobicContact CB-CD2 4.08Å; L281-F285 HydrophobicContact CB-CE2 4.02Å; L281-F285 VanDerWaalsContact O-CD2 3.32Å; L281-F285 WeakPolarHBondContact O-CD2 3.13Å; L281-F285 PolarHBondContact O-N 3.03Å; S282-F285 PolarHBondContact O-N 2.84Å; F285-E287 VanDerWaalsContact C-N 3.33Å; F285-E287 PolarHBondContact O-N 2.97Å; F285-F288 WeakPolarHBondContact O-CB 3.36Å; F285-F288 PolarHBondContact O-N 3.5Å; F285-I289 WeakPolarHBondContact O-CG1 3.21Å; F285-I289 PolarHBondContact O-N 2.96Å; F285-F321 AromaticContact CD1-CE2 3.66Å; F285-F321 HydrophobicContact CD1-CE2 3.66Å; F285-F321 HydrophobicContact CD1-CZ 4.07Å; F285-F321 HydrophobicContact CE1-CE2 4.04Å; F285-L335 HydrophobicContact CB-CD1 3.75Å; F285-L335 HydrophobicContact CB-CD2 3.81Å; F285-L335 HydrophobicContact CB-CG 4.46Å
286	A	97.7	Very high	96.4	Very high	18 Å²	18	34.5 Å²	34.5	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-38.8	173.5	0	0	0	0	0	111.4	S282 D283 L284 R290 L335 K338	S282-A286 WeakPolarHBondContact O-CB 3.37Å; S282-A286 PolarHBondContact O-N 2.75Å; D283-A286 PolarHBondContact O-N 3.25Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 3.02Å; A286-R290 PolarHBondContact O-N 3.48Å; A286-L335 HydrophobicContact CB-CD1 4.28Å; A286-K338 HydrophobicContact CB-CD 4Å; A286-K338 VanDerWaalsContact O-CE 3.26Å; A286-K338 WeakPolarHBondContact O-CE 3.45Å; A286-K338 PolarHBondContact O-NZ 3.17Å
287	E	98.1	Very high	96.4	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.093	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-40.6	173.7	-165.5	74.4	-119.4	0	0	111.3	Y134 L135 K239 L242 D283 L284 F285 I289 R290 V291	Y134-E287 WeakPolarHBondContact CE2-OE1 3.31Å; Y134-E287 PolarHBondContact OH-OE1 3.41Å; L135-E287 HydrophobicContact CD1-CG 4.22Å; K239-E287 HydrophobicContact CD-CG 4.38Å; K239-E287 IonicContact NZ-OE2 3.44Å; K239-E287 PolarHBondContact NZ-OE2 2.93Å; L242-E287 HydrophobicContact CD1-CB 3.56Å; L242-E287 HydrophobicContact CD1-CG 3.59Å; D283-E287 PolarHBondContact O-N 3.07Å; L284-E287 CarbonylContact O-C 3.49Å; L284-E287 WeakPolarHBondContact O-CB 3.43Å; L284-E287 PolarHBondContact O-N 3.21Å; L284-E287 VanDerWaalsContact O-N 3.15Å; F285-E287 VanDerWaalsContact C-N 3.33Å; F285-E287 PolarHBondContact O-N 2.97Å; E287-I289 PolarHBondContact O-N 3.25Å; E287-R290 WeakPolarHBondContact O-CA 3.05Å; E287-R290 VanDerWaalsContact O-CB 3.31Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.33Å; E287-V291 WeakPolarHBondContact O-CG2 3.42Å; E287-V291 PolarHBondContact O-N 3.42Å
288	F	98.4	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-48.6	173.6	170.4	-112.3	0	0	0	112	L242 L245 I268 F271 L284 F285 R290 V291 L292 F321	L242-F288 HydrophobicContact CD1-CB 4.42Å; L242-F288 HydrophobicContact CD2-CB 3.85Å; L242-F288 HydrophobicContact CD2-CD2 3.95Å; L242-F288 HydrophobicContact CD2-CG 4.39Å; L245-F288 HydrophobicContact CD2-CD2 3.76Å; L245-F288 HydrophobicContact CD2-CE2 3.76Å; I268-F288 HydrophobicContact CG1-CE2 4.43Å; F271-F288 HydrophobicContact CB-CD1 3.93Å; F271-F288 HydrophobicContact CB-CD2 4.04Å; F271-F288 HydrophobicContact CB-CE1 3.59Å; F271-F288 HydrophobicContact CB-CE2 3.71Å; F271-F288 HydrophobicContact CB-CG 4.13Å; F271-F288 HydrophobicContact CB-CZ 3.45Å; F271-F288 VanDerWaalsContact CB-CZ 3.45Å; F271-F288 HydrophobicContact CD1-CB 4.07Å; F271-F288 HydrophobicContact CD1-CD1 4.21Å; F271-F288 HydrophobicContact CD1-CD2 4.11Å; F271-F288 AromaticContact CD1-CG 3.88Å; F271-F288 HydrophobicContact CD1-CG 3.88Å; F271-F288 AromaticContact CD2-CD2 3.99Å; F271-F288 HydrophobicContact CD2-CD2 3.99Å; F271-F288 HydrophobicContact CD2-CE2 4.03Å; F271-F288 HydrophobicContact CE1-CB 4.25Å; F271-F288 HydrophobicContact CE1-CG 4.46Å; F271-F288 HydrophobicContact CG-CD1 4.22Å; F271-F288 AromaticContact CG-CD2 3.78Å; F271-F288 HydrophobicContact CG-CD2 3.78Å; F271-F288 HydrophobicContact CG-CE1 4.31Å; F271-F288 AromaticContact CG-CE2 3.88Å; F271-F288 HydrophobicContact CG-CE2 3.88Å; F271-F288 AromaticContact CG-CG 3.95Å; F271-F288 HydrophobicContact CG-CG 3.95Å; F271-F288 HydrophobicContact CG-CZ 4.13Å; L284-F288 PolarHBondContact O-N 3.41Å; F285-F288 WeakPolarHBondContact O-CB 3.36Å; F285-F288 PolarHBondContact O-N 3.5Å; F288-R290 PolarHBondContact O-N 3.07Å; F288-V291 PolarHBondContact O-N 3.5Å; F288-L292 HydrophobicContact CD1-CD1 4.43Å; F288-L292 HydrophobicContact CD2-CD1 4.33Å; F288-L292 HydrophobicContact CE1-CD1 3.67Å; F288-L292 HydrophobicContact CE2-CD1 3.55Å; F288-L292 HydrophobicContact CE2-CG 4.05Å; F288-L292 HydrophobicContact CZ-CD1 3.18Å; F288-L292 HydrophobicContact CZ-CG 4.18Å; F288-L292 PolarHBondContact O-N 2.94Å; F288-F321 HydrophobicContact CD1-CE1 4.24Å; F288-F321 HydrophobicContact CD1-CE2 4.37Å; F288-F321 AromaticContact CD1-CZ 3.81Å; F288-F321 HydrophobicContact CD1-CZ 3.81Å; F288-F321 HydrophobicContact CE1-CE1 4.09Å; F288-F321 HydrophobicContact CE1-CE2 4.27Å; F288-F321 AromaticContact CE1-CZ 3.92Å; F288-F321 HydrophobicContact CE1-CZ 3.92Å
289	I	98.4	Very high	95.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-40.6	174.7	-71.4	166.2	0	0	0	111.2	F285 E287 H293 F321 I325 L335 K338 F342	F285-I289 WeakPolarHBondContact O-CG1 3.21Å; F285-I289 PolarHBondContact O-N 2.96Å; E287-I289 PolarHBondContact O-N 3.25Å; I289-H293 WeakPolarHBondContact O-CB 3.45Å; I289-H293 PolarHBondContact O-N 3.15Å; I289-F321 HydrophobicContact CD1-CE1 4.1Å; I289-F321 HydrophobicContact CD1-CZ 4.26Å; I289-F321 HydrophobicContact CG1-CE1 3.78Å; I289-F321 HydrophobicContact CG1-CZ 4.07Å; I289-I325 HydrophobicContact CD1-CD1 4.45Å; I289-L335 HydrophobicContact CD1-CD1 3.64Å; I289-K338 HydrophobicContact CB-CD 4.46Å; I289-K338 HydrophobicContact CD1-CB 4.44Å; I289-K338 HydrophobicContact CG2-CD 4.28Å; I289-K338 HydrophobicContact CG2-CG 3.95Å; I289-F342 HydrophobicContact CB-CD1 4.41Å; I289-F342 HydrophobicContact CG1-CD1 4.27Å; I289-F342 HydrophobicContact CG2-CB 3.66Å; I289-F342 HydrophobicContact CG2-CD1 3.73Å; I289-F342 HydrophobicContact CG2-CG 3.74Å
290	R	98	Very high	94.4	Very high	117 Å²	117	40.8 Å²	40.8	44%	0.442	20%	0.199	S	C	.	.	H	α-helix	trans	-66.1	-45.4	179.4	-177.4	-179	-176.4	178.1	-0.7	111.4	A286 E287 F288 H293 F294	A286-R290 PolarHBondContact O-N 3.48Å; E287-R290 WeakPolarHBondContact O-CA 3.05Å; E287-R290 VanDerWaalsContact O-CB 3.31Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.33Å; F288-R290 PolarHBondContact O-N 3.07Å; R290-H293 PolarHBondContact O-N 3.44Å; R290-F294 HydrophobicContact CG-CD2 4.06Å; R290-F294 HydrophobicContact CG-CE2 3.62Å; R290-F294 VanDerWaalsContact O-CD2 3.24Å; R290-F294 WeakPolarHBondContact O-CD2 3.31Å; R290-F294 PolarHBondContact O-N 3.03Å
291	V	98.4	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-54	177.7	170.4	0	0	0	0	110	Y134 L135 L242 L245 Q246 E287 F288 H293 F294 Q295	Y134-V291 HydrophobicContact CE1-CG2 4.45Å; Y134-V291 WeakPolarHBondContact OH-CG2 3.45Å; L135-V291 HydrophobicContact CD1-CG2 3.73Å; L242-V291 HydrophobicContact CB-CG2 4.44Å; L245-V291 HydrophobicContact CD2-CG1 3.91Å; L245-V291 HydrophobicContact CG-CG1 4.36Å; Q246-V291 HydrophobicContact CG-CG1 3.67Å; Q246-V291 HydrophobicContact CG-CG2 4.44Å; E287-V291 WeakPolarHBondContact O-CG2 3.42Å; E287-V291 PolarHBondContact O-N 3.42Å; F288-V291 PolarHBondContact O-N 3.5Å; V291-H293 VanDerWaalsContact C-N 3.33Å; V291-H293 PolarHBondContact O-N 3.03Å; V291-F294 PolarHBondContact O-N 2.65Å; V291-Q295 HydrophobicContact CG1-CG 4.49Å; V291-Q295 WeakPolarHBondContact O-CG 3.48Å; V291-Q295 PolarHBondContact O-N 3.04Å
292	L	97.3	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-40.4	179.7	-99.2	177.7	0	0	0	112.5	W264 I268 F288 F294 Q295 L296 L318 F342	W264-L292 HydrophobicContact CZ2-CD2 4.39Å; I268-L292 HydrophobicContact CD1-CD2 3.82Å; I268-L292 HydrophobicContact CG1-CD1 4.43Å; I268-L292 HydrophobicContact CG1-CD2 4.25Å; F288-L292 HydrophobicContact CD1-CD1 4.43Å; F288-L292 HydrophobicContact CD2-CD1 4.33Å; F288-L292 HydrophobicContact CE1-CD1 3.67Å; F288-L292 HydrophobicContact CE2-CD1 3.55Å; F288-L292 HydrophobicContact CE2-CG 4.05Å; F288-L292 HydrophobicContact CZ-CD1 3.18Å; F288-L292 HydrophobicContact CZ-CG 4.18Å; F288-L292 PolarHBondContact O-N 2.94Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 PolarHBondContact O-N 2.89Å; L292-Q295 PolarHBondContact O-N 3.29Å; L292-L296 HydrophobicContact CD2-CD1 4.18Å; L292-L296 HydrophobicContact CD2-CG 4.11Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 3.27Å; L292-L318 HydrophobicContact CD1-CD2 4.14Å; L292-F342 HydrophobicContact CB-CE1 4.22Å; L292-F342 HydrophobicContact CB-CZ 3.84Å
293	H	96.7	Very high	91.1	Very high	71 Å²	71	44.7 Å²	44.7	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-57	-43.7	176.5	170.5	-88.9	0	0	0	112.1	I289 R290 V291 K297 F342	I289-H293 WeakPolarHBondContact O-CB 3.45Å; I289-H293 PolarHBondContact O-N 3.15Å; R290-H293 PolarHBondContact O-N 3.44Å; V291-H293 VanDerWaalsContact C-N 3.33Å; V291-H293 PolarHBondContact O-N 3.03Å; H293-K297 VanDerWaalsContact O-CB 3.23Å; H293-K297 WeakPolarHBondContact O-CB 3.5Å; H293-K297 PolarHBondContact O-N 2.88Å; H293-F342 HydrophobicContact CB-CD2 3.94Å; H293-F342 HydrophobicContact CB-CE2 3.81Å
294	F	95.9	Very high	89.7	Confident	48 Å²	48	39.5 Å²	39.5	21%	0.211	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-40.9	177.2	-69.4	-53.5	0	0	0	112.8	S131 L132 R290 V291 L292 K297 M298	S131-F294 WeakPolarHBondContact O-CD2 3.43Å; L132-F294 HydrophobicContact CD2-CB 4.06Å; R290-F294 HydrophobicContact CG-CD2 4.06Å; R290-F294 HydrophobicContact CG-CE2 3.62Å; R290-F294 VanDerWaalsContact O-CD2 3.24Å; R290-F294 WeakPolarHBondContact O-CD2 3.31Å; R290-F294 PolarHBondContact O-N 3.03Å; V291-F294 PolarHBondContact O-N 2.65Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 PolarHBondContact O-N 2.89Å; F294-K297 PolarHBondContact O-N 2.83Å; F294-M298 PolarHBondContact O-N 2.89Å
295	Q	95.4	Very high	88.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-57.1	175.7	-70.1	177.8	-12.5	0	0	110.5	L132 L245 Y249 V291 L292 K297 M298 T299	L132-Q295 HydrophobicContact CD2-CB 4.39Å; L132-Q295 HydrophobicContact CD2-CG 3.93Å; L245-Q295 PolarHBondContact O-NE2 3.4Å; Y249-Q295 VanDerWaalsContact CB-NE2 3.29Å; Y249-Q295 HydrophobicContact CD1-CB 4.4Å; Y249-Q295 HydrophobicContact CD1-CG 3.75Å; Y249-Q295 HydrophobicContact CD2-CB 4.09Å; Y249-Q295 HydrophobicContact CD2-CG 4Å; Y249-Q295 HydrophobicContact CE1-CB 4.14Å; Y249-Q295 HydrophobicContact CE1-CG 3.91Å; Y249-Q295 HydrophobicContact CE2-CB 3.82Å; Y249-Q295 HydrophobicContact CE2-CG 4.15Å; Y249-Q295 HydrophobicContact CG-CB 4.36Å; Y249-Q295 HydrophobicContact CG-CG 3.78Å; Y249-Q295 PolarHBondContact OH-O 3.42Å; V291-Q295 HydrophobicContact CG1-CG 4.49Å; V291-Q295 WeakPolarHBondContact O-CG 3.48Å; V291-Q295 PolarHBondContact O-N 3.04Å; L292-Q295 PolarHBondContact O-N 3.29Å; Q295-K297 PolarHBondContact O-N 3.22Å; Q295-M298 WeakPolarHBondContact O-CA 3.32Å; Q295-M298 PolarHBondContact O-N 2.89Å; Q295-T299 PolarHBondContact O-N 3.35Å; Q295-T299 PolarHBondContact O-OG1 3.11Å
296	L	92.9	Very high	86	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-17.1	-179	-59.6	-174.9	0	0	0	113.1	W264 L292 M298 F304 L314 L318 F342 L346 K349 Y350	W264-L296 HydrophobicContact CZ2-CD2 4.41Å; L292-L296 HydrophobicContact CD2-CD1 4.18Å; L292-L296 HydrophobicContact CD2-CG 4.11Å; L292-L296 WeakPolarHBondContact O-CB 3.44Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 3.27Å; L296-M298 VanDerWaalsContact C-N 3.32Å; L296-F304 HydrophobicContact CD2-CE2 4.4Å; L296-F304 HydrophobicContact CD2-CZ 3.73Å; L296-L314 HydrophobicContact CD1-CD2 3.95Å; L296-L314 HydrophobicContact CD2-CD2 3.43Å; L296-L314 VanDerWaalsContact CD2-CD2 3.43Å; L296-L314 HydrophobicContact CG-CD2 4.34Å; L296-L318 HydrophobicContact CD1-CD1 4.1Å; L296-F342 HydrophobicContact CD1-CZ 4.06Å; L296-L346 HydrophobicContact CB-CD2 4.09Å; L296-L346 HydrophobicContact CD1-CD1 4.18Å; L296-L346 HydrophobicContact CD1-CD2 3.69Å; L296-K349 PolarHBondContact O-NZ 3.41Å; L296-Y350 HydrophobicContact CB-CE2 4.32Å; L296-Y350 PolarHBondContact O-OH 3.01Å
297	K	90.5	Very high	83.9	Confident	132 Å²	132	53.6 Å²	53.6	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-69.7	-34.7	168.1	-174.9	175.1	179.3	-178.8	0	111.4	H293 F294 Q295 K349	H293-K297 VanDerWaalsContact O-CB 3.23Å; H293-K297 WeakPolarHBondContact O-CB 3.5Å; H293-K297 PolarHBondContact O-N 2.88Å; F294-K297 PolarHBondContact O-N 2.83Å; Q295-K297 PolarHBondContact O-N 3.22Å; K297-K349 VanDerWaalsContact C-NZ 3.3Å; K297-K349 PolarHBondContact O-NZ 3.49Å
298	M	84.9	Confident	81.4	Confident	71 Å²	71	53.3 Å²	53.3	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-91.7	-20.9	-175.5	-66.9	-52.1	-54.2	0	0	114.5	T128 L132 F294 Q295 L296	T128-M298 HydrophobicContact CG2-CE 3.41Å; T128-M298 VanDerWaalsContact CG2-CE 3.41Å; T128-M298 HydrophobicContact CG2-CG 3.69Å; T128-M298 HydrophobicContact CG2-SD 3.29Å; T128-M298 WeakPolarHBondContact CG2-SD 3.33Å; L132-M298 HydrophobicContact CD1-CB 4.48Å; L132-M298 HydrophobicContact CD1-CG 4.19Å; L132-M298 HydrophobicContact CD2-CG 4.5Å; F294-M298 PolarHBondContact O-N 2.89Å; Q295-M298 WeakPolarHBondContact O-CA 3.32Å; Q295-M298 PolarHBondContact O-N 2.89Å; L296-M298 VanDerWaalsContact C-N 3.32Å
299	T	82.9	Confident	79	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	29%	0.291	C	S	.	.	S	Bend	trans	-68.7	130.1	175.1	-38.9	0	0	0	0	110.5	Y249 Q295 F303 F304 K349 Y350	Y249-T299 PolarHBondContact OH-OG1 2.82Å; Q295-T299 PolarHBondContact O-N 3.35Å; Q295-T299 PolarHBondContact O-OG1 3.11Å; T299-F303 HydrophobicContact CG2-CB 3.79Å; T299-F303 HydrophobicContact CG2-CD1 3.52Å; T299-F303 HydrophobicContact CG2-CE1 4.44Å; T299-F303 HydrophobicContact CG2-CG 3.74Å; T299-F304 HydrophobicContact CG2-CD2 4.5Å; T299-F304 HydrophobicContact CG2-CE1 4.49Å; T299-F304 HydrophobicContact CG2-CE2 3.57Å; T299-F304 HydrophobicContact CG2-CZ 3.57Å; T299-K349 PolarHBondContact O-NZ 2.84Å; T299-Y350 PolarHBondContact O-OH 3.19Å
300	P	77.6	Confident	76.7	Confident	67 Å²	67	63.2 Å²	63.2	44%	0.435	33%	0.331	S	S	.	.			trans	-59.4	151	170.8	-21.9	33.2	0	0	0	111.4	E302 F303	P300-E302 VanDerWaalsContact C-N 3.32Å; P300-E302 VanDerWaalsContact CB-OE2 3.27Å; P300-E302 WeakPolarHBondContact CB-OE2 3.29Å; P300-F303 VanDerWaalsContact O-CB 3.27Å; P300-F303 WeakPolarHBondContact O-CB 3.35Å; P300-F303 PolarHBondContact O-N 3.23Å
301	Q	75	Confident	74.8	Confident	100 Å²	100	61.5 Å²	61.5	47%	0.467	33%	0.33	S	S	.	.	S	Bend	trans	-68.2	-37.4	-179.9	-74	174.8	-6	0	0	111.4	F303 F304 K349 Y350	Q301-F303 PolarHBondContact O-N 2.82Å; Q301-F303 VanDerWaalsContact O-N 3.16Å; Q301-F304 PolarHBondContact O-N 3.07Å; Q301-F304 VanDerWaalsContact O-N 3.16Å; Q301-K349 PolarHBondContact NE2-O 3.26Å; Q301-Y350 HydrophobicContact CB-CE1 4.45Å; Q301-Y350 HydrophobicContact CG-CD1 3.95Å; Q301-Y350 HydrophobicContact CG-CE1 3.88Å
302	E	71.9	Confident	73.7	Confident	123 Å²	123	63.2 Å²	63.2	58%	0.575	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.7	-179.7	-56.3	78.7	-172.1	0	0	111.8	P300 F304 V305 D306	P300-E302 VanDerWaalsContact C-N 3.32Å; P300-E302 VanDerWaalsContact CB-OE2 3.27Å; P300-E302 WeakPolarHBondContact CB-OE2 3.29Å; E302-F304 PolarHBondContact O-N 3.25Å; E302-V305 WeakPolarHBondContact O-CB 3.41Å; E302-V305 PolarHBondContact O-N 2.97Å; E302-D306 PolarHBondContact O-N 3.2Å
303	F	70.8	Confident	73.1	Confident	28 Å²	28	65.5 Å²	65.5	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-56.8	-38.7	178.1	-177.6	-99.1	0	0	0	112.7	F252 F261 T299 P300 Q301 V305 I307	F252-F303 HydrophobicContact CE1-CE1 4.04Å; F252-F303 HydrophobicContact CE1-CE2 4.07Å; F252-F303 AromaticContact CE1-CZ 3.53Å; F252-F303 HydrophobicContact CE1-CZ 3.53Å; F252-F303 HydrophobicContact CE2-CE2 4.37Å; F252-F303 HydrophobicContact CE2-CZ 4.18Å; F252-F303 HydrophobicContact CZ-CE1 4.06Å; F252-F303 AromaticContact CZ-CE2 3.38Å; F252-F303 HydrophobicContact CZ-CE2 3.38Å; F252-F303 AromaticContact CZ-CZ 3.1Å; F252-F303 HydrophobicContact CZ-CZ 3.1Å; F261-F303 HydrophobicContact CE2-CE1 4.41Å; F261-F303 HydrophobicContact CE2-CZ 4.24Å; T299-F303 HydrophobicContact CG2-CB 3.79Å; T299-F303 HydrophobicContact CG2-CD1 3.52Å; T299-F303 HydrophobicContact CG2-CE1 4.44Å; T299-F303 HydrophobicContact CG2-CG 3.74Å; P300-F303 VanDerWaalsContact O-CB 3.27Å; P300-F303 WeakPolarHBondContact O-CB 3.35Å; P300-F303 PolarHBondContact O-N 3.23Å; Q301-F303 PolarHBondContact O-N 2.82Å; Q301-F303 VanDerWaalsContact O-N 3.16Å; F303-V305 VanDerWaalsContact C-N 3.3Å; F303-I307 HydrophobicContact CD2-CD1 3.94Å; F303-I307 HydrophobicContact CE2-CD1 3.37Å; F303-I307 HydrophobicContact CE2-CG1 4.5Å; F303-I307 HydrophobicContact CZ-CB 4.49Å; F303-I307 HydrophobicContact CZ-CD1 4.11Å; F303-I307 HydrophobicContact CZ-CG2 4.36Å
304	F	67.8	Low	72.7	Confident	16 Å²	16	62.1 Å²	62.1	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-85	-6.9	-179.5	-59	-68.2	0	0	0	113.2	W264 L296 T299 Q301 E302 V308 L314 Y350 W352	W264-F304 HydrophobicContact CH2-CE1 4.47Å; L296-F304 HydrophobicContact CD2-CE2 4.4Å; L296-F304 HydrophobicContact CD2-CZ 3.73Å; T299-F304 HydrophobicContact CG2-CD2 4.5Å; T299-F304 HydrophobicContact CG2-CE1 4.49Å; T299-F304 HydrophobicContact CG2-CE2 3.57Å; T299-F304 HydrophobicContact CG2-CZ 3.57Å; Q301-F304 PolarHBondContact O-N 3.07Å; Q301-F304 VanDerWaalsContact O-N 3.16Å; E302-F304 PolarHBondContact O-N 3.25Å; F304-V308 HydrophobicContact CD1-CG2 4.4Å; F304-L314 HydrophobicContact CD1-CD2 4.28Å; F304-L314 HydrophobicContact CE1-CD2 3.54Å; F304-L314 HydrophobicContact CZ-CD2 3.76Å; F304-Y350 HydrophobicContact CD2-CD1 4.31Å; F304-Y350 AromaticContact CD2-CE1 3.66Å; F304-Y350 HydrophobicContact CD2-CE1 3.66Å; F304-Y350 AromaticContact CE2-CE1 3.76Å; F304-Y350 HydrophobicContact CE2-CE1 3.76Å; F304-Y350 AromaticContact CE2-CZ 3.8Å; F304-W352 HydrophobicContact CB-CZ2 4.47Å; F304-W352 HydrophobicContact CD2-CZ2 4.38Å; F304-W352 HydrophobicContact CG-CZ2 4.31Å
305	V	62.6	Low	72.4	Confident	94 Å²	94	60.7 Å²	60.7	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-84.7	-42.2	178.4	-176.3	0	0	0	0	110.7	E302 F303 S309	E302-V305 WeakPolarHBondContact O-CB 3.41Å; E302-V305 PolarHBondContact O-N 2.97Å; F303-V305 VanDerWaalsContact C-N 3.3Å; V305-S309 WeakPolarHBondContact O-CB 3.37Å; V305-S309 PolarHBondContact O-OG 3.15Å
306	D	55	Low	72	Confident	128 Å²	128	61.9 Å²	61.9	68%	0.684	34%	0.337	S	S	*	.	H	α-helix	trans	-102.5	-24.4	-167.6	-79	-25.6	0	0	0	116.2	E302 S309	E302-D306 PolarHBondContact O-N 3.2Å; D306-S309 WeakPolarHBondContact CA-OG 3.41Å; D306-S309 PolarHBondContact O-OG 3.25Å
307	I	52.9	Low	72	Confident	103 Å²	103	62.5 Å²	62.5	53%	0.528	34%	0.342	S	S	.	.	S	Bend	trans	-101.5	-11	-175.7	-69.8	163.2	0	0	0	112.2	F261 F303	F261-I307 HydrophobicContact CE1-CG2 4.47Å; F261-I307 HydrophobicContact CZ-CG2 4.38Å; F303-I307 HydrophobicContact CD2-CD1 3.94Å; F303-I307 HydrophobicContact CE2-CD1 3.37Å; F303-I307 HydrophobicContact CE2-CG1 4.5Å; F303-I307 HydrophobicContact CZ-CB 4.49Å; F303-I307 HydrophobicContact CZ-CD1 4.11Å; F303-I307 HydrophobicContact CZ-CG2 4.36Å
308	V	46.7	Very low	72.1	Confident	13 Å²	13	56.2 Å²	56.2	8%	0.079	32%	0.315	C	S	.	.	S	Bend	trans	-126.8	14.2	-173.9	-145.9	0	0	0	0	112.4	F304 S310 N311 F313	F304-V308 HydrophobicContact CD1-CG2 4.4Å; V308-S310 PolarHBondContact O-N 2.96Å; V308-N311 VanDerWaalsContact CG1-O 3.25Å; V308-N311 WeakPolarHBondContact CG1-O 3.4Å; V308-N311 CarbonylContact O-C 3.52Å; V308-N311 PolarHBondContact O-N 2.5Å; V308-F313 HydrophobicContact CG1-CD1 3.67Å; V308-F313 HydrophobicContact CG1-CE1 4.38Å
309	S	48.4	Very low	72.5	Confident	90 Å²	90	53.8 Å²	53.8	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	0.4	-171.2	-27.8	0	0	0	0	115.3	V305 D306	V305-S309 WeakPolarHBondContact O-CB 3.37Å; V305-S309 PolarHBondContact O-OG 3.15Å; D306-S309 WeakPolarHBondContact CA-OG 3.41Å; D306-S309 PolarHBondContact O-OG 3.25Å
310	S	49.7	Very low	73	Confident	123 Å²	123	55.3 Å²	55.3	86%	0.86	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-13	172.8	42.2	0	0	0	0	115.6	V308	V308-S310 PolarHBondContact O-N 2.96Å
311	N	57.6	Low	73.9	Confident	80 Å²	80	52.2 Å²	52.2	43%	0.428	29%	0.29	S	S	.	.			trans	177.7	115.3	163.9	-151.4	-7	0	0	0	106.7	V308 F313 E360	V308-N311 VanDerWaalsContact CG1-O 3.25Å; V308-N311 WeakPolarHBondContact CG1-O 3.4Å; V308-N311 CarbonylContact O-C 3.52Å; V308-N311 PolarHBondContact O-N 2.5Å; N311-F313 PolarHBondContact O-N 3.07Å; N311-E360 PolarHBondContact ND2-OE2 2.6Å
312	N	75.6	Confident	74.9	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.193	27%	0.268	C	S	.	.			trans	-65.3	83.6	-178	-177.4	-4.7	0	0	0	110.3	L314 A315 M316 W352	N312-L314 PolarHBondContact O-N 3.41Å; N312-L314 PolarHBondContact OD1-N 3.16Å; N312-A315 HydrophobicContact CB-CB 4.06Å; N312-A315 WeakPolarHBondContact ND2-CB 3.24Å; N312-A315 PolarHBondContact O-N 3.23Å; N312-A315 PolarHBondContact OD1-N 2.88Å; N312-M316 PolarHBondContact O-N 3.16Å; N312-M316 VanDerWaalsContact O-N 3.07Å; N312-W352 VanDerWaalsContact ND2-CE2 3.26Å; N312-W352 WeakPolarHBondContact ND2-CZ2 3.37Å; N312-W352 PolarHBondContact ND2-NE1 3.29Å
313	F	84	Confident	76	Confident	49 Å²	49	46 Å²	46	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-31	-171.1	85.2	-85.8	0	0	0	110.8	F261 W264 K265 V308 N311 A317	F261-F313 HydrophobicContact CZ-CE1 4.24Å; W264-F313 HydrophobicContact CE3-CZ 4.2Å; W264-F313 HydrophobicContact CH2-CZ 4.21Å; W264-F313 HydrophobicContact CZ3-CE1 4.22Å; W264-F313 AromaticContact CZ3-CZ 3.57Å; W264-F313 HydrophobicContact CZ3-CZ 3.57Å; K265-F313 HydrophobicContact CB-CD2 4.39Å; K265-F313 HydrophobicContact CB-CE2 3.92Å; K265-F313 HydrophobicContact CB-CZ 4.2Å; K265-F313 HydrophobicContact CD-CD1 3.91Å; K265-F313 HydrophobicContact CD-CD2 4.33Å; K265-F313 HydrophobicContact CD-CE1 3.76Å; K265-F313 HydrophobicContact CD-CE2 4.19Å; K265-F313 HydrophobicContact CD-CG 4.24Å; K265-F313 HydrophobicContact CD-CZ 3.95Å; K265-F313 HydrophobicContact CG-CD1 4.34Å; K265-F313 HydrophobicContact CG-CD2 4.25Å; K265-F313 HydrophobicContact CG-CE1 3.78Å; K265-F313 HydrophobicContact CG-CE2 3.67Å; K265-F313 HydrophobicContact CG-CZ 3.45Å; K265-F313 VanDerWaalsContact CG-CZ 3.45Å; V308-F313 HydrophobicContact CG1-CD1 3.67Å; V308-F313 HydrophobicContact CG1-CE1 4.38Å; N311-F313 PolarHBondContact O-N 3.07Å; F313-A317 WeakPolarHBondContact O-CB 3.42Å; F313-A317 PolarHBondContact O-N 3.42Å
314	L	89.4	Confident	77.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.3	-45.7	-179.5	-177.1	64.3	0	0	0	111	W264 I268 L296 F304 N312 M316 A317 L318 W352	W264-L314 HydrophobicContact CH2-CD2 4.27Å; I268-L314 HydrophobicContact CD1-CD1 4.04Å; I268-L314 HydrophobicContact CG2-CD1 4.12Å; L296-L314 HydrophobicContact CD1-CD2 3.95Å; L296-L314 HydrophobicContact CD2-CD2 3.43Å; L296-L314 VanDerWaalsContact CD2-CD2 3.43Å; L296-L314 HydrophobicContact CG-CD2 4.34Å; F304-L314 HydrophobicContact CD1-CD2 4.28Å; F304-L314 HydrophobicContact CE1-CD2 3.54Å; F304-L314 HydrophobicContact CZ-CD2 3.76Å; N312-L314 PolarHBondContact O-N 3.41Å; N312-L314 PolarHBondContact OD1-N 3.16Å; L314-M316 VanDerWaalsContact C-N 3.31Å; L314-M316 PolarHBondContact O-N 2.91Å; L314-A317 PolarHBondContact O-N 2.66Å; L314-L318 HydrophobicContact CD1-CD1 3.81Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 VanDerWaalsContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CB 3.42Å; L314-L318 WeakPolarHBondContact O-CG 3.45Å; L314-L318 PolarHBondContact O-N 2.75Å; L314-W352 HydrophobicContact CD2-CH2 3.76Å; L314-W352 HydrophobicContact CD2-CZ3 4.26Å; L314-W352 HydrophobicContact CG-CH2 4.2Å; L314-W352 HydrophobicContact CG-CZ3 4.41Å
315	A	88	Confident	78.5	Confident	18 Å²	18	45.1 Å²	45.1	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-42.9	174.6	0	0	0	0	0	110.9	N312 L318 F319 W352 F354	N312-A315 HydrophobicContact CB-CB 4.06Å; N312-A315 WeakPolarHBondContact ND2-CB 3.24Å; N312-A315 PolarHBondContact O-N 3.23Å; N312-A315 PolarHBondContact OD1-N 2.88Å; A315-L318 PolarHBondContact O-N 3.29Å; A315-F319 WeakPolarHBondContact O-CB 3.29Å; A315-F319 PolarHBondContact O-N 2.9Å; A315-W352 HydrophobicContact CB-CD2 4.12Å; A315-W352 HydrophobicContact CB-CE3 4.39Å; A315-W352 HydrophobicContact CB-CG 4.42Å; A315-F354 WeakPolarHBondContact O-CE1 3.44Å
316	M	87.9	Confident	80	Confident	25 Å²	25	44.3 Å²	44.3	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-46	178	-66.8	-60.2	-76.4	0	0	112.8	N312 L314 L318 F319 N320 P358 E360 Y361	N312-M316 PolarHBondContact O-N 3.16Å; N312-M316 VanDerWaalsContact O-N 3.07Å; L314-M316 VanDerWaalsContact C-N 3.31Å; L314-M316 PolarHBondContact O-N 2.91Å; M316-L318 VanDerWaalsContact C-N 3.32Å; M316-L318 PolarHBondContact O-N 3.44Å; M316-F319 PolarHBondContact O-N 3Å; M316-N320 PolarHBondContact O-N 2.69Å; M316-N320 VanDerWaalsContact O-N 3.1Å; M316-P358 HydrophobicContact CE-CB 3.6Å; M316-P358 HydrophobicContact CE-CG 3.87Å; M316-P358 HydrophobicContact SD-CB 3.55Å; M316-P358 VanDerWaalsContact SD-CB 3.55Å; M316-P358 HydrophobicContact SD-CG 3.57Å; M316-P358 VanDerWaalsContact SD-CG 3.57Å; M316-E360 HydrophobicContact CE-CB 4.15Å; M316-Y361 HydrophobicContact CE-CD2 3.8Å; M316-Y361 HydrophobicContact CE-CE2 3.16Å; M316-Y361 HydrophobicContact SD-CE2 4.49Å
317	A	92	Very high	81.8	Confident	14 Å²	14	41.3 Å²	41.3	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-43.1	176.3	0	0	0	0	0	111.2	I268 C272 F313 L314 N320 F321	I268-A317 HydrophobicContact CG2-CB 4.24Å; C272-A317 HydrophobicContact CB-CB 4.02Å; C272-A317 VanDerWaalsContact CB-O 3.29Å; C272-A317 WeakPolarHBondContact CB-O 3.43Å; F313-A317 WeakPolarHBondContact O-CB 3.42Å; F313-A317 PolarHBondContact O-N 3.42Å; L314-A317 PolarHBondContact O-N 2.66Å; A317-N320 PolarHBondContact O-N 3.04Å; A317-F321 WeakPolarHBondContact O-CB 3.41Å; A317-F321 PolarHBondContact O-N 3.25Å
318	L	94.2	Very high	83.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.3	-35	179.8	-69.7	172.4	0	0	0	112.8	L292 L296 L314 A315 M316 N320 F321 F322 F342 L346 W352 F354	L292-L318 HydrophobicContact CD1-CD2 4.14Å; L296-L318 HydrophobicContact CD1-CD1 4.1Å; L314-L318 HydrophobicContact CD1-CD1 3.81Å; L314-L318 HydrophobicContact CD1-CG 4.14Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 VanDerWaalsContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CB 3.42Å; L314-L318 WeakPolarHBondContact O-CG 3.45Å; L314-L318 PolarHBondContact O-N 2.75Å; A315-L318 PolarHBondContact O-N 3.29Å; M316-L318 VanDerWaalsContact C-N 3.32Å; M316-L318 PolarHBondContact O-N 3.44Å; L318-N320 VanDerWaalsContact C-N 3.34Å; L318-F321 HydrophobicContact CD2-CD1 4.36Å; L318-F321 PolarHBondContact O-N 3.21Å; L318-F322 HydrophobicContact CB-CD2 4.5Å; L318-F322 HydrophobicContact CB-CE2 3.99Å; L318-F322 HydrophobicContact CB-CZ 4.4Å; L318-F322 WeakPolarHBondContact O-CD2 3.29Å; L318-F322 WeakPolarHBondContact O-CG 2.81Å; L318-F322 PolarHBondContact O-N 2.71Å; L318-F342 HydrophobicContact CD2-CE1 4.11Å; L318-L346 HydrophobicContact CD1-CD1 3.56Å; L318-W352 HydrophobicContact CD1-CZ3 4.28Å; L318-F354 HydrophobicContact CB-CE1 3.82Å; L318-F354 HydrophobicContact CB-CZ 4.14Å
319	F	92.9	Very high	85.9	Confident	21 Å²	21	43.9 Å²	43.9	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-54.4	-53.4	170.1	172.8	-95.4	0	0	0	110.3	A315 M316 F321 F322 L323 F354 S356 P358 Y361	A315-F319 WeakPolarHBondContact O-CB 3.29Å; A315-F319 PolarHBondContact O-N 2.9Å; M316-F319 PolarHBondContact O-N 3Å; F319-F321 VanDerWaalsContact C-N 3.33Å; F319-F321 PolarHBondContact O-N 2.54Å; F319-F322 PolarHBondContact O-N 3.18Å; F319-L323 HydrophobicContact CE1-CD2 4.44Å; F319-L323 PolarHBondContact O-N 3.15Å; F319-F354 HydrophobicContact CB-CD1 4.04Å; F319-S356 VanDerWaalsContact CE2-O 3.25Å; F319-S356 WeakPolarHBondContact CE2-O 3.25Å; F319-P358 HydrophobicContact CD1-CG 3.9Å; F319-P358 HydrophobicContact CD2-CG 4.32Å; F319-P358 VanDerWaalsContact CE1-CD 3.49Å; F319-P358 HydrophobicContact CE1-CG 4.1Å; F319-P358 HydrophobicContact CE2-CG 4.5Å; F319-P358 HydrophobicContact CG-CG 4.03Å; F319-P358 VanDerWaalsContact CZ-CD 3.45Å; F319-P358 HydrophobicContact CZ-CG 4.4Å; F319-Y361 HydrophobicContact CD1-CE2 4.42Å; F319-Y361 HydrophobicContact CE1-CD2 4.45Å
320	N	92.7	Very high	88.1	Confident	34 Å²	34	43 Å²	43	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-44.3	177.7	-170.2	62.4	0	0	0	111.7	C272 N273 M316 A317 L318 F322 L323 L324	C272-N320 PolarHBondContact O-ND2 3.11Å; N273-N320 PolarHBondContact OD1-ND2 3.44Å; M316-N320 PolarHBondContact O-N 2.69Å; M316-N320 VanDerWaalsContact O-N 3.1Å; A317-N320 PolarHBondContact O-N 3.04Å; L318-N320 VanDerWaalsContact C-N 3.34Å; N320-F322 PolarHBondContact O-N 3.1Å; N320-L323 WeakPolarHBondContact O-CB 3.49Å; N320-L323 PolarHBondContact O-N 3.27Å; N320-L324 WeakPolarHBondContact O-CG 3.46Å; N320-L324 PolarHBondContact O-N 3.24Å
321	F	96.1	Very high	90.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-43.7	178.8	-178.5	-120.5	0	0	0	113.2	C272 L278 F285 F288 I289 A317 L318 F319 I325	C272-F321 HydrophobicContact CB-CB 3.92Å; L278-F321 HydrophobicContact CD2-CE2 4.45Å; F285-F321 AromaticContact CD1-CE2 3.66Å; F285-F321 HydrophobicContact CD1-CE2 3.66Å; F285-F321 HydrophobicContact CD1-CZ 4.07Å; F285-F321 HydrophobicContact CE1-CE2 4.04Å; F288-F321 HydrophobicContact CD1-CE1 4.24Å; F288-F321 HydrophobicContact CD1-CE2 4.37Å; F288-F321 AromaticContact CD1-CZ 3.81Å; F288-F321 HydrophobicContact CD1-CZ 3.81Å; F288-F321 HydrophobicContact CE1-CE1 4.09Å; F288-F321 HydrophobicContact CE1-CE2 4.27Å; F288-F321 AromaticContact CE1-CZ 3.92Å; F288-F321 HydrophobicContact CE1-CZ 3.92Å; I289-F321 HydrophobicContact CD1-CE1 4.1Å; I289-F321 HydrophobicContact CD1-CZ 4.26Å; I289-F321 HydrophobicContact CG1-CE1 3.78Å; I289-F321 HydrophobicContact CG1-CZ 4.07Å; A317-F321 WeakPolarHBondContact O-CB 3.41Å; A317-F321 PolarHBondContact O-N 3.25Å; L318-F321 HydrophobicContact CD2-CD1 4.36Å; L318-F321 PolarHBondContact O-N 3.21Å; F319-F321 VanDerWaalsContact C-N 3.33Å; F319-F321 PolarHBondContact O-N 2.54Å; F321-I325 HydrophobicContact CD1-CD1 4.17Å; F321-I325 HydrophobicContact CD2-CD1 4.12Å; F321-I325 HydrophobicContact CE1-CD1 3.6Å; F321-I325 HydrophobicContact CE2-CD1 3.55Å; F321-I325 HydrophobicContact CE2-CG1 4.2Å; F321-I325 HydrophobicContact CG-CD1 4.42Å; F321-I325 HydrophobicContact CZ-CD1 3.27Å; F321-I325 HydrophobicContact CZ-CG1 4.38Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 3.47Å
322	F	96.5	Very high	92	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176.9	-62.7	-39.6	0	0	0	111.4	L318 F319 N320 L324 I325 D326 S339 F342 K343 L346 F354	L318-F322 HydrophobicContact CB-CD2 4.5Å; L318-F322 HydrophobicContact CB-CE2 3.99Å; L318-F322 HydrophobicContact CB-CZ 4.4Å; L318-F322 WeakPolarHBondContact O-CD2 3.29Å; L318-F322 WeakPolarHBondContact O-CG 2.81Å; L318-F322 PolarHBondContact O-N 2.71Å; F319-F322 PolarHBondContact O-N 3.18Å; N320-F322 PolarHBondContact O-N 3.1Å; F322-L324 PolarHBondContact O-N 3.39Å; F322-I325 PolarHBondContact O-N 2.97Å; F322-D326 WeakPolarHBondContact O-CB 3.11Å; F322-D326 PolarHBondContact O-N 3.1Å; F322-S339 VanDerWaalsContact CD1-OG 3.29Å; F322-S339 WeakPolarHBondContact CD1-OG 3.39Å; F322-F342 AromaticContact CE1-CD1 3.87Å; F322-F342 HydrophobicContact CE1-CD1 3.87Å; F322-F342 AromaticContact CZ-CD1 3.9Å; F322-F342 HydrophobicContact CZ-CD1 3.9Å; F322-F342 HydrophobicContact CZ-CE1 4.32Å; F322-F342 HydrophobicContact CZ-CG 4.48Å; F322-K343 HydrophobicContact CB-CD 4.43Å; F322-K343 HydrophobicContact CD1-CB 4.19Å; F322-K343 HydrophobicContact CD2-CB 4.02Å; F322-K343 HydrophobicContact CD2-CD 4.2Å; F322-K343 HydrophobicContact CD2-CG 3.77Å; F322-K343 HydrophobicContact CE1-CB 4.01Å; F322-K343 HydrophobicContact CE2-CB 3.84Å; F322-K343 HydrophobicContact CE2-CG 3.89Å; F322-K343 HydrophobicContact CG-CB 4.2Å; F322-K343 HydrophobicContact CG-CD 4.29Å; F322-K343 HydrophobicContact CG-CG 4.21Å; F322-K343 HydrophobicContact CZ-CB 3.83Å; F322-K343 HydrophobicContact CZ-CG 4.4Å; F322-L346 HydrophobicContact CE2-CD1 4.48Å; F322-L346 HydrophobicContact CZ-CD1 4.15Å; F322-F354 HydrophobicContact CD2-CB 4.16Å; F322-F354 AromaticContact CD2-CD1 3.93Å; F322-F354 HydrophobicContact CD2-CD1 3.93Å; F322-F354 HydrophobicContact CD2-CD2 4.19Å; F322-F354 HydrophobicContact CD2-CE1 4.23Å; F322-F354 HydrophobicContact CD2-CE2 4.49Å; F322-F354 AromaticContact CD2-CG 3.87Å; F322-F354 HydrophobicContact CD2-CG 3.87Å; F322-F354 HydrophobicContact CD2-CZ 4.47Å; F322-F354 HydrophobicContact CE2-CD1 4.04Å; F322-F354 AromaticContact CE2-CD2 3.88Å; F322-F354 HydrophobicContact CE2-CD2 3.88Å; F322-F354 AromaticContact CE2-CE1 3.92Å; F322-F354 HydrophobicContact CE2-CE1 3.92Å; F322-F354 AromaticContact CE2-CE2 3.78Å; F322-F354 HydrophobicContact CE2-CE2 3.78Å; F322-F354 AromaticContact CE2-CG 3.99Å; F322-F354 HydrophobicContact CE2-CG 3.99Å; F322-F354 AromaticContact CE2-CZ 3.76Å; F322-F354 HydrophobicContact CE2-CZ 3.76Å
323	L	94.4	Very high	93	Very high	93 Å²	93	39 Å²	39	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-50.5	175.3	-178.1	65	0	0	0	111.4	F319 N320 I325 D326 S327	F319-L323 HydrophobicContact CE1-CD2 4.44Å; F319-L323 PolarHBondContact O-N 3.15Å; N320-L323 WeakPolarHBondContact O-CB 3.49Å; N320-L323 PolarHBondContact O-N 3.27Å; L323-I325 PolarHBondContact O-N 2.88Å; L323-D326 PolarHBondContact O-N 2.79Å; L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 3.45Å; L323-S327 PolarHBondContact O-OG 3.34Å; L323-S327 VanDerWaalsContact O-OG 3.04Å
324	L	94.6	Very high	93.5	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-42.1	179.2	-70.2	-179.5	0	0	0	112.5	C272 E275 L278 N320 F322 S327 S328	C272-L324 WeakPolarHBondContact O-CD1 3.28Å; E275-L324 HydrophobicContact CB-CD2 4.1Å; E275-L324 HydrophobicContact CG-CD2 4.25Å; L278-L324 HydrophobicContact CD1-CB 4.22Å; N320-L324 WeakPolarHBondContact O-CG 3.46Å; N320-L324 PolarHBondContact O-N 3.24Å; F322-L324 PolarHBondContact O-N 3.39Å; L324-S327 PolarHBondContact O-OG 3.1Å; L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.33Å
325	I	96.3	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.1	-41.2	178.1	-73.3	177.3	0	0	0	111.5	L278 I289 F321 F322 L323 L335 K336	L278-I325 HydrophobicContact CD1-CG1 4.08Å; L278-I325 HydrophobicContact CD2-CG1 3.94Å; I289-I325 HydrophobicContact CD1-CD1 4.45Å; F321-I325 HydrophobicContact CD1-CD1 4.17Å; F321-I325 HydrophobicContact CD2-CD1 4.12Å; F321-I325 HydrophobicContact CE1-CD1 3.6Å; F321-I325 HydrophobicContact CE2-CD1 3.55Å; F321-I325 HydrophobicContact CE2-CG1 4.2Å; F321-I325 HydrophobicContact CG-CD1 4.42Å; F321-I325 HydrophobicContact CZ-CD1 3.27Å; F321-I325 HydrophobicContact CZ-CG1 4.38Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 3.47Å; F322-I325 PolarHBondContact O-N 2.97Å; L323-I325 PolarHBondContact O-N 2.88Å; I325-L335 HydrophobicContact CD1-CD1 4.2Å; I325-L335 HydrophobicContact CD1-CD2 4.44Å; I325-L335 HydrophobicContact CD1-CG 4.2Å; I325-K336 HydrophobicContact CG2-CB 4.36Å; I325-K336 HydrophobicContact CG2-CG 3.91Å; I325-K336 WeakPolarHBondContact O-CE 3.47Å
326	D	94.4	Very high	94.3	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-42.4	-178	-73.5	-18.4	0	0	0	110.6	F322 L323 K336	F322-D326 WeakPolarHBondContact O-CB 3.11Å; F322-D326 PolarHBondContact O-N 3.1Å; L323-D326 PolarHBondContact O-N 2.79Å; D326-K336 PolarHBondContact O-NZ 2.83Å
327	S	93.1	Very high	94.8	Very high	65 Å²	65	52.9 Å²	52.9	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-75.8	-22.4	178.4	65.3	0	0	0	0	114.7	L323 L324 D329	L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 3.45Å; L323-S327 PolarHBondContact O-OG 3.34Å; L323-S327 VanDerWaalsContact O-OG 3.04Å; L324-S327 PolarHBondContact O-OG 3.1Å; S327-D329 PolarHBondContact O-N 2.74Å
328	S	93.7	Very high	95	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.021	29%	0.291	C	S	.	.			trans	-70.1	123.6	-175.7	175.2	0	0	0	0	112.8	L324 S330 A331 K336	L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.33Å; S328-S330 VanDerWaalsContact C-N 3.34Å; S328-S330 PolarHBondContact OG-N 2.69Å; S328-S330 PolarHBondContact OG-OG 3.45Å; S328-A331 PolarHBondContact OG-N 2.95Å; S328-A331 VanDerWaalsContact OG-N 3.11Å; S328-K336 WeakPolarHBondContact O-CE 3.48Å; S328-K336 PolarHBondContact O-NZ 3.1Å
329	D	92.6	Very high	95.2	Very high	167 Å²	167	55.7 Å²	55.7	89%	0.893	29%	0.291	S	S	*	.	S	Bend	trans	-75.9	-22.7	172.5	-71.7	-33.9	0	0	0	113.1	S327	S327-D329 PolarHBondContact O-N 2.74Å
330	S	93.6	Very high	95.4	Very high	71 Å²	71	56.7 Å²	56.7	50%	0.497	30%	0.303	S	S	.	.	S	Bend	trans	-88.8	-22.1	-176.6	65.8	0	0	0	0	113.2	G279 S328 S332	G279-S330 VanDerWaalsContact CA-O 3.29Å; G279-S330 WeakPolarHBondContact CA-O 3.4Å; S328-S330 VanDerWaalsContact C-N 3.34Å; S328-S330 PolarHBondContact OG-N 2.69Å; S328-S330 PolarHBondContact OG-OG 3.45Å; S330-S332 PolarHBondContact O-N 2.83Å
331	A	94.2	Very high	95.6	Very high	8 Å²	8	62.3 Å²	62.3	7%	0.066	33%	0.326	C	S	.	.	S	Bend	trans	-61.8	130.7	178.9	0	0	0	0	0	112.1	L278 S328 L335 K336	L278-A331 HydrophobicContact CB-CB 4.23Å; S328-A331 PolarHBondContact OG-N 2.95Å; S328-A331 VanDerWaalsContact OG-N 3.11Å; A331-L335 HydrophobicContact CB-CD2 4.29Å; A331-K336 HydrophobicContact CB-CG 4.33Å
332	S	95.8	Very high	95.7	Very high	38 Å²	38	62.5 Å²	62.5	27%	0.266	33%	0.327	S	S	.	.			trans	-61.2	148.2	-179.9	69.6	0	0	0	0	112.8	S282 S330 Q334 L335 K336	S282-S332 WeakPolarHBondContact OG-CB 3.32Å; S282-S332 PolarHBondContact OG-N 3.27Å; S282-S332 PolarHBondContact OG-OG 3.35Å; S330-S332 PolarHBondContact O-N 2.83Å; S332-Q334 PolarHBondContact O-N 2.86Å; S332-Q334 VanDerWaalsContact O-N 3.14Å; S332-L335 WeakPolarHBondContact O-CB 3.34Å; S332-L335 PolarHBondContact O-N 2.88Å; S332-L335 VanDerWaalsContact OG-CB 3.31Å; S332-L335 WeakPolarHBondContact OG-CB 3.45Å; S332-L335 PolarHBondContact OG-N 3.4Å; S332-K336 PolarHBondContact O-N 3.16Å
333	V	95.7	Very high	95.7	Very high	109 Å²	109	63.5 Å²	63.5	66%	0.661	33%	0.331	S	S	*	.	H	α-helix	trans	-55.7	-34.7	176.2	178.2	0	0	0	0	111.7	R337	V333-R337 VanDerWaalsContact O-CG 3.28Å; V333-R337 WeakPolarHBondContact O-CG 3.45Å; V333-R337 PolarHBondContact O-N 3.2Å
334	Q	95.9	Very high	95.8	Very high	150 Å²	150	64.2 Å²	64.2	70%	0.701	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-42.7	178.2	-62.7	-179.1	10.8	0	0	111.6	S332 R337 K338	S332-Q334 PolarHBondContact O-N 2.86Å; S332-Q334 VanDerWaalsContact O-N 3.14Å; Q334-R337 PolarHBondContact O-N 3.35Å; Q334-K338 WeakPolarHBondContact O-CB 3.4Å; Q334-K338 PolarHBondContact O-N 2.71Å
335	L	97.1	Very high	95.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-49.4	175.5	178	58.9	0	0	0	110.9	L278 F285 A286 I289 I325 A331 S332 R337 K338 S339	L278-L335 HydrophobicContact CD2-CD2 4.31Å; F285-L335 HydrophobicContact CB-CD1 3.75Å; F285-L335 HydrophobicContact CB-CD2 3.81Å; F285-L335 HydrophobicContact CB-CG 4.46Å; A286-L335 HydrophobicContact CB-CD1 4.28Å; I289-L335 HydrophobicContact CD1-CD1 3.64Å; I325-L335 HydrophobicContact CD1-CD1 4.2Å; I325-L335 HydrophobicContact CD1-CD2 4.44Å; I325-L335 HydrophobicContact CD1-CG 4.2Å; A331-L335 HydrophobicContact CB-CD2 4.29Å; S332-L335 WeakPolarHBondContact O-CB 3.34Å; S332-L335 PolarHBondContact O-N 2.88Å; S332-L335 VanDerWaalsContact OG-CB 3.31Å; S332-L335 WeakPolarHBondContact OG-CB 3.45Å; S332-L335 PolarHBondContact OG-N 3.4Å; L335-R337 VanDerWaalsContact C-N 3.34Å; L335-R337 PolarHBondContact O-N 3.17Å; L335-K338 PolarHBondContact O-N 2.95Å; L335-K338 VanDerWaalsContact O-N 3.08Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 3.11Å
336	K	97.5	Very high	95.6	Very high	61 Å²	61	65.2 Å²	65.2	27%	0.265	35%	0.346	S	S	.	.	H	α-helix	trans	-55.6	-46.7	176.8	-64.5	-162.1	179	-155.8	0	112.2	I325 D326 S328 A331 S332 K338 S339 A340	I325-K336 HydrophobicContact CG2-CB 4.36Å; I325-K336 HydrophobicContact CG2-CG 3.91Å; I325-K336 WeakPolarHBondContact O-CE 3.47Å; D326-K336 PolarHBondContact O-NZ 2.83Å; S328-K336 WeakPolarHBondContact O-CE 3.48Å; S328-K336 PolarHBondContact O-NZ 3.1Å; A331-K336 HydrophobicContact CB-CG 4.33Å; S332-K336 PolarHBondContact O-N 3.16Å; K336-K338 VanDerWaalsContact C-N 3.32Å; K336-K338 PolarHBondContact O-N 3.44Å; K336-S339 WeakPolarHBondContact O-CB 3.22Å; K336-S339 PolarHBondContact O-N 2.69Å; K336-A340 PolarHBondContact O-N 3.13Å
337	R	97.2	Very high	95.5	Very high	173 Å²	173	63.2 Å²	63.2	65%	0.653	34%	0.338	S	S	*	.	H	α-helix	trans	-63.2	-36.6	177.3	-70.6	177.6	88.9	177.1	9.4	112.9	V333 Q334 L335 K341	V333-R337 VanDerWaalsContact O-CG 3.28Å; V333-R337 WeakPolarHBondContact O-CG 3.45Å; V333-R337 PolarHBondContact O-N 3.2Å; Q334-R337 PolarHBondContact O-N 3.35Å; L335-R337 VanDerWaalsContact C-N 3.34Å; L335-R337 PolarHBondContact O-N 3.17Å; R337-K341 WeakPolarHBondContact O-CG 3.22Å; R337-K341 PolarHBondContact O-N 3.37Å
338	K	97.3	Very high	95.4	Very high	72 Å²	72	64.4 Å²	64.4	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-40.6	178.6	-159.5	176.8	-172.4	174.2	0	111.2	A286 I289 Q334 L335 K336 K341 F342	A286-K338 HydrophobicContact CB-CD 4Å; A286-K338 VanDerWaalsContact O-CE 3.26Å; A286-K338 WeakPolarHBondContact O-CE 3.45Å; A286-K338 PolarHBondContact O-NZ 3.17Å; I289-K338 HydrophobicContact CB-CD 4.46Å; I289-K338 HydrophobicContact CD1-CB 4.44Å; I289-K338 HydrophobicContact CG2-CD 4.28Å; I289-K338 HydrophobicContact CG2-CG 3.95Å; Q334-K338 WeakPolarHBondContact O-CB 3.4Å; Q334-K338 PolarHBondContact O-N 2.71Å; L335-K338 PolarHBondContact O-N 2.95Å; L335-K338 VanDerWaalsContact O-N 3.08Å; K336-K338 VanDerWaalsContact C-N 3.32Å; K336-K338 PolarHBondContact O-N 3.44Å; K338-K341 PolarHBondContact O-N 2.81Å; K338-F342 WeakPolarHBondContact O-CB 3.3Å; K338-F342 PolarHBondContact O-N 3.23Å
339	S	97.6	Very high	95.1	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.007	36%	0.364	C	S	.	.	H	α-helix	trans	-57	-53.3	173.5	-176.3	0	0	0	0	111.4	F322 L335 K336 K341 F342 K343	F322-S339 VanDerWaalsContact CD1-OG 3.29Å; F322-S339 WeakPolarHBondContact CD1-OG 3.39Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 3.11Å; K336-S339 WeakPolarHBondContact O-CB 3.22Å; K336-S339 PolarHBondContact O-N 2.69Å; S339-K341 VanDerWaalsContact C-N 3.33Å; S339-K341 PolarHBondContact O-N 2.92Å; S339-F342 WeakPolarHBondContact O-CA 3.43Å; S339-F342 WeakPolarHBondContact O-CB 3.4Å; S339-F342 PolarHBondContact O-N 3.17Å; S339-K343 PolarHBondContact O-N 3.02Å
340	A	97.3	Very high	94.8	Very high	41 Å²	41	61 Å²	61	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-58.1	-41.6	178.5	0	0	0	0	0	113.1	K336 F342 N344	K336-A340 PolarHBondContact O-N 3.13Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.34Å; A340-N344 PolarHBondContact O-N 3.48Å; A340-N344 VanDerWaalsContact O-N 3.09Å; A340-N344 PolarHBondContact O-ND2 3.48Å
341	K	97.6	Very high	94.5	Very high	153 Å²	153	60.8 Å²	60.8	67%	0.665	34%	0.337	S	S	*	.	H	α-helix	trans	-63.9	-39.1	174.8	-74.6	179.9	180	-176.1	0	112.3	R337 K338 S339 A345	R337-K341 WeakPolarHBondContact O-CG 3.22Å; R337-K341 PolarHBondContact O-N 3.37Å; K338-K341 PolarHBondContact O-N 2.81Å; S339-K341 VanDerWaalsContact C-N 3.33Å; S339-K341 PolarHBondContact O-N 2.92Å; K341-A345 WeakPolarHBondContact O-CB 3.32Å; K341-A345 PolarHBondContact O-N 2.93Å
342	F	97.4	Very high	94.2	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.022	34%	0.341	C	S	.	.	H	α-helix	trans	-69.3	-45.4	179.5	-178.4	-139.4	0	0	0	111.7	I289 L292 H293 L296 L318 F322 K338 S339 A340 N344 A345 L346	I289-F342 HydrophobicContact CB-CD1 4.41Å; I289-F342 HydrophobicContact CG1-CD1 4.27Å; I289-F342 HydrophobicContact CG2-CB 3.66Å; I289-F342 HydrophobicContact CG2-CD1 3.73Å; I289-F342 HydrophobicContact CG2-CG 3.74Å; L292-F342 HydrophobicContact CB-CE1 4.22Å; L292-F342 HydrophobicContact CB-CZ 3.84Å; H293-F342 HydrophobicContact CB-CD2 3.94Å; H293-F342 HydrophobicContact CB-CE2 3.81Å; L296-F342 HydrophobicContact CD1-CZ 4.06Å; L318-F342 HydrophobicContact CD2-CE1 4.11Å; F322-F342 AromaticContact CE1-CD1 3.87Å; F322-F342 HydrophobicContact CE1-CD1 3.87Å; F322-F342 AromaticContact CZ-CD1 3.9Å; F322-F342 HydrophobicContact CZ-CD1 3.9Å; F322-F342 HydrophobicContact CZ-CE1 4.32Å; F322-F342 HydrophobicContact CZ-CG 4.48Å; K338-F342 WeakPolarHBondContact O-CB 3.3Å; K338-F342 PolarHBondContact O-N 3.23Å; S339-F342 WeakPolarHBondContact O-CA 3.43Å; S339-F342 WeakPolarHBondContact O-CB 3.4Å; S339-F342 PolarHBondContact O-N 3.17Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.34Å; F342-N344 VanDerWaalsContact C-N 3.35Å; F342-N344 PolarHBondContact O-N 2.99Å; F342-A345 PolarHBondContact O-N 2.95Å; F342-A345 VanDerWaalsContact O-N 3.14Å; F342-L346 HydrophobicContact CD1-CD1 4.47Å; F342-L346 HydrophobicContact CD2-CD1 4.19Å; F342-L346 HydrophobicContact CD2-CD2 4.49Å; F342-L346 HydrophobicContact CD2-CG 3.99Å; F342-L346 HydrophobicContact CE1-CD1 4Å; F342-L346 HydrophobicContact CE2-CD1 3.68Å; F342-L346 HydrophobicContact CE2-CD2 3.76Å; F342-L346 HydrophobicContact CE2-CG 3.63Å; F342-L346 HydrophobicContact CZ-CD1 3.58Å; F342-L346 HydrophobicContact CZ-CD2 4.27Å; F342-L346 HydrophobicContact CZ-CG 4.08Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.91Å
343	K	96.8	Very high	93.8	Very high	22 Å²	22	64.8 Å²	64.8	10%	0.096	35%	0.352	C	S	.	.	H	α-helix	trans	-48.9	-55.1	170.9	-174.4	-176.9	-170	176.9	0	110.9	F322 S339 A345 L346 S347 F354 D355	F322-K343 HydrophobicContact CB-CD 4.43Å; F322-K343 HydrophobicContact CD1-CB 4.19Å; F322-K343 HydrophobicContact CD2-CB 4.02Å; F322-K343 HydrophobicContact CD2-CD 4.2Å; F322-K343 HydrophobicContact CD2-CG 3.77Å; F322-K343 HydrophobicContact CE1-CB 4.01Å; F322-K343 HydrophobicContact CE2-CB 3.84Å; F322-K343 HydrophobicContact CE2-CG 3.89Å; F322-K343 HydrophobicContact CG-CB 4.2Å; F322-K343 HydrophobicContact CG-CD 4.29Å; F322-K343 HydrophobicContact CG-CG 4.21Å; F322-K343 HydrophobicContact CZ-CB 3.83Å; F322-K343 HydrophobicContact CZ-CG 4.4Å; S339-K343 PolarHBondContact O-N 3.02Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 3.23Å; K343-L346 PolarHBondContact O-N 3.4Å; K343-L346 VanDerWaalsContact O-N 3.15Å; K343-S347 PolarHBondContact O-N 2.7Å; K343-S347 PolarHBondContact O-OG 3.46Å; K343-F354 HydrophobicContact CD-CB 4.25Å; K343-F354 WeakPolarHBondContact CE-O 3.44Å; K343-F354 HydrophobicContact CG-CB 4.06Å; K343-F354 HydrophobicContact CG-CD2 3.91Å; K343-F354 HydrophobicContact CG-CG 4.32Å; K343-F354 PolarHBondContact NZ-O 3.04Å; K343-F354 VanDerWaalsContact NZ-O 3.13Å; K343-D355 WeakPolarHBondContact CE-OD1 3.35Å; K343-D355 IonicContact NZ-OD1 2.84Å; K343-D355 PolarHBondContact NZ-OD1 3.21Å
344	N	96.1	Very high	93.5	Very high	107 Å²	107	59.9 Å²	59.9	57%	0.572	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-39.9	179.8	-67.4	-13.7	0	0	0	113	A340 F342 L346 A348	A340-N344 PolarHBondContact O-N 3.48Å; A340-N344 VanDerWaalsContact O-N 3.09Å; A340-N344 PolarHBondContact O-ND2 3.48Å; F342-N344 VanDerWaalsContact C-N 3.35Å; F342-N344 PolarHBondContact O-N 2.99Å; N344-L346 VanDerWaalsContact C-N 3.33Å; N344-A348 VanDerWaalsContact O-CB 3.31Å; N344-A348 WeakPolarHBondContact O-CB 3.31Å; N344-A348 PolarHBondContact O-N 3.08Å
345	A	94.6	Very high	93.1	Very high	38 Å²	38	59 Å²	59	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178.1	0	0	0	0	0	112.1	K341 F342 K343 K349	K341-A345 WeakPolarHBondContact O-CB 3.32Å; K341-A345 PolarHBondContact O-N 2.93Å; F342-A345 PolarHBondContact O-N 2.95Å; F342-A345 VanDerWaalsContact O-N 3.14Å; K343-A345 VanDerWaalsContact C-N 3.33Å; K343-A345 PolarHBondContact O-N 3.23Å; A345-K349 WeakPolarHBondContact O-CB 3.35Å; A345-K349 PolarHBondContact O-N 2.99Å
346	L	92.2	Very high	92.5	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-72	-44.1	177.2	-68.8	-177.7	0	0	0	112.3	L296 L318 F322 F342 K343 N344 A348 K349 Y350 W352 F354	L296-L346 HydrophobicContact CB-CD2 4.09Å; L296-L346 HydrophobicContact CD1-CD1 4.18Å; L296-L346 HydrophobicContact CD1-CD2 3.69Å; L318-L346 HydrophobicContact CD1-CD1 3.56Å; F322-L346 HydrophobicContact CE2-CD1 4.48Å; F322-L346 HydrophobicContact CZ-CD1 4.15Å; F342-L346 HydrophobicContact CD1-CD1 4.47Å; F342-L346 HydrophobicContact CD2-CD1 4.19Å; F342-L346 HydrophobicContact CD2-CD2 4.49Å; F342-L346 HydrophobicContact CD2-CG 3.99Å; F342-L346 HydrophobicContact CE1-CD1 4Å; F342-L346 HydrophobicContact CE2-CD1 3.68Å; F342-L346 HydrophobicContact CE2-CD2 3.76Å; F342-L346 HydrophobicContact CE2-CG 3.63Å; F342-L346 HydrophobicContact CZ-CD1 3.58Å; F342-L346 HydrophobicContact CZ-CD2 4.27Å; F342-L346 HydrophobicContact CZ-CG 4.08Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.91Å; K343-L346 PolarHBondContact O-N 3.4Å; K343-L346 VanDerWaalsContact O-N 3.15Å; N344-L346 VanDerWaalsContact C-N 3.33Å; L346-A348 VanDerWaalsContact C-N 3.28Å; L346-A348 PolarHBondContact O-N 3.42Å; L346-K349 PolarHBondContact O-N 2.89Å; L346-Y350 HydrophobicContact CD2-CD2 3.99Å; L346-Y350 HydrophobicContact CD2-CE2 3.89Å; L346-Y350 PolarHBondContact O-N 3.23Å; L346-W352 HydrophobicContact CB-CE3 4.41Å; L346-W352 HydrophobicContact CD1-CZ3 4.48Å; L346-F354 HydrophobicContact CB-CE2 3.79Å; L346-F354 HydrophobicContact CB-CZ 4.29Å; L346-F354 HydrophobicContact CD1-CE2 4.34Å; L346-F354 HydrophobicContact CD1-CZ 4.18Å
347	S	91.7	Very high	91.5	Very high	36 Å²	36	63 Å²	63	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-58.2	-42.6	174	-63	0	0	0	0	111.3	K343 G351 W352 F354	K343-S347 PolarHBondContact O-N 2.7Å; K343-S347 PolarHBondContact O-OG 3.46Å; S347-G351 WeakPolarHBondContact O-CA 3.46Å; S347-G351 PolarHBondContact O-N 3.16Å; S347-W352 WeakPolarHBondContact CA-O 3.4Å; S347-W352 VanDerWaalsContact CB-O 3.27Å; S347-W352 WeakPolarHBondContact CB-O 3.43Å; S347-W352 PolarHBondContact OG-O 2.77Å; S347-F354 WeakPolarHBondContact OG-CD2 3.35Å
348	A	91.3	Very high	90.6	Very high	91 Å²	91	56 Å²	56	75%	0.752	33%	0.331	S	S	*	.	H	α-helix	trans	-66.9	-37.6	176.6	0	0	0	0	0	113.3	N344 L346	N344-A348 VanDerWaalsContact O-CB 3.31Å; N344-A348 WeakPolarHBondContact O-CB 3.31Å; N344-A348 PolarHBondContact O-N 3.08Å; L346-A348 VanDerWaalsContact C-N 3.28Å; L346-A348 PolarHBondContact O-N 3.42Å
349	K	88.4	Confident	89.6	Confident	64 Å²	64	59 Å²	59	28%	0.278	35%	0.35	S	S	.	.	H	α-helix	trans	-79.3	-43.3	-177.9	-177.5	175.1	175.1	-168.6	0	112.7	L296 K297 T299 Q301 A345 L346	L296-K349 PolarHBondContact O-NZ 3.41Å; K297-K349 VanDerWaalsContact C-NZ 3.3Å; K297-K349 PolarHBondContact O-NZ 3.49Å; T299-K349 PolarHBondContact O-NZ 2.84Å; Q301-K349 PolarHBondContact NE2-O 3.26Å; A345-K349 WeakPolarHBondContact O-CB 3.35Å; A345-K349 PolarHBondContact O-N 2.99Å; L346-K349 PolarHBondContact O-N 2.89Å
350	Y	86.2	Confident	88.4	Confident	33 Å²	33	64.9 Å²	64.9	13%	0.129	38%	0.378	C	S	.	.	H	α-helix	trans	-109.6	-9	-169.7	-67	-75	0	0	0	113.9	L296 T299 Q301 F304 L346 W352	L296-Y350 HydrophobicContact CB-CE2 4.32Å; L296-Y350 PolarHBondContact O-OH 3.01Å; T299-Y350 PolarHBondContact O-OH 3.19Å; Q301-Y350 HydrophobicContact CB-CE1 4.45Å; Q301-Y350 HydrophobicContact CG-CD1 3.95Å; Q301-Y350 HydrophobicContact CG-CE1 3.88Å; F304-Y350 HydrophobicContact CD2-CD1 4.31Å; F304-Y350 AromaticContact CD2-CE1 3.66Å; F304-Y350 HydrophobicContact CD2-CE1 3.66Å; F304-Y350 AromaticContact CE2-CE1 3.76Å; F304-Y350 HydrophobicContact CE2-CE1 3.76Å; F304-Y350 AromaticContact CE2-CZ 3.8Å; L346-Y350 HydrophobicContact CD2-CD2 3.99Å; L346-Y350 HydrophobicContact CD2-CE2 3.89Å; L346-Y350 PolarHBondContact O-N 3.23Å; Y350-W352 HydrophobicContact CD1-CH2 4.5Å; Y350-W352 HydrophobicContact CD1-CZ2 4.1Å; Y350-W352 HydrophobicContact CD2-CD2 4.49Å; Y350-W352 HydrophobicContact CD2-CE3 4.18Å; Y350-W352 HydrophobicContact CD2-CH2 4.08Å; Y350-W352 HydrophobicContact CD2-CZ2 4.34Å; Y350-W352 HydrophobicContact CD2-CZ3 4.01Å; Y350-W352 HydrophobicContact CE2-CH2 4.41Å; Y350-W352 HydrophobicContact CG-CD2 4.19Å; Y350-W352 AromaticContact CG-CE2 3.94Å; Y350-W352 HydrophobicContact CG-CE3 4.33Å; Y350-W352 HydrophobicContact CG-CH2 4.13Å; Y350-W352 AromaticContact CG-CZ2 3.92Å; Y350-W352 HydrophobicContact CG-CZ2 3.92Å; Y350-W352 HydrophobicContact CG-CZ3 4.34Å; Y350-W352 PolarHBondContact O-N 3.04Å
351	G	86.6	Confident	87.4	Confident	67 Å²	67	68.8 Å²	68.8	69%	0.691	39%	0.385	S	S	*	.			trans	69.9	18.7	-173.7	0	0	0	0	0	113.4	S347	S347-G351 WeakPolarHBondContact O-CA 3.46Å; S347-G351 PolarHBondContact O-N 3.16Å
352	W	87.3	Confident	86.4	Confident	38 Å²	38	66.3 Å²	66.3	14%	0.144	38%	0.375	C	S	.	.			trans	-74.9	129.5	177.8	-63	-19.9	0	0	0	111.1	F304 N312 L314 A315 L318 L346 S347 Y350 F354	F304-W352 HydrophobicContact CB-CZ2 4.47Å; F304-W352 HydrophobicContact CD2-CZ2 4.38Å; F304-W352 HydrophobicContact CG-CZ2 4.31Å; N312-W352 VanDerWaalsContact ND2-CE2 3.26Å; N312-W352 WeakPolarHBondContact ND2-CZ2 3.37Å; N312-W352 PolarHBondContact ND2-NE1 3.29Å; L314-W352 HydrophobicContact CD2-CH2 3.76Å; L314-W352 HydrophobicContact CD2-CZ3 4.26Å; L314-W352 HydrophobicContact CG-CH2 4.2Å; L314-W352 HydrophobicContact CG-CZ3 4.41Å; A315-W352 HydrophobicContact CB-CD2 4.12Å; A315-W352 HydrophobicContact CB-CE3 4.39Å; A315-W352 HydrophobicContact CB-CG 4.42Å; L318-W352 HydrophobicContact CD1-CZ3 4.28Å; L346-W352 HydrophobicContact CB-CE3 4.41Å; L346-W352 HydrophobicContact CD1-CZ3 4.48Å; S347-W352 WeakPolarHBondContact CA-O 3.4Å; S347-W352 VanDerWaalsContact CB-O 3.27Å; S347-W352 WeakPolarHBondContact CB-O 3.43Å; S347-W352 PolarHBondContact OG-O 2.77Å; Y350-W352 HydrophobicContact CD1-CH2 4.5Å; Y350-W352 HydrophobicContact CD1-CZ2 4.1Å; Y350-W352 HydrophobicContact CD2-CD2 4.49Å; Y350-W352 HydrophobicContact CD2-CE3 4.18Å; Y350-W352 HydrophobicContact CD2-CH2 4.08Å; Y350-W352 HydrophobicContact CD2-CZ2 4.34Å; Y350-W352 HydrophobicContact CD2-CZ3 4.01Å; Y350-W352 HydrophobicContact CE2-CH2 4.41Å; Y350-W352 HydrophobicContact CG-CD2 4.19Å; Y350-W352 AromaticContact CG-CE2 3.94Å; Y350-W352 HydrophobicContact CG-CE3 4.33Å; Y350-W352 HydrophobicContact CG-CH2 4.13Å; Y350-W352 AromaticContact CG-CZ2 3.92Å; Y350-W352 HydrophobicContact CG-CZ2 3.92Å; Y350-W352 HydrophobicContact CG-CZ3 4.34Å; Y350-W352 PolarHBondContact O-N 3.04Å; W352-F354 HydrophobicContact CB-CD2 4.4Å; W352-F354 HydrophobicContact CB-CE1 4.47Å; W352-F354 HydrophobicContact CB-CE2 3.87Å; W352-F354 HydrophobicContact CB-CZ 3.96Å; W352-F354 HydrophobicContact CD2-CZ 4.34Å; W352-F354 HydrophobicContact CE3-CE1 4.43Å; W352-F354 HydrophobicContact CE3-CE2 4.2Å; W352-F354 AromaticContact CE3-CZ 3.57Å; W352-F354 HydrophobicContact CE3-CZ 3.57Å; W352-F354 HydrophobicContact CZ3-CZ 4.42Å
353	D	87.8	Confident	85.6	Confident	93 Å²	93	71.3 Å²	71.3	50%	0.497	41%	0.408	S	S	.	.			trans	-89.4	124.4	169.6	-175.2	1.4	0	0	0	109.3	D355 S356	D353-D355 PolarHBondContact OD1-N 3.16Å; D353-S356 PolarHBondContact OD1-N 3.46Å; D353-S356 WeakPolarHBondContact OD2-CB 3.28Å; D353-S356 PolarHBondContact OD2-OG 3.25Å
354	F	89.8	Confident	84.9	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.026	44%	0.442	C	S	.	.	S	Bend	trans	-119.1	7.7	178.9	-64.6	-68.7	0	0	0	112.3	A315 L318 F319 F322 K343 L346 S347 W352	A315-F354 WeakPolarHBondContact O-CE1 3.44Å; L318-F354 HydrophobicContact CB-CE1 3.82Å; L318-F354 HydrophobicContact CB-CZ 4.14Å; F319-F354 HydrophobicContact CB-CD1 4.04Å; F322-F354 HydrophobicContact CD2-CB 4.16Å; F322-F354 AromaticContact CD2-CD1 3.93Å; F322-F354 HydrophobicContact CD2-CD1 3.93Å; F322-F354 HydrophobicContact CD2-CD2 4.19Å; F322-F354 HydrophobicContact CD2-CE1 4.23Å; F322-F354 HydrophobicContact CD2-CE2 4.49Å; F322-F354 AromaticContact CD2-CG 3.87Å; F322-F354 HydrophobicContact CD2-CG 3.87Å; F322-F354 HydrophobicContact CD2-CZ 4.47Å; F322-F354 HydrophobicContact CE2-CD1 4.04Å; F322-F354 AromaticContact CE2-CD2 3.88Å; F322-F354 HydrophobicContact CE2-CD2 3.88Å; F322-F354 AromaticContact CE2-CE1 3.92Å; F322-F354 HydrophobicContact CE2-CE1 3.92Å; F322-F354 AromaticContact CE2-CE2 3.78Å; F322-F354 HydrophobicContact CE2-CE2 3.78Å; F322-F354 AromaticContact CE2-CG 3.99Å; F322-F354 HydrophobicContact CE2-CG 3.99Å; F322-F354 AromaticContact CE2-CZ 3.76Å; F322-F354 HydrophobicContact CE2-CZ 3.76Å; K343-F354 HydrophobicContact CD-CB 4.25Å; K343-F354 WeakPolarHBondContact CE-O 3.44Å; K343-F354 HydrophobicContact CG-CB 4.06Å; K343-F354 HydrophobicContact CG-CD2 3.91Å; K343-F354 HydrophobicContact CG-CG 4.32Å; K343-F354 PolarHBondContact NZ-O 3.04Å; K343-F354 VanDerWaalsContact NZ-O 3.13Å; L346-F354 HydrophobicContact CB-CE2 3.79Å; L346-F354 HydrophobicContact CB-CZ 4.29Å; L346-F354 HydrophobicContact CD1-CE2 4.34Å; L346-F354 HydrophobicContact CD1-CZ 4.18Å; S347-F354 WeakPolarHBondContact OG-CD2 3.35Å; W352-F354 HydrophobicContact CB-CD2 4.4Å; W352-F354 HydrophobicContact CB-CE1 4.47Å; W352-F354 HydrophobicContact CB-CE2 3.87Å; W352-F354 HydrophobicContact CB-CZ 3.96Å; W352-F354 HydrophobicContact CD2-CZ 4.34Å; W352-F354 HydrophobicContact CE3-CE1 4.43Å; W352-F354 HydrophobicContact CE3-CE2 4.2Å; W352-F354 AromaticContact CE3-CZ 3.57Å; W352-F354 HydrophobicContact CE3-CZ 3.57Å; W352-F354 HydrophobicContact CZ3-CZ 4.42Å
355	D	87.8	Confident	84.2	Confident	131 Å²	131	78.7 Å²	78.7	70%	0.701	45%	0.452	S	S	*	.	S	Bend	trans	-100.9	-28.9	177.2	-64.6	-50	0	0	0	110.9	K343 D353	K343-D355 WeakPolarHBondContact CE-OD1 3.35Å; K343-D355 IonicContact NZ-OD1 2.84Å; K343-D355 PolarHBondContact NZ-OD1 3.21Å; D353-D355 PolarHBondContact OD1-N 3.16Å
356	S	83.4	Confident	83.4	Confident	68 Å²	68	83 Å²	83	48%	0.476	47%	0.473	S	S	.	.	S	Bend	trans	-82.5	138.9	173.1	-59	0	0	0	0	112	F319 D353 P358	F319-S356 VanDerWaalsContact CE2-O 3.25Å; F319-S356 WeakPolarHBondContact CE2-O 3.25Å; D353-S356 PolarHBondContact OD1-N 3.46Å; D353-S356 WeakPolarHBondContact OD2-CB 3.28Å; D353-S356 PolarHBondContact OD2-OG 3.25Å; S356-P358 WeakPolarHBondContact O-CD 3.42Å
357	V	78.1	Confident	82.3	Confident	77 Å²	77	94.7 Å²	94.7	47%	0.467	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.1	122.3	173.9	-179.9	0	0	0	0	109.1	Q362	V357-Q362 HydrophobicContact CG1-CG 4.35Å; V357-Q362 PolarHBondContact O-NE2 3.28Å; V357-Q362 VanDerWaalsContact O-NE2 3.12Å
358	P	77.9	Confident	81.9	Confident	26 Å²	26	97.7 Å²	97.7	17%	0.169	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-54.8	145.1	176.5	-25.9	31.9	0	0	0	112.5	M316 F319 S356 E360 Y361 Q362	M316-P358 HydrophobicContact CE-CB 3.6Å; M316-P358 HydrophobicContact CE-CG 3.87Å; M316-P358 HydrophobicContact SD-CB 3.55Å; M316-P358 VanDerWaalsContact SD-CB 3.55Å; M316-P358 HydrophobicContact SD-CG 3.57Å; M316-P358 VanDerWaalsContact SD-CG 3.57Å; F319-P358 HydrophobicContact CD1-CG 3.9Å; F319-P358 HydrophobicContact CD2-CG 4.32Å; F319-P358 VanDerWaalsContact CE1-CD 3.49Å; F319-P358 HydrophobicContact CE1-CG 4.1Å; F319-P358 HydrophobicContact CE2-CG 4.5Å; F319-P358 HydrophobicContact CG-CG 4.03Å; F319-P358 VanDerWaalsContact CZ-CD 3.45Å; F319-P358 HydrophobicContact CZ-CG 4.4Å; S356-P358 WeakPolarHBondContact O-CD 3.42Å; P358-E360 PolarHBondContact O-N 3.44Å; P358-E360 VanDerWaalsContact O-N 3.09Å; P358-Y361 HydrophobicContact CB-CD2 3.89Å; P358-Y361 HydrophobicContact CB-CE2 4.42Å; P358-Y361 HydrophobicContact CG-CD2 3.83Å; P358-Y361 HydrophobicContact CG-CE2 4.17Å; P358-Y361 PolarHBondContact O-N 2.92Å; P358-Q362 PolarHBondContact O-N 3.38Å
359	D	76.1	Confident	81.4	Confident	135 Å²	135	98 Å²	98	72%	0.722	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-54	-33.7	-179	-65.4	-18.4	0	0	0	112.8	Y361 Q362	D359-Y361 PolarHBondContact O-N 3.26Å; D359-Q362 PolarHBondContact O-N 2.99Å; D359-Q362 VanDerWaalsContact O-N 3.12Å; D359-Q362 PolarHBondContact OD1-NE2 3.4Å; D359-Q362 VanDerWaalsContact OD1-NE2 3.09Å
360	E	73.2	Confident	81	Confident	125 Å²	125	99.9 Å²	99.9	58%	0.584	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-62	-24.4	176.9	-171	173.2	-174.7	0	0	113.5	N311 M316 P358	N311-E360 PolarHBondContact ND2-OE2 2.6Å; M316-E360 HydrophobicContact CE-CB 4.15Å; P358-E360 PolarHBondContact O-N 3.44Å; P358-E360 VanDerWaalsContact O-N 3.09Å
361	Y	75.2	Confident	80.7	Confident	123 Å²	123	103.8 Å²	103.8	48%	0.482	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-102.2	-0.2	178	-60.2	-57.8	0	0	0	113.4	M316 F319 P358 D359	M316-Y361 HydrophobicContact CE-CD2 3.8Å; M316-Y361 HydrophobicContact CE-CE2 3.16Å; M316-Y361 HydrophobicContact SD-CE2 4.49Å; F319-Y361 HydrophobicContact CD1-CE2 4.42Å; F319-Y361 HydrophobicContact CE1-CD2 4.45Å; P358-Y361 HydrophobicContact CB-CD2 3.89Å; P358-Y361 HydrophobicContact CB-CE2 4.42Å; P358-Y361 HydrophobicContact CG-CD2 3.83Å; P358-Y361 HydrophobicContact CG-CE2 4.17Å; P358-Y361 PolarHBondContact O-N 2.92Å; D359-Y361 PolarHBondContact O-N 3.26Å
362	Q	77.5	Confident	80.3	Confident	101 Å²	101	106.1 Å²	106.1	47%	0.472	56%	0.562	S	S	.	*	S	Bend	trans	-76.5	139.6	177.2	-69	178.9	22.7	0	0	110.3	V357 P358 D359 V364	V357-Q362 HydrophobicContact CG1-CG 4.35Å; V357-Q362 PolarHBondContact O-NE2 3.28Å; V357-Q362 VanDerWaalsContact O-NE2 3.12Å; P358-Q362 PolarHBondContact O-N 3.38Å; D359-Q362 PolarHBondContact O-N 2.99Å; D359-Q362 VanDerWaalsContact O-N 3.12Å; D359-Q362 PolarHBondContact OD1-NE2 3.4Å; D359-Q362 VanDerWaalsContact OD1-NE2 3.09Å; Q362-V364 PolarHBondContact O-N 2.99Å
363	P	79.5	Confident	79.8	Confident	110 Å²	110	110.7 Å²	110.7	71%	0.714	59%	0.59	S	S	*	*			trans	-64.3	135.8	175.7	27	-33.3	0	0	0	110.1	I365	P363-I365 PolarHBondContact O-N 2.91Å; P363-I365 VanDerWaalsContact O-N 3.09Å
364	V	82.8	Confident	79.3	Confident	133 Å²	133	111.9 Å²	111.9	81%	0.806	60%	0.596	S	S	*	*			trans	-70.8	106.7	170.4	-178.3	0	0	0	0	108	Q362 V366	Q362-V364 PolarHBondContact O-N 2.99Å; V364-V366 HydrophobicContact CG1-CG2 4.18Å; V364-V366 PolarHBondContact O-N 2.78Å
365	I	81.2	Confident	78.5	Confident	151 Å²	151	120.1 Å²	120.1	77%	0.774	64%	0.64	S	S	*	*			trans	-76.9	109.3	173	-55	177	0	0	0	107	P363	P363-I365 PolarHBondContact O-N 2.91Å; P363-I365 VanDerWaalsContact O-N 3.09Å
366	V	77.5	Confident	77.7	Confident	127 Å²	127	119.2 Å²	119.2	77%	0.77	64%	0.635	S	S	*	*			trans	-93.2	120.1	171.7	-170.5	0	0	0	0	107.4	V364	V364-V366 HydrophobicContact CG1-CG2 4.18Å; V364-V366 PolarHBondContact O-N 2.78Å
367	E	69.8	Low	77.2	Confident	254 Å²	254	123.8 Å²	123.8	100%	1.187	65%	0.65	S	S	*	*			trans	-72.4	0	176.6	-68.7	-172.9	164	0	0	113.5

Retrieved 367 of 367 residues in 474.8 ms (Link to these results)

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