A0A5K4FGX1_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FGX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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	45.9	Very low	51	Low	240 Å²	240	148.3 Å²	148.3	100%	1.182	78%	0.78	S	S	*	*				0	80.5	0	-77.2	167.5	53	0	0	110
2	I	45.7	Very low	51	Low	151 Å²	151	146 Å²	146	77%	0.774	78%	0.776	S	S	*	*			trans	-148.7	91.3	156.2	-53.8	-178.5	0	0	0	105.8	L4	I2-L4 HydrophobicContact CG2-CD2 4.19Å; I2-L4 HydrophobicContact CG2-CG 3.97Å; I2-L4 PolarHBondContact O-N 2.91Å
3	L	50.6	Low	51.3	Low	152 Å²	152	141.4 Å²	141.4	80%	0.796	76%	0.763	S	S	*	*			trans	-82.2	92.8	172.2	-170	75	0	0	0	106.6	L5	L3-L5 HydrophobicContact CD2-CD1 4.13Å; L3-L5 HydrophobicContact CD2-CG 4.11Å; L3-L5 HydrophobicContact CG-CG 4.26Å; L3-L5 PolarHBondContact O-N 3.26Å
4	L	51.3	Low	51.4	Low	146 Å²	146	138.5 Å²	138.5	76%	0.764	76%	0.755	S	S	*	*			trans	-71	83.4	172.6	-73.1	166.5	0	0	0	108.7	I2 L6	I2-L4 HydrophobicContact CG2-CD2 4.19Å; I2-L4 HydrophobicContact CG2-CG 3.97Å; I2-L4 PolarHBondContact O-N 2.91Å; L4-L6 PolarHBondContact O-N 2.86Å
5	L	53.5	Low	51.5	Low	133 Å²	133	132.1 Å²	132.1	70%	0.696	73%	0.734	S	S	*	*			trans	-70.2	88.9	162	-74.7	165.9	0	0	0	107.2	L3 I7	L3-L5 HydrophobicContact CD2-CD1 4.13Å; L3-L5 HydrophobicContact CD2-CG 4.11Å; L3-L5 HydrophobicContact CG-CG 4.26Å; L3-L5 PolarHBondContact O-N 3.26Å; L5-I7 PolarHBondContact O-N 2.84Å
6	L	54.9	Low	51.7	Low	156 Å²	156	133.1 Å²	133.1	82%	0.817	74%	0.737	S	S	*	*			trans	-63.1	89.5	159.5	-73	166	0	0	0	106.6	L4 S8	L4-L6 PolarHBondContact O-N 2.86Å; L6-S8 PolarHBondContact O-N 2.98Å
7	I	53.5	Low	52.2	Low	142 Å²	142	128.3 Å²	128.3	73%	0.728	73%	0.725	S	S	*	*			trans	-66.5	91.5	163.2	-62.3	173.1	0	0	0	104.6	L5 L9	L5-I7 PolarHBondContact O-N 2.84Å; I7-L9 PolarHBondContact O-N 2.86Å
8	S	53	Low	53.1	Low	94 Å²	94	123.2 Å²	123.2	66%	0.657	71%	0.706	S	S	*	*			trans	-54.9	99.4	162.2	-56.5	0	0	0	0	106	L6 I10	L6-S8 PolarHBondContact O-N 2.98Å; S8-I10 PolarHBondContact O-N 2.84Å
9	L	51.6	Low	54	Low	136 Å²	136	123.3 Å²	123.3	71%	0.712	70%	0.699	S	S	*	*			trans	-57.6	91.4	160.1	-123.9	87.8	0	0	0	104.6	I7 L11	I7-L9 PolarHBondContact O-N 2.86Å; L9-L11 HydrophobicContact CD2-CD2 4.47Å; L9-L11 HydrophobicContact CD2-CG 4.47Å; L9-L11 PolarHBondContact O-N 2.79Å
10	I	47.8	Very low	55.1	Low	142 Å²	142	123.1 Å²	123.1	73%	0.728	70%	0.696	S	S	*	*			trans	-69.2	84	161.1	-60.7	168.2	0	0	0	103.3	S8 V12	S8-I10 PolarHBondContact O-N 2.84Å; I10-V12 HydrophobicContact CG2-CG2 4.14Å; I10-V12 PolarHBondContact O-N 2.76Å
11	L	53.1	Low	56.2	Low	139 Å²	139	121.5 Å²	121.5	73%	0.728	68%	0.683	S	S	*	*			trans	-51.7	99.5	151.3	-73.6	163.3	0	0	0	103.5	L9 S13	L9-L11 HydrophobicContact CD2-CD2 4.47Å; L9-L11 HydrophobicContact CD2-CG 4.47Å; L9-L11 PolarHBondContact O-N 2.79Å; L11-S13 PolarHBondContact O-N 2.73Å
12	V	51.4	Low	57.7	Low	121 Å²	121	113 Å²	113	73%	0.733	64%	0.641	S	S	*	*			trans	-64.2	83.5	162.4	-176.8	0	0	0	0	103.2	I10 P14	I10-V12 HydrophobicContact CG2-CG2 4.14Å; I10-V12 PolarHBondContact O-N 2.76Å; V12-P14 WeakPolarHBondContact O-CD 3.22Å; V12-P14 VanDerWaalsContact O-N 3.1Å
13	S	54.3	Low	59.5	Low	86 Å²	86	108.3 Å²	108.3	60%	0.601	63%	0.625	S	S	*	*			trans	-52.3	118.4	160.5	22.2	0	0	0	0	103.7	L11 G15	L11-S13 PolarHBondContact O-N 2.73Å; S13-G15 WeakPolarHBondContact O-CA 3.44Å; S13-G15 PolarHBondContact O-N 2.74Å
14	P	52.7	Low	61.3	Low	101 Å²	101	107.7 Å²	107.7	66%	0.656	62%	0.616	S	S	*	*			trans	-52.7	106.7	165.1	-17.7	30.2	0	0	0	104	V12 L16	V12-P14 WeakPolarHBondContact O-CD 3.22Å; V12-P14 VanDerWaalsContact O-N 3.1Å; P14-L16 PolarHBondContact O-N 3.4Å
15	G	53.5	Low	63.1	Low	43 Å²	43	102.2 Å²	102.2	44%	0.443	59%	0.586	S	S	.	*			trans	-55.1	142.5	-161.6	0	0	0	0	0	108.7	S13 G17 G18	S13-G15 WeakPolarHBondContact O-CA 3.44Å; S13-G15 PolarHBondContact O-N 2.74Å; G15-G17 CarbonylContact O-C 3.6Å; G15-G17 PolarHBondContact O-N 2.75Å; G15-G18 PolarHBondContact O-N 2.85Å
16	L	54.1	Low	64.7	Low	148 Å²	148	97.2 Å²	97.2	78%	0.775	56%	0.561	S	S	*	*	H	α-helix	trans	-41.6	-33.1	176.8	-75.1	153	0	0	0	112.9	P14 Q19 D20	P14-L16 PolarHBondContact O-N 3.4Å; L16-Q19 PolarHBondContact O-N 2.95Å; L16-D20 PolarHBondContact O-N 3Å; L16-D20 VanDerWaalsContact O-N 3.14Å
17	G	59.9	Low	66.4	Low	51 Å²	51	92.3 Å²	92.3	53%	0.526	54%	0.539	S	S	.	.	H	α-helix	trans	-63.2	-35.9	174.5	0	0	0	0	0	115.7	G15 E21	G15-G17 CarbonylContact O-C 3.6Å; G15-G17 PolarHBondContact O-N 2.75Å; G17-E21 WeakPolarHBondContact O-CB 3.29Å; G17-E21 PolarHBondContact O-N 2.88Å
18	G	68.4	Low	68.3	Low	37 Å²	37	87 Å²	87	38%	0.381	51%	0.514	S	S	.	.	H	α-helix	trans	-69.6	-36	176.7	0	0	0	0	0	112.6	G15 M22	G15-G18 PolarHBondContact O-N 2.85Å; G18-M22 VanDerWaalsContact O-CG 3.27Å; G18-M22 WeakPolarHBondContact O-CG 3.44Å; G18-M22 PolarHBondContact O-N 3.38Å; G18-M22 VanDerWaalsContact O-N 3.08Å
19	Q	70.2	Confident	70.4	Confident	125 Å²	125	82.6 Å²	82.6	58%	0.584	48%	0.483	S	S	*	.	H	α-helix	trans	-68.7	-43.5	175	-71.2	-177.4	-19.1	0	0	111.9	L16 M22 A23	L16-Q19 PolarHBondContact O-N 2.95Å; Q19-M22 PolarHBondContact O-N 3.42Å; Q19-A23 WeakPolarHBondContact O-CB 3.29Å; Q19-A23 PolarHBondContact O-N 3.08Å
20	D	77	Confident	72.5	Confident	118 Å²	118	77.9 Å²	77.9	63%	0.631	46%	0.458	S	S	*	.	H	α-helix	trans	-63	-42.4	176.8	-174.9	48.2	0	0	0	111.9	L16 M22 A23 K24	L16-D20 PolarHBondContact O-N 3Å; L16-D20 VanDerWaalsContact O-N 3.14Å; D20-M22 PolarHBondContact O-N 3.12Å; D20-A23 PolarHBondContact O-N 2.9Å; D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 PolarHBondContact O-N 3.26Å
21	E	78.8	Confident	74.8	Confident	91 Å²	91	76.9 Å²	76.9	43%	0.425	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-44.8	175.9	-174.6	176.8	-165.5	0	0	112	G17 K24 F25	G17-E21 WeakPolarHBondContact O-CB 3.29Å; G17-E21 PolarHBondContact O-N 2.88Å; E21-K24 WeakPolarHBondContact O-CB 3.34Å; E21-K24 PolarHBondContact O-N 3.14Å; E21-F25 HydrophobicContact CG-CD2 4.18Å; E21-F25 HydrophobicContact CG-CE1 4.21Å; E21-F25 HydrophobicContact CG-CE2 3.48Å; E21-F25 VanDerWaalsContact CG-CE2 3.48Å; E21-F25 HydrophobicContact CG-CZ 3.5Å; E21-F25 VanDerWaalsContact CG-CZ 3.5Å; E21-F25 WeakPolarHBondContact O-CD2 3.43Å; E21-F25 WeakPolarHBondContact O-CG 3.48Å; E21-F25 PolarHBondContact O-N 2.84Å; E21-F25 VanDerWaalsContact OE1-CZ 3.24Å; E21-F25 WeakPolarHBondContact OE1-CZ 3.49Å
22	M	76.7	Confident	76.8	Confident	60 Å²	60	73.1 Å²	73.1	30%	0.296	43%	0.429	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.7	-71	-55.2	97.8	0	0	111.9	G18 Q19 D20 K24 F25 T26	G18-M22 VanDerWaalsContact O-CG 3.27Å; G18-M22 WeakPolarHBondContact O-CG 3.44Å; G18-M22 PolarHBondContact O-N 3.38Å; G18-M22 VanDerWaalsContact O-N 3.08Å; Q19-M22 PolarHBondContact O-N 3.42Å; D20-M22 PolarHBondContact O-N 3.12Å; M22-K24 VanDerWaalsContact C-N 3.28Å; M22-K24 PolarHBondContact O-N 3.15Å; M22-F25 HydrophobicContact CE-CD2 3.39Å; M22-F25 HydrophobicContact CE-CE2 3.53Å; M22-F25 PolarHBondContact O-N 2.98Å; M22-F25 HydrophobicContact SD-CD2 4.37Å; M22-T26 WeakPolarHBondContact O-CG2 3.4Å; M22-T26 PolarHBondContact O-N 3.34Å; M22-T26 PolarHBondContact O-OG1 2.94Å
23	A	83.1	Confident	79.1	Confident	54 Å²	54	67.4 Å²	67.4	45%	0.446	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-37.3	176.3	0	0	0	0	0	112.3	Q19 D20 T26 S27	Q19-A23 WeakPolarHBondContact O-CB 3.29Å; Q19-A23 PolarHBondContact O-N 3.08Å; D20-A23 PolarHBondContact O-N 2.9Å; A23-T26 PolarHBondContact O-OG1 3.16Å; A23-S27 VanDerWaalsContact O-CB 3.25Å; A23-S27 WeakPolarHBondContact O-CB 3.24Å; A23-S27 PolarHBondContact O-N 3.16Å
24	K	88.3	Confident	81.1	Confident	138 Å²	138	64.2 Å²	64.2	60%	0.6	37%	0.371	S	S	*	.	H	α-helix	trans	-64.9	-41.7	174.7	-175.5	177	179.9	179.5	0	112.1	D20 E21 M22 T28	D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 PolarHBondContact O-N 3.26Å; E21-K24 WeakPolarHBondContact O-CB 3.34Å; E21-K24 PolarHBondContact O-N 3.14Å; M22-K24 VanDerWaalsContact C-N 3.28Å; M22-K24 PolarHBondContact O-N 3.15Å; K24-T28 WeakPolarHBondContact O-CB 3.36Å; K24-T28 PolarHBondContact O-N 3.01Å; K24-T28 PolarHBondContact O-OG1 3.49Å
25	F	90.3	Very high	83.2	Confident	31 Å²	31	65.5 Å²	65.5	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-67.9	-45.8	178.5	-64.4	-25.2	0	0	0	112.5	E21 M22 S27 T28 L29 I102 V147	E21-F25 HydrophobicContact CG-CD2 4.18Å; E21-F25 HydrophobicContact CG-CE1 4.21Å; E21-F25 HydrophobicContact CG-CE2 3.48Å; E21-F25 VanDerWaalsContact CG-CE2 3.48Å; E21-F25 HydrophobicContact CG-CZ 3.5Å; E21-F25 VanDerWaalsContact CG-CZ 3.5Å; E21-F25 WeakPolarHBondContact O-CD2 3.43Å; E21-F25 WeakPolarHBondContact O-CG 3.48Å; E21-F25 PolarHBondContact O-N 2.84Å; E21-F25 VanDerWaalsContact OE1-CZ 3.24Å; E21-F25 WeakPolarHBondContact OE1-CZ 3.49Å; M22-F25 HydrophobicContact CE-CD2 3.39Å; M22-F25 HydrophobicContact CE-CE2 3.53Å; M22-F25 PolarHBondContact O-N 2.98Å; M22-F25 HydrophobicContact SD-CD2 4.37Å; F25-S27 VanDerWaalsContact C-N 3.34Å; F25-S27 PolarHBondContact O-N 3.27Å; F25-T28 PolarHBondContact O-N 3.03Å; F25-L29 WeakPolarHBondContact O-CG 3.45Å; F25-L29 PolarHBondContact O-N 3.21Å; F25-I102 HydrophobicContact CB-CD1 4.04Å; F25-I102 HydrophobicContact CD1-CD1 3.23Å; F25-I102 HydrophobicContact CD2-CD1 3.42Å; F25-I102 VanDerWaalsContact CD2-CD1 3.42Å; F25-I102 HydrophobicContact CE1-CD1 3.34Å; F25-I102 HydrophobicContact CE2-CD1 3.51Å; F25-I102 HydrophobicContact CG-CD1 3.28Å; F25-I102 HydrophobicContact CZ-CD1 3.47Å; F25-I102 VanDerWaalsContact CZ-CD1 3.47Å; F25-V147 HydrophobicContact CB-CG2 4.37Å; F25-V147 HydrophobicContact CD2-CG1 4.38Å
26	T	86.5	Confident	85.3	Confident	29 Å²	29	63.5 Å²	63.5	18%	0.178	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-44.5	177.6	56.1	0	0	0	0	111.3	M22 A23 T28 L29 L30 W59 Y64	M22-T26 WeakPolarHBondContact O-CG2 3.4Å; M22-T26 PolarHBondContact O-N 3.34Å; M22-T26 PolarHBondContact O-OG1 2.94Å; A23-T26 PolarHBondContact O-OG1 3.16Å; T26-T28 PolarHBondContact O-N 3.28Å; T26-L29 PolarHBondContact O-N 3.14Å; T26-L30 PolarHBondContact O-N 3.47Å; T26-W59 VanDerWaalsContact CB-CH2 3.49Å; T26-W59 HydrophobicContact CG2-CH2 3.52Å; T26-W59 HydrophobicContact CG2-CZ2 3.87Å; T26-W59 HydrophobicContact CG2-CZ3 4.48Å; T26-Y64 HydrophobicContact CG2-CD2 4.45Å; T26-Y64 HydrophobicContact CG2-CE2 4.28Å
27	S	90.7	Very high	87.3	Confident	52 Å²	52	56.6 Å²	56.6	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-43.8	175.2	-175.9	0	0	0	0	112.1	A23 F25 L29 L30 Q31	A23-S27 VanDerWaalsContact O-CB 3.25Å; A23-S27 WeakPolarHBondContact O-CB 3.24Å; A23-S27 PolarHBondContact O-N 3.16Å; F25-S27 VanDerWaalsContact C-N 3.34Å; F25-S27 PolarHBondContact O-N 3.27Å; S27-L29 PolarHBondContact O-N 2.98Å; S27-L30 PolarHBondContact O-N 2.8Å; S27-Q31 WeakPolarHBondContact O-CB 3.46Å; S27-Q31 VanDerWaalsContact O-CG 3.22Å; S27-Q31 WeakPolarHBondContact O-CG 3.24Å; S27-Q31 PolarHBondContact O-N 3.01Å; S27-Q31 PolarHBondContact OG-NE2 3.03Å
28	T	93	Very high	89.1	Confident	32 Å²	32	57.4 Å²	57.4	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-46	177.9	-61	0	0	0	0	111.4	K24 F25 T26 Q31 H32 N103	K24-T28 WeakPolarHBondContact O-CB 3.36Å; K24-T28 PolarHBondContact O-N 3.01Å; K24-T28 PolarHBondContact O-OG1 3.49Å; F25-T28 PolarHBondContact O-N 3.03Å; T26-T28 PolarHBondContact O-N 3.28Å; T28-Q31 PolarHBondContact O-N 3.3Å; T28-H32 PolarHBondContact O-N 3.36Å; T28-H32 PolarHBondContact O-ND1 2.86Å; T28-N103 VanDerWaalsContact CG2-OD1 3.27Å; T28-N103 WeakPolarHBondContact CG2-OD1 3.32Å
29	L	96.5	Very high	90.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-51	178.5	-70.5	172	0	0	0	110.4	F25 T26 S27 Q31 H32 H33 I102 I106 C145 V147 V161	F25-L29 WeakPolarHBondContact O-CG 3.45Å; F25-L29 PolarHBondContact O-N 3.21Å; T26-L29 PolarHBondContact O-N 3.14Å; S27-L29 PolarHBondContact O-N 2.98Å; L29-Q31 PolarHBondContact O-N 3.28Å; L29-H32 PolarHBondContact O-N 3Å; L29-H33 PolarHBondContact O-N 3.37Å; L29-H33 PolarHBondContact O-ND1 3.01Å; L29-I102 HydrophobicContact CD1-CG2 4.31Å; L29-I102 HydrophobicContact CD2-CG2 3.67Å; L29-I102 HydrophobicContact CG-CG2 3.95Å; L29-I106 HydrophobicContact CD2-CD1 3.59Å; L29-I106 HydrophobicContact CD2-CG1 4.36Å; L29-C145 HydrophobicContact CB-CB 4.31Å; L29-C145 HydrophobicContact CD1-CB 3.53Å; L29-V147 HydrophobicContact CD1-CG2 3.73Å; L29-V161 HydrophobicContact CD1-CG1 3.91Å; L29-V161 HydrophobicContact CD2-CG1 3.96Å
30	L	96.6	Very high	91.6	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.194	25%	0.253	C	S	.	.	H	α-helix	trans	-56.4	-47.9	179.3	179.5	60.1	0	0	0	112.1	T26 S27 H32 H33 N34 F57 W59 I143	T26-L30 PolarHBondContact O-N 3.47Å; S27-L30 PolarHBondContact O-N 2.8Å; L30-H32 PolarHBondContact O-N 2.9Å; L30-H33 PolarHBondContact O-N 2.96Å; L30-N34 PolarHBondContact O-N 3.14Å; L30-F57 HydrophobicContact CD1-CB 3.97Å; L30-W59 HydrophobicContact CD2-CB 4.42Å; L30-I143 HydrophobicContact CD1-CG2 3.56Å
31	Q	96.2	Very high	92.5	Very high	121 Å²	121	45.4 Å²	45.4	57%	0.565	23%	0.226	S	C	*	.	H	α-helix	trans	-60.5	-42.7	179.4	-72.2	176.1	35.5	0	0	112.5	S27 T28 L29 N34 W35	S27-Q31 WeakPolarHBondContact O-CB 3.46Å; S27-Q31 VanDerWaalsContact O-CG 3.22Å; S27-Q31 WeakPolarHBondContact O-CG 3.24Å; S27-Q31 PolarHBondContact O-N 3.01Å; S27-Q31 PolarHBondContact OG-NE2 3.03Å; T28-Q31 PolarHBondContact O-N 3.3Å; L29-Q31 PolarHBondContact O-N 3.28Å; Q31-N34 PolarHBondContact O-N 3.23Å; Q31-W35 WeakPolarHBondContact O-CB 3.45Å; Q31-W35 PolarHBondContact O-N 3.3Å
32	H	95.6	Very high	93.3	Very high	61 Å²	61	46.8 Å²	46.8	28%	0.282	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-38.6	178.5	-79.7	82.9	0	0	0	112.3	T28 L29 L30 N34 W35 V36 I106	T28-H32 PolarHBondContact O-N 3.36Å; T28-H32 PolarHBondContact O-ND1 2.86Å; L29-H32 PolarHBondContact O-N 3Å; L30-H32 PolarHBondContact O-N 2.9Å; H32-N34 VanDerWaalsContact C-N 3.35Å; H32-W35 PolarHBondContact O-N 2.91Å; H32-V36 WeakPolarHBondContact O-CG2 3.27Å; H32-V36 PolarHBondContact O-N 3.27Å; H32-I106 HydrophobicContact CB-CB 4.38Å; H32-I106 HydrophobicContact CB-CD1 3.41Å; H32-I106 VanDerWaalsContact CB-CD1 3.41Å; H32-I106 HydrophobicContact CB-CG1 3.87Å; H32-I106 HydrophobicContact CB-CG2 4.22Å
33	H	97.8	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-47.1	174.4	-75.7	73.5	0	0	0	111.2	L29 L30 W35 V36 R37 F57 W109 L135 I143 C163 Y165	L29-H33 PolarHBondContact O-N 3.37Å; L29-H33 PolarHBondContact O-ND1 3.01Å; L30-H33 PolarHBondContact O-N 2.96Å; H33-W35 PolarHBondContact O-N 2.98Å; H33-V36 WeakPolarHBondContact O-CB 3.44Å; H33-V36 PolarHBondContact O-N 3.01Å; H33-V36 VanDerWaalsContact O-N 3.16Å; H33-R37 PolarHBondContact O-N 3.36Å; H33-F57 HydrophobicContact CB-CD2 3.78Å; H33-F57 HydrophobicContact CB-CE2 3.95Å; H33-W109 AromaticContact CE1-CZ3 3.76Å; H33-W109 AromaticContact NE2-CE3 3.96Å; H33-W109 AromaticContact NE2-CZ3 3.7Å; H33-L135 WeakPolarHBondContact CD2-CD2 2.94Å; H33-L135 VanDerWaalsContact NE2-CD2 3.32Å; H33-L135 WeakPolarHBondContact NE2-CD2 3.49Å; H33-I143 HydrophobicContact CB-CD1 4.32Å; H33-I143 VanDerWaalsContact CD2-CD1 3.42Å; H33-I143 WeakPolarHBondContact CD2-CD1 3.3Å; H33-C163 VanDerWaalsContact CE1-SG 3.59Å; H33-Y165 AromaticContact CD2-CE1 3.74Å; H33-Y165 AromaticContact NE2-CE1 3.85Å; H33-Y165 AromaticContact NE2-CZ 3.78Å; H33-Y165 PolarHBondContact NE2-OH 3.16Å
34	N	98	Very high	94.5	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-43.1	178.4	-70.4	-10	0	0	0	110.9	L30 Q31 H32 V36 R37 Q38 D56 F57	L30-N34 PolarHBondContact O-N 3.14Å; Q31-N34 PolarHBondContact O-N 3.23Å; H32-N34 VanDerWaalsContact C-N 3.35Å; N34-V36 VanDerWaalsContact C-N 3.31Å; N34-V36 PolarHBondContact O-N 3.33Å; N34-R37 PolarHBondContact O-N 3.48Å; N34-R37 VanDerWaalsContact O-N 3.12Å; N34-Q38 VanDerWaalsContact O-CG 3.3Å; N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.23Å; N34-D56 HydrophobicContact CB-CB 4.31Å; N34-D56 WeakPolarHBondContact CB-OD1 3.45Å; N34-D56 WeakPolarHBondContact ND2-CB 3.44Å; N34-F57 PolarHBondContact OD1-N 3Å
35	W	96.5	Very high	94.4	Very high	128 Å²	128	45.2 Å²	45.2	49%	0.485	24%	0.237	S	C	.	.	H	α-helix	trans	-55	-45.3	172.7	176.7	90.1	0	0	0	112.4	Q31 H32 H33 R37 Q38 T39 R110	Q31-W35 WeakPolarHBondContact O-CB 3.45Å; Q31-W35 PolarHBondContact O-N 3.3Å; H32-W35 PolarHBondContact O-N 2.91Å; H33-W35 PolarHBondContact O-N 2.98Å; W35-R37 PolarHBondContact O-N 2.88Å; W35-Q38 PolarHBondContact O-N 2.98Å; W35-T39 HydrophobicContact CD2-CG2 4.11Å; W35-T39 HydrophobicContact CE3-CG2 4.21Å; W35-T39 HydrophobicContact CH2-CG2 4.02Å; W35-T39 HydrophobicContact CZ2-CG2 3.93Å; W35-T39 HydrophobicContact CZ3-CG2 4.14Å; W35-T39 VanDerWaalsContact O-CG2 3.25Å; W35-T39 WeakPolarHBondContact O-CG2 3.24Å; W35-T39 PolarHBondContact O-N 3.5Å; W35-R110 VanDerWaalsContact CZ3-NH1 3.31Å
36	V	96.4	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-46.3	176.9	174.9	0	0	0	0	110.9	H32 H33 N34 Q38 T39 I106 R110 L135 V136	H32-V36 WeakPolarHBondContact O-CG2 3.27Å; H32-V36 PolarHBondContact O-N 3.27Å; H33-V36 WeakPolarHBondContact O-CB 3.44Å; H33-V36 PolarHBondContact O-N 3.01Å; H33-V36 VanDerWaalsContact O-N 3.16Å; N34-V36 VanDerWaalsContact C-N 3.31Å; N34-V36 PolarHBondContact O-N 3.33Å; V36-Q38 PolarHBondContact O-N 3.17Å; V36-T39 PolarHBondContact O-N 3.03Å; V36-T39 PolarHBondContact O-OG1 3.06Å; V36-I106 HydrophobicContact CG2-CG2 3.98Å; V36-R110 HydrophobicContact CG1-CG 4.24Å; V36-R110 HydrophobicContact CG2-CB 4.48Å; V36-R110 HydrophobicContact CG2-CG 4.13Å; V36-L135 HydrophobicContact CG1-CB 4.43Å; V36-L135 HydrophobicContact CG1-CD1 4.36Å; V36-V136 HydrophobicContact CG1-CG1 3.85Å
37	R	97.8	Very high	94.3	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-44.9	177.3	-68.9	174.2	68.4	96.3	-10.3	111.5	H33 N34 W35 T39 R40 N41 L54 E55 F57 L135 N137 T140	H33-R37 PolarHBondContact O-N 3.36Å; N34-R37 PolarHBondContact O-N 3.48Å; N34-R37 VanDerWaalsContact O-N 3.12Å; W35-R37 PolarHBondContact O-N 2.88Å; R37-T39 PolarHBondContact O-N 3.26Å; R37-R40 WeakPolarHBondContact O-CB 3.25Å; R37-R40 PolarHBondContact O-N 3.23Å; R37-N41 PolarHBondContact O-N 3.16Å; R37-L54 HydrophobicContact CB-CB 3.98Å; R37-L54 HydrophobicContact CB-CD1 4.24Å; R37-L54 HydrophobicContact CG-CB 4.49Å; R37-L54 HydrophobicContact CG-CD1 4.38Å; R37-E55 PolarHBondContact NE-O 3.29Å; R37-E55 PolarHBondContact NH2-O 3.33Å; R37-F57 HydrophobicContact CG-CE2 4.48Å; R37-F57 VanDerWaalsContact NH1-CE1 3.26Å; R37-F57 VanDerWaalsContact NH1-CZ 3.33Å; R37-L135 WeakPolarHBondContact CD-O 3.47Å; R37-L135 VanDerWaalsContact CG-O 3.29Å; R37-L135 WeakPolarHBondContact CG-O 3.3Å; R37-L135 PolarHBondContact NH1-O 2.99Å; R37-N137 PolarHBondContact NH1-O 3.17Å; R37-T140 PolarHBondContact NH2-O 3.5Å
38	Q	97	Very high	94.4	Very high	69 Å²	69	55.7 Å²	55.7	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-27.5	177.4	-64.8	-46.6	-37.4	0	0	113.1	N34 W35 V36 R40 N41 K42 L54 D56	N34-Q38 VanDerWaalsContact O-CG 3.3Å; N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.23Å; W35-Q38 PolarHBondContact O-N 2.98Å; V36-Q38 PolarHBondContact O-N 3.17Å; Q38-R40 VanDerWaalsContact C-N 3.25Å; Q38-R40 PolarHBondContact O-N 3.39Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 3.03Å; Q38-N41 PolarHBondContact OE1-ND2 2.94Å; Q38-K42 PolarHBondContact O-N 3.38Å; Q38-L54 PolarHBondContact NE2-O 2.94Å; Q38-D56 PolarHBondContact NE2-OD1 2.87Å
39	T	95.8	Very high	94.5	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-31.8	172.9	69.1	0	0	0	0	113.1	W35 V36 R37 N41 K42	W35-T39 HydrophobicContact CD2-CG2 4.11Å; W35-T39 HydrophobicContact CE3-CG2 4.21Å; W35-T39 HydrophobicContact CH2-CG2 4.02Å; W35-T39 HydrophobicContact CZ2-CG2 3.93Å; W35-T39 HydrophobicContact CZ3-CG2 4.14Å; W35-T39 VanDerWaalsContact O-CG2 3.25Å; W35-T39 WeakPolarHBondContact O-CG2 3.24Å; W35-T39 PolarHBondContact O-N 3.5Å; V36-T39 PolarHBondContact O-N 3.03Å; V36-T39 PolarHBondContact O-OG1 3.06Å; R37-T39 PolarHBondContact O-N 3.26Å; T39-N41 VanDerWaalsContact C-N 3.33Å; T39-K42 PolarHBondContact O-N 2.93Å
40	R	95.8	Very high	94.4	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-78.2	-21.1	177.4	-49.6	-56.5	115.9	177.8	1.3	112.7	R37 Q38 K42 W47 S48 T49 S50 L54 V136 Y175 R182	R37-R40 WeakPolarHBondContact O-CB 3.25Å; R37-R40 PolarHBondContact O-N 3.23Å; Q38-R40 VanDerWaalsContact C-N 3.25Å; Q38-R40 PolarHBondContact O-N 3.39Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-W47 VanDerWaalsContact NH2-CE3 3.34Å; R40-S48 WeakPolarHBondContact CD-O 3.33Å; R40-T49 WeakPolarHBondContact O-CA 3.29Å; R40-S50 PolarHBondContact O-N 3.46Å; R40-S50 PolarHBondContact O-OG 2.84Å; R40-L54 HydrophobicContact CB-CD1 3.85Å; R40-L54 HydrophobicContact CG-CD1 4.03Å; R40-V136 HydrophobicContact CG-CB 4.41Å; R40-V136 HydrophobicContact CG-CG1 3.95Å; R40-Y175 HydrophobicContact CB-CE1 4.5Å; R40-Y175 VanDerWaalsContact CD-OH 3.25Å; R40-Y175 WeakPolarHBondContact CD-OH 3.49Å; R40-Y175 HydrophobicContact CG-CE1 4.15Å; R40-R182 PolarHBondContact O-NH2 2.68Å
41	N	96.2	Very high	94.4	Very high	15 Å²	15	56 Å²	56	8%	0.08	27%	0.268	C	S	.	.	H	α-helix	trans	-75.3	-18.5	173.9	-65.2	-15.2	0	0	0	112.3	R37 Q38 T39 S50 K53 L54 R182	R37-N41 PolarHBondContact O-N 3.16Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 3.03Å; Q38-N41 PolarHBondContact OE1-ND2 2.94Å; T39-N41 VanDerWaalsContact C-N 3.33Å; N41-S50 PolarHBondContact OD1-OG 2.79Å; N41-K53 HydrophobicContact CB-CG 4.43Å; N41-K53 VanDerWaalsContact OD1-CA 3.28Å; N41-K53 WeakPolarHBondContact OD1-CA 3.39Å; N41-L54 PolarHBondContact ND2-N 2.87Å; N41-L54 PolarHBondContact ND2-O 2.04Å; N41-L54 PolarHBondContact OD1-N 2.93Å; N41-R182 PolarHBondContact O-NH1 3.22Å; N41-R182 PolarHBondContact O-NH2 3.05Å; N41-R182 VanDerWaalsContact O-NH2 3.15Å
42	K	94.5	Very high	94.4	Very high	119 Å²	119	56.8 Å²	56.8	52%	0.517	27%	0.27	S	S	.	.	S	Bend	trans	-74.9	135.8	174.3	-62.4	179	-177.4	-177.7	0	109.7	Q38 T39 R40 D44 T49	Q38-K42 PolarHBondContact O-N 3.38Å; T39-K42 PolarHBondContact O-N 2.93Å; R40-K42 VanDerWaalsContact C-N 3.27Å; K42-D44 HydrophobicContact CB-CB 4.26Å; K42-D44 PolarHBondContact O-N 3.31Å; K42-T49 WeakPolarHBondContact O-CG2 3.29Å
43	C	93.3	Very high	94.5	Very high	67 Å²	67	60.9 Å²	60.9	45%	0.453	29%	0.287	S	S	.	.			trans	-82.3	57.6	172.2	-61.9	0	0	0	0	110.7	R182 C183	C43-R182 PolarHBondContact SG-NH1 3.3Å; C43-R182 VanDerWaalsContact SG-NH1 3.42Å; C43-C183 WeakPolarHBondContact CA-SG 3.28Å; C43-C183 HydrophobicContact CB-CB 3.59Å; C43-C183 WeakPolarHBondContact CB-SG 3.3Å; C43-C183 WeakPolarHBondContact SG-CA 3.35Å; C43-C183 WeakPolarHBondContact SG-CB 3.46Å; C43-C183 CovalentContact SG-SG 2.05Å; C43-C183 PolarHBondContact SG-SG 2.98Å
44	D	91	Very high	94.5	Very high	35 Å²	35	60.9 Å²	60.9	19%	0.187	29%	0.287	C	S	.	.			trans	-106.8	120.1	-176.4	-177.2	-22.4	0	0	0	109.3	K42 R46 W47	K42-D44 HydrophobicContact CB-CB 4.26Å; K42-D44 PolarHBondContact O-N 3.31Å; D44-R46 PolarHBondContact O-N 3.48Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.47Å; D44-R46 WeakPolarHBondContact OD1-CG 3.4Å; D44-R46 IonicContact OD1-CZ 3.98Å; D44-R46 PolarHBondContact OD1-N 2.94Å; D44-R46 IonicContact OD1-NE 3.07Å; D44-R46 PolarHBondContact OD1-NE 3.39Å; D44-R46 IonicContact OD2-CZ 3.27Å; D44-R46 VanDerWaalsContact OD2-CZ 3.27Å; D44-R46 IonicContact OD2-NE 3.05Å; D44-R46 PolarHBondContact OD2-NE 3.46Å; D44-R46 IonicContact OD2-NH2 2.68Å; D44-R46 PolarHBondContact OD2-NH2 3.49Å; D44-W47 PolarHBondContact O-N 3.16Å
45	S	86.1	Confident	94.5	Very high	118 Å²	118	66.8 Å²	66.8	83%	0.825	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.1	-176.2	57.8	0	0	0	0	114.4	W47	S45-W47 PolarHBondContact O-N 2.86Å
46	R	87.9	Confident	94.6	Very high	187 Å²	187	64.6 Å²	64.6	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.2	173.2	-64	178.5	-69	-177	-2.8	112.8	D44	D44-R46 PolarHBondContact O-N 3.48Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.47Å; D44-R46 WeakPolarHBondContact OD1-CG 3.4Å; D44-R46 IonicContact OD1-CZ 3.98Å; D44-R46 PolarHBondContact OD1-N 2.94Å; D44-R46 IonicContact OD1-NE 3.07Å; D44-R46 PolarHBondContact OD1-NE 3.39Å; D44-R46 IonicContact OD2-CZ 3.27Å; D44-R46 VanDerWaalsContact OD2-CZ 3.27Å; D44-R46 IonicContact OD2-NE 3.05Å; D44-R46 PolarHBondContact OD2-NE 3.46Å; D44-R46 IonicContact OD2-NH2 2.68Å; D44-R46 PolarHBondContact OD2-NH2 3.49Å
47	W	88	Confident	94.7	Very high	109 Å²	109	65 Å²	65	41%	0.413	31%	0.313	S	S	.	.	S	Bend	trans	-128.3	149.6	-173.5	-54.3	111.8	0	0	0	110.2	R40 D44 S45 T49	R40-W47 VanDerWaalsContact NH2-CE3 3.34Å; D44-W47 PolarHBondContact O-N 3.16Å; S45-W47 PolarHBondContact O-N 2.86Å; W47-T49 WeakPolarHBondContact O-CG2 3.29Å; W47-T49 PolarHBondContact O-N 2.03Å
48	S	92.1	Very high	94.7	Very high	36 Å²	36	69.3 Å²	69.3	25%	0.252	34%	0.336	S	S	.	.			trans	-62.7	137.4	163.6	50.2	0	0	0	0	109.5	R40 Y175	R40-S48 WeakPolarHBondContact CD-O 3.33Å; S48-Y175 PolarHBondContact OG-OH 3.44Å
49	T	94.8	Very high	94.8	Very high	4 Å²	4	69.3 Å²	69.3	3%	0.025	33%	0.333	C	S	.	.			trans	-114	142.1	-174.8	67.3	0	0	0	0	109.7	R40 K42 W47 G178	R40-T49 WeakPolarHBondContact O-CA 3.29Å; K42-T49 WeakPolarHBondContact O-CG2 3.29Å; W47-T49 WeakPolarHBondContact O-CG2 3.29Å; W47-T49 PolarHBondContact O-N 2.03Å; T49-G178 PolarHBondContact O-N 3.05Å
50	S	95	Very high	94.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-88.8	140	-179.4	62.7	0	0	0	0	111.7	R40 N41 K52 Y175 D176 R182	R40-S50 PolarHBondContact O-N 3.46Å; R40-S50 PolarHBondContact O-OG 2.84Å; N41-S50 PolarHBondContact OD1-OG 2.79Å; S50-K52 WeakPolarHBondContact CB-O 2.97Å; S50-K52 PolarHBondContact OG-O 2.79Å; S50-Y175 VanDerWaalsContact CB-CD2 3.46Å; S50-D176 CarbonylContact C-O 3.51Å; S50-D176 WeakPolarHBondContact CA-O 3.47Å; S50-R182 PolarHBondContact O-NE 2.85Å; S50-R182 PolarHBondContact O-NH2 3.04Å
51	E	96	Very high	94.9	Very high	71 Å²	71	74.6 Å²	74.6	33%	0.332	36%	0.361	S	S	.	.	S	Bend	trans	-59.3	-54.6	174.2	168.1	175	171.5	0	0	110.5	D176 G178 T181 R182	E51-D176 HydrophobicContact CB-CB 4.11Å; E51-D176 PolarHBondContact N-O 3.3Å; E51-G178 VanDerWaalsContact CA-CA 3.48Å; E51-T181 WeakPolarHBondContact CB-OG1 3.15Å; E51-T181 HydrophobicContact CG-CG2 4.28Å; E51-T181 VanDerWaalsContact CG-OG1 3.29Å; E51-T181 WeakPolarHBondContact CG-OG1 3.48Å; E51-R182 WeakPolarHBondContact O-CB 3.47Å; E51-R182 WeakPolarHBondContact O-CD 2.97Å; E51-R182 PolarHBondContact O-NE 2.95Å; E51-R182 VanDerWaalsContact O-NE 3.12Å
52	K	96.6	Very high	95	Very high	138 Å²	138	75.2 Å²	75.2	60%	0.6	37%	0.371	S	S	*	.	S	Bend	trans	-93.4	145.8	172.5	-68.2	178.5	-176.7	175.3	0	109.6	S50 L54 I138	S50-K52 WeakPolarHBondContact CB-O 2.97Å; S50-K52 PolarHBondContact OG-O 2.79Å; K52-L54 PolarHBondContact O-N 2.99Å; K52-I138 HydrophobicContact CB-CD1 3.63Å; K52-I138 HydrophobicContact CD-CD1 4.26Å
53	K	97.2	Very high	95.2	Very high	146 Å²	146	69.6 Å²	69.6	64%	0.635	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64.7	130.6	174.9	-70.6	-176.7	178.8	177.7	0	109.3	N41 E55	N41-K53 HydrophobicContact CB-CG 4.43Å; N41-K53 VanDerWaalsContact OD1-CA 3.28Å; N41-K53 WeakPolarHBondContact OD1-CA 3.39Å; K53-E55 PolarHBondContact O-N 3.41Å
54	L	98.1	Very high	95.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-71.8	116.5	168.2	-54.8	-176.4	0	0	0	108	R37 Q38 R40 N41 K52 V136 I138 Y175	R37-L54 HydrophobicContact CB-CB 3.98Å; R37-L54 HydrophobicContact CB-CD1 4.24Å; R37-L54 HydrophobicContact CG-CB 4.49Å; R37-L54 HydrophobicContact CG-CD1 4.38Å; Q38-L54 PolarHBondContact NE2-O 2.94Å; R40-L54 HydrophobicContact CB-CD1 3.85Å; R40-L54 HydrophobicContact CG-CD1 4.03Å; N41-L54 PolarHBondContact ND2-N 2.87Å; N41-L54 PolarHBondContact ND2-O 2.04Å; N41-L54 PolarHBondContact OD1-N 2.93Å; K52-L54 PolarHBondContact O-N 2.99Å; L54-V136 HydrophobicContact CD1-CB 3.96Å; L54-V136 WeakPolarHBondContact CD1-O 3.02Å; L54-I138 HydrophobicContact CD2-CB 3.75Å; L54-I138 HydrophobicContact CD2-CD1 4.33Å; L54-I138 HydrophobicContact CD2-CG1 3.9Å; L54-Y175 HydrophobicContact CD1-CD1 4.16Å; L54-Y175 HydrophobicContact CD1-CE1 4.39Å; L54-Y175 HydrophobicContact CD2-CD1 4.34Å; L54-Y175 HydrophobicContact CD2-CG 4.41Å
55	E	98.2	Very high	95.6	Very high	143 Å²	143	71 Å²	71	67%	0.668	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-69.7	154.3	174.9	-62.8	-173.8	165.9	0	0	110.8	R37 K53	R37-E55 PolarHBondContact NE-O 3.29Å; R37-E55 PolarHBondContact NH2-O 3.33Å; K53-E55 PolarHBondContact O-N 3.41Å
56	D	98.5	Very high	96.2	Very high	82 Å²	82	66.4 Å²	66.4	44%	0.439	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62.4	146	171.4	-79	-3.9	0	0	0	110.6	N34 Q38	N34-D56 HydrophobicContact CB-CB 4.31Å; N34-D56 WeakPolarHBondContact CB-OD1 3.45Å; N34-D56 WeakPolarHBondContact ND2-CB 3.44Å; Q38-D56 PolarHBondContact NE2-OD1 2.87Å
57	F	98.6	Very high	96.7	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.039	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.7	144.6	174.5	-69.9	-54.2	0	0	0	111.1	L30 H33 N34 R37 L135 T140 T141 I143 Y165	L30-F57 HydrophobicContact CD1-CB 3.97Å; H33-F57 HydrophobicContact CB-CD2 3.78Å; H33-F57 HydrophobicContact CB-CE2 3.95Å; N34-F57 PolarHBondContact OD1-N 3Å; R37-F57 HydrophobicContact CG-CE2 4.48Å; R37-F57 VanDerWaalsContact NH1-CE1 3.26Å; R37-F57 VanDerWaalsContact NH1-CZ 3.33Å; F57-L135 WeakPolarHBondContact CZ-O 3.32Å; F57-T140 HydrophobicContact CD1-CG2 4.27Å; F57-T140 HydrophobicContact CE1-CG2 3.44Å; F57-T140 VanDerWaalsContact CE1-CG2 3.44Å; F57-T140 WeakPolarHBondContact CE1-O 3.42Å; F57-T140 HydrophobicContact CZ-CG2 4.1Å; F57-T141 WeakPolarHBondContact CA-O 3.33Å; F57-I143 HydrophobicContact CB-CB 4.05Å; F57-I143 HydrophobicContact CB-CG2 3.49Å; F57-I143 VanDerWaalsContact CB-CG2 3.49Å; F57-I143 HydrophobicContact CD2-CB 4.31Å; F57-I143 HydrophobicContact CD2-CD1 4.08Å; F57-I143 HydrophobicContact CD2-CG2 4.31Å; F57-I143 HydrophobicContact CE2-CD1 4.36Å; F57-I143 HydrophobicContact CG-CB 4.12Å; F57-I143 HydrophobicContact CG-CG2 4.06Å; F57-Y165 HydrophobicContact CE2-CD1 4.38Å; F57-Y165 HydrophobicContact CE2-CE1 4.25Å; F57-Y165 HydrophobicContact CZ-CD1 4.11Å; F57-Y165 HydrophobicContact CZ-CE1 4.34Å
58	I	98.3	Very high	97.1	Very high	94 Å²	94	53.5 Å²	53.5	48%	0.482	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132	170.7	-58.6	170.4	0	0	0	107.9	T141 H142 I143	I58-T141 PolarHBondContact N-O 3.35Å; I58-H142 CarbonylContact O-C 3.53Å; I58-H142 WeakPolarHBondContact O-CA 3.26Å; I58-I143 PolarHBondContact O-N 3.42Å
59	W	98	Very high	97.4	Very high	69 Å²	69	57.2 Å²	57.2	26%	0.261	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139	175.9	-174.3	-95.9	0	0	0	111.3	T26 L30 D61 Y64 I143 C145	T26-W59 VanDerWaalsContact CB-CH2 3.49Å; T26-W59 HydrophobicContact CG2-CH2 3.52Å; T26-W59 HydrophobicContact CG2-CZ2 3.87Å; T26-W59 HydrophobicContact CG2-CZ3 4.48Å; L30-W59 HydrophobicContact CD2-CB 4.42Å; W59-D61 VanDerWaalsContact CD1-OD1 3.29Å; W59-D61 PolarHBondContact NE1-OD1 2.98Å; W59-Y64 HydrophobicContact CH2-CD2 4.11Å; W59-Y64 HydrophobicContact CH2-CG 4.42Å; W59-Y64 VanDerWaalsContact CZ2-CB 3.5Å; W59-Y64 AromaticContact CZ2-CD2 3.71Å; W59-Y64 HydrophobicContact CZ2-CD2 3.71Å; W59-Y64 AromaticContact CZ2-CG 3.65Å; W59-Y64 HydrophobicContact CZ2-CG 3.65Å; W59-I143 CarbonylContact C-O 3.56Å; W59-I143 WeakPolarHBondContact CA-O 3.15Å; W59-I143 HydrophobicContact CE3-CG2 4.43Å; W59-C145 HydrophobicContact CH2-CB 4.31Å; W59-C145 VanDerWaalsContact CH2-N 3.26Å; W59-C145 HydrophobicContact CZ3-CB 4.31Å
60	D	98.2	Very high	97.5	Very high	14 Å²	14	57.7 Å²	57.7	8%	0.075	28%	0.282	C	S	.	.			trans	-131.5	118.3	175.4	-174.9	-77.6	0	0	0	110.7	G62 L63 Y64 R88 W89 H142 I143	D60-G62 VanDerWaalsContact C-N 3.28Å; D60-G62 PolarHBondContact O-N 2.72Å; D60-G62 WeakPolarHBondContact OD1-CA 3.29Å; D60-G62 PolarHBondContact OD1-N 2.93Å; D60-L63 HydrophobicContact CB-CB 4.24Å; D60-L63 HydrophobicContact CB-CD1 3.93Å; D60-L63 HydrophobicContact CB-CG 4.02Å; D60-L63 PolarHBondContact O-N 2.94Å; D60-L63 PolarHBondContact OD1-N 3.23Å; D60-Y64 PolarHBondContact O-N 3.08Å; D60-R88 IonicContact OD2-CZ 3.95Å; D60-R88 IonicContact OD2-NH1 3.76Å; D60-R88 PolarHBondContact OD2-NH1 3.45Å; D60-W89 VanDerWaalsContact CG-NE1 3.34Å; D60-W89 PolarHBondContact OD2-NE1 2.8Å; D60-H142 HydrophobicContact CB-CB 4.12Å; D60-I143 PolarHBondContact N-O 3.48Å
61	D	96.5	Very high	97.6	Very high	109 Å²	109	57.7 Å²	57.7	58%	0.583	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-28.8	-176.1	-68	-30.8	0	0	0	113.1	W59 Y64 V65	W59-D61 VanDerWaalsContact CD1-OD1 3.29Å; W59-D61 PolarHBondContact NE1-OD1 2.98Å; D61-Y64 WeakPolarHBondContact O-CB 3.37Å; D61-Y64 PolarHBondContact O-N 2.85Å; D61-V65 VanDerWaalsContact O-CG2 3.29Å; D61-V65 WeakPolarHBondContact O-CG2 3.16Å; D61-V65 PolarHBondContact O-N 3.06Å
62	G	97.6	Very high	97.6	Very high	29 Å²	29	59.3 Å²	59.3	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-41	175.7	0	0	0	0	0	112	D60 Y64 T66 T86	D60-G62 VanDerWaalsContact C-N 3.28Å; D60-G62 PolarHBondContact O-N 2.72Å; D60-G62 WeakPolarHBondContact OD1-CA 3.29Å; D60-G62 PolarHBondContact OD1-N 2.93Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-T66 PolarHBondContact O-N 2.94Å; G62-T66 PolarHBondContact O-OG1 3.11Å; G62-T86 WeakPolarHBondContact O-CG2 3.26Å
63	L	98.6	Very high	97.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-39.5	172.6	-64.4	178.9	0	0	0	111.2	D60 T66 A67 T86 W89 V92 H142 N164 A166	D60-L63 HydrophobicContact CB-CB 4.24Å; D60-L63 HydrophobicContact CB-CD1 3.93Å; D60-L63 HydrophobicContact CB-CG 4.02Å; D60-L63 PolarHBondContact O-N 2.94Å; D60-L63 PolarHBondContact OD1-N 3.23Å; L63-T66 PolarHBondContact O-OG1 2.85Å; L63-A67 VanDerWaalsContact O-CB 3.24Å; L63-A67 WeakPolarHBondContact O-CB 3.27Å; L63-A67 PolarHBondContact O-N 3.08Å; L63-T86 HydrophobicContact CD2-CG2 3.88Å; L63-W89 HydrophobicContact CD2-CB 4.33Å; L63-W89 HydrophobicContact CD2-CG 4.25Å; L63-V92 HydrophobicContact CD2-CB 4.48Å; L63-V92 HydrophobicContact CD2-CG1 3.87Å; L63-V92 HydrophobicContact CD2-CG2 3.74Å; L63-H142 HydrophobicContact CD1-CB 3.95Å; L63-N164 HydrophobicContact CB-CB 4.04Å; L63-N164 HydrophobicContact CD2-CB 4.1Å; L63-N164 PolarHBondContact O-ND2 3.07Å; L63-A166 HydrophobicContact CD1-CB 3.77Å; L63-A166 HydrophobicContact CD2-CB 4.15Å
64	Y	97.4	Very high	97.5	Very high	64 Å²	64	52.3 Å²	52.3	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-52.2	175.3	159.6	-112.2	0	0	0	112.1	T26 W59 D60 D61 G62 T66 A67 Q68 C145	T26-Y64 HydrophobicContact CG2-CD2 4.45Å; T26-Y64 HydrophobicContact CG2-CE2 4.28Å; W59-Y64 HydrophobicContact CH2-CD2 4.11Å; W59-Y64 HydrophobicContact CH2-CG 4.42Å; W59-Y64 VanDerWaalsContact CZ2-CB 3.5Å; W59-Y64 AromaticContact CZ2-CD2 3.71Å; W59-Y64 HydrophobicContact CZ2-CD2 3.71Å; W59-Y64 AromaticContact CZ2-CG 3.65Å; W59-Y64 HydrophobicContact CZ2-CG 3.65Å; D60-Y64 PolarHBondContact O-N 3.08Å; D61-Y64 WeakPolarHBondContact O-CB 3.37Å; D61-Y64 PolarHBondContact O-N 2.85Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-T66 VanDerWaalsContact C-N 3.33Å; Y64-T66 PolarHBondContact O-N 3.37Å; Y64-A67 PolarHBondContact O-N 2.99Å; Y64-A67 VanDerWaalsContact O-N 3.14Å; Y64-Q68 HydrophobicContact CD2-CB 4.46Å; Y64-Q68 HydrophobicContact CE2-CB 4.04Å; Y64-Q68 HydrophobicContact CE2-CG 4.37Å; Y64-Q68 WeakPolarHBondContact O-CB 3.38Å; Y64-Q68 PolarHBondContact O-N 3.33Å; Y64-C145 VanDerWaalsContact CD2-O 3.24Å; Y64-C145 WeakPolarHBondContact CD2-O 3.32Å
65	V	96.8	Very high	97.3	Very high	68 Å²	68	56.3 Å²	56.3	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-46.8	-177.8	167.2	0	0	0	0	111.1	D61 Q68 Q69	D61-V65 VanDerWaalsContact O-CG2 3.29Å; D61-V65 WeakPolarHBondContact O-CG2 3.16Å; D61-V65 PolarHBondContact O-N 3.06Å; V65-Q68 PolarHBondContact O-N 3.39Å; V65-Q69 WeakPolarHBondContact O-CB 3.38Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.37Å; V65-Q69 PolarHBondContact O-N 2.81Å
66	T	97.8	Very high	97.1	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-36.6	178.6	51.7	0	0	0	0	112.4	G62 L63 Y64 Y70 T86 N164	G62-T66 PolarHBondContact O-N 2.94Å; G62-T66 PolarHBondContact O-OG1 3.11Å; L63-T66 PolarHBondContact O-OG1 2.85Å; Y64-T66 VanDerWaalsContact C-N 3.33Å; Y64-T66 PolarHBondContact O-N 3.37Å; T66-Y70 PolarHBondContact O-N 2.9Å; T66-Y70 VanDerWaalsContact O-N 3.16Å; T66-T86 HydrophobicContact CG2-CG2 4.09Å; T66-N164 PolarHBondContact OG1-ND2 2.69Å
67	A	98.2	Very high	97	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-41.2	174.8	0	0	0	0	0	112	L63 Y64 Y70 A71 V162 N164	L63-A67 VanDerWaalsContact O-CB 3.24Å; L63-A67 WeakPolarHBondContact O-CB 3.27Å; L63-A67 PolarHBondContact O-N 3.08Å; Y64-A67 PolarHBondContact O-N 2.99Å; Y64-A67 VanDerWaalsContact O-N 3.14Å; A67-Y70 PolarHBondContact O-N 2.99Å; A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.86Å; A67-V162 HydrophobicContact CB-CB 4.22Å; A67-V162 HydrophobicContact CB-CG1 3.91Å; A67-N164 HydrophobicContact CB-CB 4.28Å; A67-N164 PolarHBondContact N-ND2 3.23Å
68	Q	96.9	Very high	96.8	Very high	25 Å²	25	58.5 Å²	58.5	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-47.6	178.2	-174.8	59.4	49.1	0	0	111.6	Y64 V65 Y70 A71 E72 G146 V147	Y64-Q68 HydrophobicContact CD2-CB 4.46Å; Y64-Q68 HydrophobicContact CE2-CB 4.04Å; Y64-Q68 HydrophobicContact CE2-CG 4.37Å; Y64-Q68 WeakPolarHBondContact O-CB 3.38Å; Y64-Q68 PolarHBondContact O-N 3.33Å; V65-Q68 PolarHBondContact O-N 3.39Å; Q68-Y70 PolarHBondContact O-N 2.96Å; Q68-A71 PolarHBondContact O-N 2.89Å; Q68-A71 VanDerWaalsContact O-N 3.16Å; Q68-E72 WeakPolarHBondContact O-CG 3.07Å; Q68-E72 PolarHBondContact O-N 2.79Å; Q68-E72 VanDerWaalsContact O-N 3.14Å; Q68-G146 VanDerWaalsContact OE1-CA 3.24Å; Q68-V147 PolarHBondContact NE2-O 2.74Å; Q68-V147 PolarHBondContact OE1-O 3.28Å
69	Q	97.3	Very high	96.8	Very high	113 Å²	113	54.5 Å²	54.5	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-35.2	174.4	-73.6	173.8	-17.4	0	0	112.4	V65	V65-Q69 WeakPolarHBondContact O-CB 3.38Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.37Å; V65-Q69 PolarHBondContact O-N 2.81Å
70	Y	97.7	Very high	96.7	Very high	14 Å²	14	53 Å²	53	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-76.2	-38.9	176.6	-161.6	-109.8	0	0	0	112.5	T66 A67 Q68 E72 K73 E75 I77 V96 V162	T66-Y70 PolarHBondContact O-N 2.9Å; T66-Y70 VanDerWaalsContact O-N 3.16Å; A67-Y70 PolarHBondContact O-N 2.99Å; Q68-Y70 PolarHBondContact O-N 2.96Å; Y70-E72 PolarHBondContact O-N 3.16Å; Y70-K73 HydrophobicContact CD2-CD 3.77Å; Y70-K73 HydrophobicContact CE2-CD 3.81Å; Y70-K73 WeakPolarHBondContact O-CB 3.05Å; Y70-K73 PolarHBondContact O-N 3.47Å; Y70-E75 PolarHBondContact OH-OE2 2.95Å; Y70-I77 VanDerWaalsContact CE1-O 3.29Å; Y70-I77 WeakPolarHBondContact CE1-O 3.45Å; Y70-I77 PolarHBondContact OH-O 2.91Å; Y70-V96 HydrophobicContact CE1-CG2 4.29Å; Y70-V162 HydrophobicContact CD1-CG1 4.26Å; Y70-V162 HydrophobicContact CD1-CG2 4Å
71	A	96.6	Very high	96.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-36.8	177	0	0	0	0	0	112.2	A67 Q68 K73 C74 H148 M160 V162	A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.86Å; Q68-A71 PolarHBondContact O-N 2.89Å; Q68-A71 VanDerWaalsContact O-N 3.16Å; A71-K73 PolarHBondContact O-N 3.05Å; A71-C74 PolarHBondContact O-N 3.41Å; A71-H148 HydrophobicContact CB-CB 3.95Å; A71-H148 WeakPolarHBondContact O-CB 3.4Å; A71-M160 HydrophobicContact CB-CB 4.49Å; A71-M160 HydrophobicContact CB-CG 4.23Å; A71-M160 WeakPolarHBondContact O-CB 3.32Å; A71-M160 WeakPolarHBondContact O-CG 3.08Å; A71-V162 HydrophobicContact CB-CB 4.35Å; A71-V162 HydrophobicContact CB-CG2 3.85Å
72	E	95.7	Very high	96.6	Very high	105 Å²	105	60.5 Å²	60.5	49%	0.491	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	176.3	-73.6	167.5	-163.4	0	0	114.2	Q68 Y70 C74 H148	Q68-E72 WeakPolarHBondContact O-CG 3.07Å; Q68-E72 PolarHBondContact O-N 2.79Å; Q68-E72 VanDerWaalsContact O-N 3.14Å; Y70-E72 PolarHBondContact O-N 3.16Å; E72-C74 VanDerWaalsContact C-N 3.27Å; E72-C74 PolarHBondContact O-N 3.42Å; E72-H148 HydrophobicContact CG-CB 4.37Å
73	K	95.7	Very high	96.5	Very high	116 Å²	116	64 Å²	64	50%	0.504	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.1	175.1	-58.4	-175.2	-177.2	-179.4	0	112.8	Y70 A71 E75	Y70-K73 HydrophobicContact CD2-CD 3.77Å; Y70-K73 HydrophobicContact CE2-CD 3.81Å; Y70-K73 WeakPolarHBondContact O-CB 3.05Å; Y70-K73 PolarHBondContact O-N 3.47Å; A71-K73 PolarHBondContact O-N 3.05Å; K73-E75 HydrophobicContact CB-CG 4.11Å; K73-E75 PolarHBondContact O-N 2.95Å
74	C	96.1	Very high	96.4	Very high	22 Å²	22	65.4 Å²	65.4	15%	0.149	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	36	-177.7	-71.6	0	0	0	0	114.2	A71 E72 C150 N155	A71-C74 PolarHBondContact O-N 3.41Å; E72-C74 VanDerWaalsContact C-N 3.27Å; E72-C74 PolarHBondContact O-N 3.42Å; C74-C150 HydrophobicContact CB-CB 3.94Å; C74-C150 WeakPolarHBondContact CB-SG 3.25Å; C74-C150 WeakPolarHBondContact SG-CA 3.21Å; C74-C150 WeakPolarHBondContact SG-CB 3.36Å; C74-C150 CovalentContact SG-SG 2.03Å; C74-C150 PolarHBondContact SG-SG 3.46Å; C74-N155 PolarHBondContact O-ND2 3.11Å
75	E	94.5	Very high	96.4	Very high	85 Å²	85	64 Å²	64	40%	0.397	34%	0.336	S	S	.	.			trans	-98.3	118	175.5	-68	173.9	-176.3	0	0	110.3	Y70 K73 I77 M160	Y70-E75 PolarHBondContact OH-OE2 2.95Å; K73-E75 HydrophobicContact CB-CG 4.11Å; K73-E75 PolarHBondContact O-N 2.95Å; E75-I77 HydrophobicContact CB-CG1 4.24Å; E75-I77 PolarHBondContact O-N 2.9Å; E75-I77 VanDerWaalsContact O-N 3.08Å; E75-M160 VanDerWaalsContact C-CE 3.5Å
76	N	94.1	Very high	96.5	Very high	90 Å²	90	61.5 Å²	61.5	48%	0.481	32%	0.321	S	S	.	.	S	Bend	trans	-86.5	46.4	179.6	-167	38.3	0	0	0	112.4	Q98 M160	N76-Q98 HydrophobicContact CB-CB 4.13Å; N76-Q98 PolarHBondContact OD1-N 3.09Å; N76-M160 HydrophobicContact CB-CE 3.95Å
77	I	95.4	Very high	96.4	Very high	107 Å²	107	66.8 Å²	66.8	55%	0.549	36%	0.358	S	S	.	.	S	Bend	trans	-138.2	150.1	174.8	55	171.9	0	0	0	108.3	Y70 E75	Y70-I77 VanDerWaalsContact CE1-O 3.29Å; Y70-I77 WeakPolarHBondContact CE1-O 3.45Å; Y70-I77 PolarHBondContact OH-O 2.91Å; E75-I77 HydrophobicContact CB-CG1 4.24Å; E75-I77 PolarHBondContact O-N 2.9Å; E75-I77 VanDerWaalsContact O-N 3.08Å
78	P	96	Very high	96.4	Very high	82 Å²	82	73.8 Å²	73.8	53%	0.532	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64	140.3	174.3	-22.8	34.4	0	0	0	112
79	S	97.1	Very high	96.5	Very high	10 Å²	10	74.5 Å²	74.5	7%	0.07	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65	163.3	173.1	80.4	0	0	0	0	111.6	Q94	S79-Q94 PolarHBondContact OG-NE2 3.25Å; S79-Q94 PolarHBondContact OG-OE1 3.19Å
80	G	97.4	Very high	96.5	Very high	38 Å²	38	76.3 Å²	76.3	39%	0.392	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-56.1	149.3	169.3	0	0	0	0	0	111.7	H82 D83	G80-H82 PolarHBondContact O-N 3.42Å; G80-D83 PolarHBondContact N-OD2 3.38Å; G80-D83 PolarHBondContact O-N 3.24Å; G80-D83 VanDerWaalsContact O-N 3.16Å
81	L	96.1	Very high	96.5	Very high	130 Å²	130	78.7 Å²	78.7	68%	0.681	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.6	-177.6	-62.8	-177.1	0	0	0	112.6	R84 T85	L81-R84 VanDerWaalsContact CD2-CZ 3.47Å; L81-R84 WeakPolarHBondContact O-CG 3.38Å; L81-T85 WeakPolarHBondContact O-CG2 3.41Å
82	H	96	Very high	96.6	Very high	150 Å²	150	79 Å²	79	69%	0.694	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-38.4	179.3	-170.7	58.9	0	0	0	112.3	G80 R84 T85	G80-H82 PolarHBondContact O-N 3.42Å; H82-R84 PolarHBondContact O-N 2.7Å; H82-R84 VanDerWaalsContact O-N 3.15Å; H82-T85 PolarHBondContact O-N 3.42Å; H82-T85 VanDerWaalsContact O-N 3.12Å; H82-T85 PolarHBondContact O-OG1 3.02Å
83	D	95.9	Very high	96.7	Very high	104 Å²	104	74 Å²	74	56%	0.556	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.1	-174	-56	-29.1	0	0	0	113.7	G80	G80-D83 PolarHBondContact N-OD2 3.38Å; G80-D83 PolarHBondContact O-N 3.24Å; G80-D83 VanDerWaalsContact O-N 3.16Å
84	R	96.4	Very high	96.9	Very high	28 Å²	28	69.2 Å²	69.2	11%	0.106	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	5.8	179.6	60.8	-172.1	-166.6	-166	16.2	113.7	L81 H82 V92	L81-R84 VanDerWaalsContact CD2-CZ 3.47Å; L81-R84 WeakPolarHBondContact O-CG 3.38Å; H82-R84 PolarHBondContact O-N 2.7Å; H82-R84 VanDerWaalsContact O-N 3.15Å; R84-V92 HydrophobicContact CB-CB 4.48Å; R84-V92 HydrophobicContact CB-CG1 4.14Å; R84-V92 HydrophobicContact CG-CB 4.09Å; R84-V92 HydrophobicContact CG-CG1 4.14Å; R84-V92 PolarHBondContact NE-O 3.32Å; R84-V92 PolarHBondContact NH2-O 3.2Å; R84-V92 VanDerWaalsContact O-CB 3.29Å; R84-V92 WeakPolarHBondContact O-CB 3.22Å; R84-V92 WeakPolarHBondContact O-CG1 3.42Å; R84-V92 VanDerWaalsContact O-CG2 3.29Å; R84-V92 WeakPolarHBondContact O-CG2 3.33Å
85	T	97.8	Very high	97	Very high	34 Å²	34	68.4 Å²	68.4	21%	0.209	36%	0.363	C	S	.	.			trans	-73.9	154	174	63.2	0	0	0	0	111.1	L81 H82 W89 K90	L81-T85 WeakPolarHBondContact O-CG2 3.41Å; H82-T85 PolarHBondContact O-N 3.42Å; H82-T85 VanDerWaalsContact O-N 3.12Å; H82-T85 PolarHBondContact O-OG1 3.02Å; T85-W89 WeakPolarHBondContact CA-O 3.29Å; T85-W89 WeakPolarHBondContact CB-O 3.4Å; T85-K90 WeakPolarHBondContact CG2-O 3.35Å
86	T	97.3	Very high	97.1	Very high	17 Å²	17	64.9 Å²	64.9	10%	0.104	35%	0.347	C	S	.	.			trans	-120.7	177.4	174.9	79.9	0	0	0	0	110.2	G62 L63 T66 R88 W89 K90	G62-T86 WeakPolarHBondContact O-CG2 3.26Å; L63-T86 HydrophobicContact CD2-CG2 3.88Å; T66-T86 HydrophobicContact CG2-CG2 4.09Å; T86-R88 PolarHBondContact O-N 2.83Å; T86-R88 PolarHBondContact OG1-N 2.73Å; T86-R88 VanDerWaalsContact OG1-N 3.16Å; T86-W89 PolarHBondContact N-O 3.48Å; T86-W89 PolarHBondContact OG1-N 3.02Å; T86-K90 PolarHBondContact O-NZ 3.18Å
87	C	96.4	Very high	97.3	Very high	133 Å²	133	60.8 Å²	60.8	90%	0.899	33%	0.326	S	S	*	.	S	Bend	trans	-55.1	-40.4	170	-64.3	0	0	0	0	111.3
88	R	98.2	Very high	97.3	Very high	147 Å²	147	58.3 Å²	58.3	56%	0.555	31%	0.312	S	S	*	.	S	Bend	trans	-87.7	-34.6	-177.2	-173.4	177.2	179.3	-158.8	0.9	113.7	D60 T86 H142	D60-R88 IonicContact OD2-CZ 3.95Å; D60-R88 IonicContact OD2-NH1 3.76Å; D60-R88 PolarHBondContact OD2-NH1 3.45Å; T86-R88 PolarHBondContact O-N 2.83Å; T86-R88 PolarHBondContact OG1-N 2.73Å; T86-R88 VanDerWaalsContact OG1-N 3.16Å; R88-H142 PolarHBondContact NH1-CD2 3.41Å; R88-H142 PolarHBondContact NH1-NE2 3.06Å; R88-H142 PolarHBondContact NH2-NE2 3.49Å
89	W	98.3	Very high	97.3	Very high	39 Å²	39	54.9 Å²	54.9	15%	0.148	29%	0.29	C	S	.	.			trans	-119.5	115.2	-167	-55.5	116.5	0	0	0	112.2	D60 L63 T85 T86 V92 H142 A166	D60-W89 VanDerWaalsContact CG-NE1 3.34Å; D60-W89 PolarHBondContact OD2-NE1 2.8Å; L63-W89 HydrophobicContact CD2-CB 4.33Å; L63-W89 HydrophobicContact CD2-CG 4.25Å; T85-W89 WeakPolarHBondContact CA-O 3.29Å; T85-W89 WeakPolarHBondContact CB-O 3.4Å; T86-W89 PolarHBondContact N-O 3.48Å; T86-W89 PolarHBondContact OG1-N 3.02Å; W89-V92 HydrophobicContact CB-CG2 3.58Å; W89-H142 AromaticContact CH2-CE1 3.79Å; W89-H142 AromaticContact CH2-ND1 3.58Å; W89-H142 HydrophobicContact CZ2-CB 4.01Å; W89-H142 AromaticContact CZ2-CD2 3.75Å; W89-H142 AromaticContact CZ2-CE1 3.7Å; W89-H142 AromaticContact CZ2-CG 3.48Å; W89-H142 VanDerWaalsContact CZ2-CG 3.48Å; W89-H142 AromaticContact CZ2-ND1 3.45Å; W89-H142 WeakPolarHBondContact CZ2-ND1 3.49Å; W89-H142 AromaticContact CZ2-NE2 3.85Å; W89-A166 HydrophobicContact CB-CB 3.86Å; W89-A166 HydrophobicContact CD2-CB 3.33Å; W89-A166 HydrophobicContact CE3-CB 3.64Å; W89-A166 HydrophobicContact CG-CB 3.43Å; W89-A166 VanDerWaalsContact CG-CB 3.43Å; W89-A166 HydrophobicContact CZ2-CB 4.41Å; W89-A166 HydrophobicContact CZ3-CB 4.29Å
90	K	97.6	Very high	97.1	Very high	151 Å²	151	57.8 Å²	57.8	66%	0.657	31%	0.31	S	S	*	.	S	Bend	trans	-94.9	-21.4	176.7	-55.4	-52.4	178.7	-163.9	0	113.8	T85 T86	T85-K90 WeakPolarHBondContact CG2-O 3.35Å; T86-K90 PolarHBondContact O-NZ 3.18Å
91	S	98	Very high	96.9	Very high	65 Å²	65	58.3 Å²	58.3	46%	0.455	31%	0.308	S	S	.	.	S	Bend	trans	-111.7	101.4	172	177.7	0	0	0	0	108.2	P167 A168	S91-P167 WeakPolarHBondContact O-CA 3.31Å; S91-A168 PolarHBondContact O-N 2.92Å; S91-A168 VanDerWaalsContact OG-CB 3.26Å; S91-A168 WeakPolarHBondContact OG-CB 3.04Å; S91-A168 PolarHBondContact OG-N 3.24Å
92	V	98.7	Very high	96.7	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	28%	0.277	C	S	.	.			trans	-119.6	127.9	180	176.6	0	0	0	0	108.7	L63 R84 W89 N164 Y165 A168	L63-V92 HydrophobicContact CD2-CB 4.48Å; L63-V92 HydrophobicContact CD2-CG1 3.87Å; L63-V92 HydrophobicContact CD2-CG2 3.74Å; R84-V92 HydrophobicContact CB-CB 4.48Å; R84-V92 HydrophobicContact CB-CG1 4.14Å; R84-V92 HydrophobicContact CG-CB 4.09Å; R84-V92 HydrophobicContact CG-CG1 4.14Å; R84-V92 PolarHBondContact NE-O 3.32Å; R84-V92 PolarHBondContact NH2-O 3.2Å; R84-V92 VanDerWaalsContact O-CB 3.29Å; R84-V92 WeakPolarHBondContact O-CB 3.22Å; R84-V92 WeakPolarHBondContact O-CG1 3.42Å; R84-V92 VanDerWaalsContact O-CG2 3.29Å; R84-V92 WeakPolarHBondContact O-CG2 3.33Å; W89-V92 HydrophobicContact CB-CG2 3.58Å; V92-N164 HydrophobicContact CG1-CB 3.74Å; V92-Y165 CarbonylContact C-O 3.42Å; V92-Y165 VanDerWaalsContact CA-O 3.27Å; V92-Y165 WeakPolarHBondContact CA-O 3.43Å; V92-A168 VanDerWaalsContact C-CB 3.48Å
93	G	98.5	Very high	96.4	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	160.6	169	0	0	0	0	0	110	N164 Y165 A168	G93-N164 CarbonylContact O-C 3.52Å; G93-N164 WeakPolarHBondContact O-CA 3.23Å; G93-Y165 PolarHBondContact N-O 3.33Å; G93-Y165 PolarHBondContact O-N 3.01Å; G93-A168 VanDerWaalsContact N-CB 3.27Å
94	Q	98.5	Very high	96.3	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	134.2	179.5	-174.2	177.7	77.4	0	0	111	S79 V96 V162 C163 N164	S79-Q94 PolarHBondContact OG-NE2 3.25Å; S79-Q94 PolarHBondContact OG-OE1 3.19Å; Q94-V96 HydrophobicContact CG-CG2 3.83Å; Q94-V162 HydrophobicContact CG-CG1 3.77Å; Q94-C163 VanDerWaalsContact CA-O 3.31Å; Q94-C163 WeakPolarHBondContact CA-O 3.4Å; Q94-N164 VanDerWaalsContact CG-OD1 3.29Å; Q94-N164 WeakPolarHBondContact CG-OD1 3.35Å; Q94-N164 PolarHBondContact NE2-OD1 3.1Å
95	N	98.4	Very high	96.3	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.2	164.1	-67.6	-3.8	0	0	0	108	W109 M131 V162 C163 Y165	N95-W109 HydrophobicContact CB-CD2 3.64Å; N95-W109 VanDerWaalsContact CB-CE2 3.44Å; N95-W109 HydrophobicContact CB-CE3 4.03Å; N95-W109 HydrophobicContact CB-CG 4.12Å; N95-W109 HydrophobicContact CB-CH2 4.02Å; N95-W109 HydrophobicContact CB-CZ2 3.65Å; N95-W109 HydrophobicContact CB-CZ3 4.2Å; N95-M131 HydrophobicContact CB-CG 4.44Å; N95-M131 PolarHBondContact ND2-O 3.11Å; N95-M131 VanDerWaalsContact ND2-O 3.1Å; N95-M131 WeakPolarHBondContact OD1-CA 3.43Å; N95-V162 WeakPolarHBondContact O-CA 3.44Å; N95-C163 PolarHBondContact N-O 2.05Å; N95-C163 PolarHBondContact O-N 3.42Å; N95-Y165 HydrophobicContact CB-CE2 3.88Å; N95-Y165 PolarHBondContact ND2-OH 2.78Å
96	V	97.9	Very high	96.1	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.5	178.9	-177.8	0	0	0	0	108	Y70 Q94 W109 M160 V161 V162	Y70-V96 HydrophobicContact CE1-CG2 4.29Å; Q94-V96 HydrophobicContact CG-CG2 3.83Å; V96-W109 PolarHBondContact O-NE1 3.12Å; V96-W109 VanDerWaalsContact O-NE1 3.11Å; V96-M160 HydrophobicContact CG1-SD 3.4Å; V96-M160 WeakPolarHBondContact CG1-SD 3.41Å; V96-V161 CarbonylContact C-O 3.55Å; V96-V161 WeakPolarHBondContact CA-O 3.41Å; V96-V162 HydrophobicContact CG1-CG2 4.36Å; V96-V162 HydrophobicContact CG2-CG1 4.41Å; V96-V162 HydrophobicContact CG2-CG2 4.3Å
97	A	96.9	Very high	95.9	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	133.9	171.9	0	0	0	0	0	111.1	V99 A105 W109 V161	A97-V99 HydrophobicContact CB-CG1 4.06Å; A97-A105 HydrophobicContact CB-CB 3.88Å; A97-W109 HydrophobicContact CB-CZ2 3.84Å; A97-V161 PolarHBondContact N-O 3.15Å; A97-V161 PolarHBondContact O-N 3.32Å
98	Q	96.1	Very high	95.8	Very high	55 Å²	55	42.7 Å²	42.7	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.5	166	-176.5	172.7	-55.2	0	0	110.3	N76 N155 K158 Y159 M160	N76-Q98 HydrophobicContact CB-CB 4.13Å; N76-Q98 PolarHBondContact OD1-N 3.09Å; Q98-N155 VanDerWaalsContact CD-CG 3.45Å; Q98-N155 VanDerWaalsContact NE2-CG 3.33Å; Q98-N155 PolarHBondContact NE2-OD1 2.8Å; Q98-N155 PolarHBondContact OE1-ND2 3.38Å; Q98-N155 VanDerWaalsContact OE1-ND2 3.08Å; Q98-N155 PolarHBondContact OE1-OD1 3.3Å; Q98-N155 VanDerWaalsContact OE1-OD1 3.06Å; Q98-K158 HydrophobicContact CG-CB 3.65Å; Q98-K158 HydrophobicContact CG-CG 4.16Å; Q98-Y159 CarbonylContact C-O 3.56Å; Q98-Y159 WeakPolarHBondContact CA-O 3.32Å; Q98-M160 HydrophobicContact CB-CE 3.92Å; Q98-M160 HydrophobicContact CG-CE 4.4Å
99	V	95.8	Very high	95.8	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.8	-168.7	-70.6	0	0	0	0	113	A97 S101 D104 A105 K158 Y159 V161	A97-V99 HydrophobicContact CB-CG1 4.06Å; V99-S101 WeakPolarHBondContact CB-O 3.34Å; V99-S101 WeakPolarHBondContact CG2-O 3.42Å; V99-D104 HydrophobicContact CB-CB 3.95Å; V99-D104 HydrophobicContact CG1-CB 3.84Å; V99-A105 HydrophobicContact CG1-CB 4.44Å; V99-A105 HydrophobicContact CG2-CB 4.17Å; V99-K158 CarbonylContact O-C 3.59Å; V99-K158 WeakPolarHBondContact O-CA 3.05Å; V99-Y159 PolarHBondContact N-O 2.88Å; V99-Y159 PolarHBondContact O-N 3.4Å; V99-V161 HydrophobicContact CG2-CG2 3.83Å
100	S	94.2	Very high	95.7	Very high	70 Å²	70	36.4 Å²	36.4	49%	0.49	20%	0.2	S	C	.	.	S	Bend	trans	-81.7	-29.9	175.4	-46.1	0	0	0	0	112	K158	S100-K158 PolarHBondContact OG-NZ 2.87Å
101	S	92.6	Very high	95.6	Very high	49 Å²	49	32.2 Å²	32.2	34%	0.343	19%	0.185	S	C	.	.	S	Bend	trans	-130.4	141.9	175.3	175.4	0	0	0	0	109.5	V99 N103 D104	V99-S101 WeakPolarHBondContact CB-O 3.34Å; V99-S101 WeakPolarHBondContact CG2-O 3.42Å; S101-N103 PolarHBondContact O-N 2.93Å; S101-D104 WeakPolarHBondContact CB-OD2 3.42Å; S101-D104 PolarHBondContact N-OD2 3.18Å; S101-D104 VanDerWaalsContact O-CB 3.31Å; S101-D104 WeakPolarHBondContact O-CB 3.4Å; S101-D104 PolarHBondContact O-N 3.04Å
102	I	91.7	Very high	95.4	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-33.6	-179.2	-66.3	164.1	0	0	0	111.6	F25 L29 D104 A105 V147 Y159 V161	F25-I102 HydrophobicContact CB-CD1 4.04Å; F25-I102 HydrophobicContact CD1-CD1 3.23Å; F25-I102 HydrophobicContact CD2-CD1 3.42Å; F25-I102 VanDerWaalsContact CD2-CD1 3.42Å; F25-I102 HydrophobicContact CE1-CD1 3.34Å; F25-I102 HydrophobicContact CE2-CD1 3.51Å; F25-I102 HydrophobicContact CG-CD1 3.28Å; F25-I102 HydrophobicContact CZ-CD1 3.47Å; F25-I102 VanDerWaalsContact CZ-CD1 3.47Å; L29-I102 HydrophobicContact CD1-CG2 4.31Å; L29-I102 HydrophobicContact CD2-CG2 3.67Å; L29-I102 HydrophobicContact CG-CG2 3.95Å; I102-D104 PolarHBondContact O-N 3.43Å; I102-A105 WeakPolarHBondContact O-CB 3.4Å; I102-A105 PolarHBondContact O-N 2.78Å; I102-V147 HydrophobicContact CD1-CG1 3.81Å; I102-V147 HydrophobicContact CG1-CG1 4.02Å; I102-Y159 HydrophobicContact CD1-CD1 4.3Å; I102-Y159 HydrophobicContact CD1-CE1 4.36Å; I102-Y159 HydrophobicContact CG1-CD1 4.22Å; I102-Y159 HydrophobicContact CG1-CD2 4.23Å; I102-Y159 HydrophobicContact CG1-CG 3.99Å; I102-V161 HydrophobicContact CG1-CG2 4.4Å
103	N	90.1	Very high	95.3	Very high	67 Å²	67	30.2 Å²	30.2	36%	0.358	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-25.4	176.9	-69.1	-23.3	0	0	0	112.8	T28 S101 A105 N107	T28-N103 VanDerWaalsContact CG2-OD1 3.27Å; T28-N103 WeakPolarHBondContact CG2-OD1 3.32Å; S101-N103 PolarHBondContact O-N 2.93Å; N103-A105 VanDerWaalsContact C-N 3.27Å; N103-A105 PolarHBondContact O-N 3.03Å; N103-N107 PolarHBondContact O-ND2 3.3Å
104	D	94.1	Very high	95.2	Very high	63 Å²	63	38 Å²	38	34%	0.337	20%	0.201	S	C	.	.	H	α-helix	trans	-70.1	-26.6	179.3	-60.2	-27.9	0	0	0	111.7	V99 S101 I102 I106 N107 V108	V99-D104 HydrophobicContact CB-CB 3.95Å; V99-D104 HydrophobicContact CG1-CB 3.84Å; S101-D104 WeakPolarHBondContact CB-OD2 3.42Å; S101-D104 PolarHBondContact N-OD2 3.18Å; S101-D104 VanDerWaalsContact O-CB 3.31Å; S101-D104 WeakPolarHBondContact O-CB 3.4Å; S101-D104 PolarHBondContact O-N 3.04Å; I102-D104 PolarHBondContact O-N 3.43Å; D104-I106 PolarHBondContact O-N 3.43Å; D104-N107 WeakPolarHBondContact O-CB 3.1Å; D104-N107 PolarHBondContact O-N 3.35Å; D104-N107 VanDerWaalsContact O-N 3.12Å; D104-V108 WeakPolarHBondContact O-CG2 3.27Å; D104-V108 PolarHBondContact O-N 3.27Å
105	A	95.7	Very high	95.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-47	-179.3	0	0	0	0	0	111.5	A97 V99 I102 N103 N107 V108 W109 V161	A97-A105 HydrophobicContact CB-CB 3.88Å; V99-A105 HydrophobicContact CG1-CB 4.44Å; V99-A105 HydrophobicContact CG2-CB 4.17Å; I102-A105 WeakPolarHBondContact O-CB 3.4Å; I102-A105 PolarHBondContact O-N 2.78Å; N103-A105 VanDerWaalsContact C-N 3.27Å; N103-A105 PolarHBondContact O-N 3.03Å; A105-N107 VanDerWaalsContact C-N 3.31Å; A105-N107 PolarHBondContact O-N 3.42Å; A105-V108 PolarHBondContact O-N 3.11Å; A105-W109 HydrophobicContact CB-CH2 4.2Å; A105-W109 HydrophobicContact CB-CZ2 4.17Å; A105-W109 VanDerWaalsContact O-CD2 3.23Å; A105-W109 VanDerWaalsContact O-CG 3.23Å; A105-W109 PolarHBondContact O-N 3.35Å; A105-W109 VanDerWaalsContact O-N 3.11Å; A105-V161 HydrophobicContact CB-CB 3.82Å; A105-V161 HydrophobicContact CB-CG1 3.84Å; A105-V161 HydrophobicContact CB-CG2 3.98Å
106	I	93	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-35.8	176.9	-62.2	115.8	0	0	0	111.3	L29 H32 V36 D104 W109 R110	L29-I106 HydrophobicContact CD2-CD1 3.59Å; L29-I106 HydrophobicContact CD2-CG1 4.36Å; H32-I106 HydrophobicContact CB-CB 4.38Å; H32-I106 HydrophobicContact CB-CD1 3.41Å; H32-I106 VanDerWaalsContact CB-CD1 3.41Å; H32-I106 HydrophobicContact CB-CG1 3.87Å; H32-I106 HydrophobicContact CB-CG2 4.22Å; V36-I106 HydrophobicContact CG2-CG2 3.98Å; D104-I106 PolarHBondContact O-N 3.43Å; I106-W109 PolarHBondContact O-N 3.42Å; I106-R110 WeakPolarHBondContact O-CB 3.42Å; I106-R110 PolarHBondContact O-N 2.97Å
107	N	93.8	Very high	94.9	Very high	56 Å²	56	41.4 Å²	41.4	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-46.5	177.4	-69.3	-35.3	0	0	0	110.9	N103 D104 A105 W109 R110 D111	N103-N107 PolarHBondContact O-ND2 3.3Å; D104-N107 WeakPolarHBondContact O-CB 3.1Å; D104-N107 PolarHBondContact O-N 3.35Å; D104-N107 VanDerWaalsContact O-N 3.12Å; A105-N107 VanDerWaalsContact C-N 3.31Å; A105-N107 PolarHBondContact O-N 3.42Å; N107-W109 VanDerWaalsContact C-N 3.33Å; N107-W109 PolarHBondContact O-N 2.95Å; N107-R110 PolarHBondContact O-N 3.22Å; N107-R110 PolarHBondContact OD1-NH1 3.37Å; N107-R110 PolarHBondContact OD1-NH2 2.77Å; N107-D111 WeakPolarHBondContact O-CB 3.33Å; N107-D111 VanDerWaalsContact O-CG 3.25Å; N107-D111 PolarHBondContact O-N 2.88Å
108	V	94.9	Very high	94.9	Very high	74 Å²	74	41.7 Å²	41.7	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-56.2	-47.2	175.3	170.7	0	0	0	0	111.1	D104 A105	D104-V108 WeakPolarHBondContact O-CG2 3.27Å; D104-V108 PolarHBondContact O-N 3.27Å; A105-V108 PolarHBondContact O-N 3.11Å
109	W	97.3	Very high	94.7	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-71.7	-37.7	-178.1	-57.5	-24.4	0	0	0	113	H33 N95 V96 A97 A105 I106 N107 D111 M131 Y132 L135 V161 C163	H33-W109 AromaticContact CE1-CZ3 3.76Å; H33-W109 AromaticContact NE2-CE3 3.96Å; H33-W109 AromaticContact NE2-CZ3 3.7Å; N95-W109 HydrophobicContact CB-CD2 3.64Å; N95-W109 VanDerWaalsContact CB-CE2 3.44Å; N95-W109 HydrophobicContact CB-CE3 4.03Å; N95-W109 HydrophobicContact CB-CG 4.12Å; N95-W109 HydrophobicContact CB-CH2 4.02Å; N95-W109 HydrophobicContact CB-CZ2 3.65Å; N95-W109 HydrophobicContact CB-CZ3 4.2Å; V96-W109 PolarHBondContact O-NE1 3.12Å; V96-W109 VanDerWaalsContact O-NE1 3.11Å; A97-W109 HydrophobicContact CB-CZ2 3.84Å; A105-W109 HydrophobicContact CB-CH2 4.2Å; A105-W109 HydrophobicContact CB-CZ2 4.17Å; A105-W109 VanDerWaalsContact O-CD2 3.23Å; A105-W109 VanDerWaalsContact O-CG 3.23Å; A105-W109 PolarHBondContact O-N 3.35Å; A105-W109 VanDerWaalsContact O-N 3.11Å; I106-W109 PolarHBondContact O-N 3.42Å; N107-W109 VanDerWaalsContact C-N 3.33Å; N107-W109 PolarHBondContact O-N 2.95Å; W109-D111 VanDerWaalsContact C-N 3.34Å; W109-M131 HydrophobicContact CB-CB 4.04Å; W109-M131 HydrophobicContact CG-CB 4.15Å; W109-M131 HydrophobicContact CG-SD 4.31Å; W109-Y132 VanDerWaalsContact O-CA 3.26Å; W109-Y132 WeakPolarHBondContact O-CA 3.47Å; W109-Y132 WeakPolarHBondContact O-CB 3.49Å; W109-Y132 PolarHBondContact O-N 2.98Å; W109-L135 HydrophobicContact CB-CD1 3.77Å; W109-L135 HydrophobicContact CB-CG 4.31Å; W109-L135 HydrophobicContact CE3-CD2 4.22Å; W109-V161 HydrophobicContact CH2-CG1 3.89Å; W109-V161 HydrophobicContact CZ2-CG1 4.48Å; W109-C163 HydrophobicContact CH2-CB 4.03Å; W109-C163 HydrophobicContact CZ3-CB 4.08Å
110	R	96.1	Very high	94.7	Very high	53 Å²	53	50.2 Å²	50.2	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-71.4	-28.3	179.7	-174.6	-170.6	68.6	-142.7	-11.4	112.3	W35 V36 I106 N107 G112 S113 L135	W35-R110 VanDerWaalsContact CZ3-NH1 3.31Å; V36-R110 HydrophobicContact CG1-CG 4.24Å; V36-R110 HydrophobicContact CG2-CB 4.48Å; V36-R110 HydrophobicContact CG2-CG 4.13Å; I106-R110 WeakPolarHBondContact O-CB 3.42Å; I106-R110 PolarHBondContact O-N 2.97Å; N107-R110 PolarHBondContact O-N 3.22Å; N107-R110 PolarHBondContact OD1-NH1 3.37Å; N107-R110 PolarHBondContact OD1-NH2 2.77Å; R110-G112 PolarHBondContact O-N 3.41Å; R110-G112 VanDerWaalsContact O-N 3.11Å; R110-S113 VanDerWaalsContact O-CB 3.23Å; R110-S113 WeakPolarHBondContact O-CB 3.4Å; R110-S113 PolarHBondContact O-N 3.05Å; R110-S113 PolarHBondContact O-OG 3.27Å; R110-L135 HydrophobicContact CB-CD1 4.25Å
111	D	95.3	Very high	94.8	Very high	63 Å²	63	49 Å²	49	34%	0.337	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59.6	-23.8	-177.5	-87.9	2.1	0	0	0	113.5	N107 W109 S113 R114 F115	N107-D111 WeakPolarHBondContact O-CB 3.33Å; N107-D111 VanDerWaalsContact O-CG 3.25Å; N107-D111 PolarHBondContact O-N 2.88Å; W109-D111 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.16Å; D111-R114 WeakPolarHBondContact O-CB 3.48Å; D111-R114 PolarHBondContact O-N 3.03Å; D111-F115 WeakPolarHBondContact O-CD2 3.49Å
112	G	95.2	Very high	95	Very high	5 Å²	5	52 Å²	52	5%	0.052	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-52.9	-27	169.2	0	0	0	0	0	113.7	R110 R114 F115 Y116 C129	R110-G112 PolarHBondContact O-N 3.41Å; R110-G112 VanDerWaalsContact O-N 3.11Å; G112-R114 PolarHBondContact O-N 3.37Å; G112-F115 PolarHBondContact O-N 2.67Å; G112-F115 VanDerWaalsContact O-N 3.07Å; G112-Y116 WeakPolarHBondContact O-CB 3.44Å; G112-Y116 PolarHBondContact O-N 3.38Å; G112-C129 PolarHBondContact O-SG 3.28Å
113	S	95.9	Very high	95.3	Very high	23 Å²	23	53.9 Å²	53.9	16%	0.161	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.9	-27.2	174.9	64.6	0	0	0	0	114.2	R110 D111 F115 Y132	R110-S113 VanDerWaalsContact O-CB 3.23Å; R110-S113 WeakPolarHBondContact O-CB 3.4Å; R110-S113 PolarHBondContact O-N 3.05Å; R110-S113 PolarHBondContact O-OG 3.27Å; D111-S113 PolarHBondContact O-N 3.16Å; S113-F115 VanDerWaalsContact C-N 3.25Å; S113-F115 PolarHBondContact O-N 3.48Å; S113-Y132 VanDerWaalsContact CB-CE2 3.43Å
114	R	95.5	Very high	95.7	Very high	166 Å²	166	56.8 Å²	56.8	63%	0.626	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-73.9	-20.6	179	-60.8	171.3	64	-172.8	-0.7	112.7	D111 G112	D111-R114 WeakPolarHBondContact O-CB 3.48Å; D111-R114 PolarHBondContact O-N 3.03Å; G112-R114 PolarHBondContact O-N 3.37Å
115	F	96.1	Very high	95.8	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.167	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-9.3	-174.2	-50	-67.4	0	0	0	112.4	D111 G112 S113 K124 Y127	D111-F115 WeakPolarHBondContact O-CD2 3.49Å; G112-F115 PolarHBondContact O-N 2.67Å; G112-F115 VanDerWaalsContact O-N 3.07Å; S113-F115 VanDerWaalsContact C-N 3.25Å; S113-F115 PolarHBondContact O-N 3.48Å; F115-K124 HydrophobicContact CB-CB 4.23Å; F115-K124 HydrophobicContact CB-CD 4.46Å; F115-K124 HydrophobicContact CD1-CD 4.16Å; F115-K124 WeakPolarHBondContact O-CG 3.36Å; F115-K124 PolarHBondContact O-N 3.39Å; F115-Y127 HydrophobicContact CB-CD1 4.44Å; F115-Y127 HydrophobicContact CB-CD2 4.22Å; F115-Y127 HydrophobicContact CB-CG 3.91Å; F115-Y127 AromaticContact CD1-CD1 3.73Å; F115-Y127 HydrophobicContact CD1-CD1 3.73Å; F115-Y127 AromaticContact CD1-CD2 3.67Å; F115-Y127 HydrophobicContact CD1-CD2 3.67Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 AromaticContact CD1-CE2 3.63Å; F115-Y127 HydrophobicContact CD1-CE2 3.63Å; F115-Y127 AromaticContact CD1-CG 3.7Å; F115-Y127 HydrophobicContact CD1-CG 3.7Å; F115-Y127 AromaticContact CD1-CZ 3.65Å; F115-Y127 AromaticContact CD2-CD1 3.5Å; F115-Y127 HydrophobicContact CD2-CD1 3.5Å; F115-Y127 HydrophobicContact CD2-CE1 4.02Å; F115-Y127 AromaticContact CD2-CG 3.85Å; F115-Y127 HydrophobicContact CD2-CG 3.85Å; F115-Y127 AromaticContact CE1-CD1 3.77Å; F115-Y127 HydrophobicContact CE1-CD1 3.77Å; F115-Y127 HydrophobicContact CE1-CD2 4.21Å; F115-Y127 AromaticContact CE1-CE1 3.3Å; F115-Y127 HydrophobicContact CE1-CE1 3.3Å; F115-Y127 AromaticContact CE1-CE2 3.78Å; F115-Y127 HydrophobicContact CE1-CE2 3.78Å; F115-Y127 HydrophobicContact CE1-CG 4.2Å; F115-Y127 AromaticContact CE1-CZ 3.29Å; F115-Y127 AromaticContact CE2-CD1 3.53Å; F115-Y127 HydrophobicContact CE2-CD1 3.53Å; F115-Y127 AromaticContact CE2-CE1 3.63Å; F115-Y127 HydrophobicContact CE2-CE1 3.63Å; F115-Y127 HydrophobicContact CE2-CG 4.32Å; F115-Y127 AromaticContact CG-CD1 3.61Å; F115-Y127 HydrophobicContact CG-CD1 3.61Å; F115-Y127 AromaticContact CG-CD2 3.92Å; F115-Y127 HydrophobicContact CG-CD2 3.92Å; F115-Y127 HydrophobicContact CG-CE1 4.06Å; F115-Y127 HydrophobicContact CG-CE2 4.32Å; F115-Y127 AromaticContact CG-CG 3.52Å; F115-Y127 HydrophobicContact CG-CG 3.52Å; F115-Y127 AromaticContact CZ-CD1 3.68Å; F115-Y127 HydrophobicContact CZ-CD1 3.68Å; F115-Y127 AromaticContact CZ-CE1 3.26Å; F115-Y127 HydrophobicContact CZ-CE1 3.26Å; F115-Y127 HydrophobicContact CZ-CG 4.48Å; F115-Y127 AromaticContact CZ-CZ 3.76Å
116	Y	97.4	Very high	95.7	Very high	20 Å²	20	65.8 Å²	65.8	8%	0.078	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	-179	-176.6	-110.7	0	0	0	112.6	G112 L118 D121 E122 C129 Y132 K133 P174	G112-Y116 WeakPolarHBondContact O-CB 3.44Å; G112-Y116 PolarHBondContact O-N 3.38Å; Y116-L118 HydrophobicContact CE1-CB 4.12Å; Y116-L118 HydrophobicContact CE1-CD1 3.92Å; Y116-D121 WeakPolarHBondContact CE2-OD1 3.48Å; Y116-D121 PolarHBondContact OH-OD1 3.12Å; Y116-E122 CarbonylContact C-O 3.58Å; Y116-E122 WeakPolarHBondContact CA-O 3.39Å; Y116-E122 WeakPolarHBondContact CD2-O 3.43Å; Y116-C129 HydrophobicContact CD2-CB 4.08Å; Y116-C129 HydrophobicContact CG-CB 4.38Å; Y116-Y132 HydrophobicContact CD1-CD1 4.16Å; Y116-Y132 AromaticContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CE1-CE1 4.4Å; Y116-Y132 HydrophobicContact CG-CD1 4.27Å; Y116-Y132 HydrophobicContact CG-CE1 4.22Å; Y116-K133 HydrophobicContact CD2-CD 4.13Å; Y116-K133 HydrophobicContact CD2-CG 4.43Å; Y116-K133 HydrophobicContact CE2-CD 3.72Å; Y116-K133 HydrophobicContact CE2-CG 4.23Å; Y116-P174 HydrophobicContact CE1-CG 4.26Å; Y116-P174 WeakPolarHBondContact OH-CD 3.05Å
117	S	95.9	Very high	95.8	Very high	44 Å²	44	71.6 Å²	71.6	31%	0.308	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.6	169.2	176.5	0	0	0	0	109.8	K119 N120 D121 E122	S117-K119 VanDerWaalsContact C-N 3.28Å; S117-K119 PolarHBondContact O-N 3.4Å; S117-N120 PolarHBondContact O-N 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; S117-D121 VanDerWaalsContact O-CA 3.28Å; S117-D121 WeakPolarHBondContact O-CA 3.43Å; S117-D121 PolarHBondContact O-N 3.47Å; S117-E122 PolarHBondContact N-O 2.84Å; S117-E122 PolarHBondContact O-N 3.45Å
118	L	96	Very high	95.8	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.047	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-39.3	173.8	-176.3	68.3	0	0	0	111.5	Y116 N120 D121 R173 Y175 D177	Y116-L118 HydrophobicContact CE1-CB 4.12Å; Y116-L118 HydrophobicContact CE1-CD1 3.92Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.75Å; L118-D121 PolarHBondContact O-N 3.37Å; L118-R173 HydrophobicContact CD1-CB 4.13Å; L118-R173 HydrophobicContact CD1-CG 4.15Å; L118-R173 WeakPolarHBondContact O-CD 3.38Å; L118-R173 PolarHBondContact O-NE 3.31Å; L118-Y175 HydrophobicContact CD1-CD2 4.22Å; L118-Y175 HydrophobicContact CD1-CE2 4.05Å; L118-Y175 WeakPolarHBondContact CD1-O 3.46Å; L118-Y175 HydrophobicContact CD2-CD2 3.94Å; L118-Y175 HydrophobicContact CD2-CE2 3.39Å; L118-Y175 HydrophobicContact CG-CE2 4.37Å; L118-D177 HydrophobicContact CD2-CB 3.89Å; L118-D177 HydrophobicContact CG-CB 4.49Å
119	K	93.1	Very high	96	Very high	162 Å²	162	70.1 Å²	70.1	70%	0.704	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-43.2	-177.5	-177.7	-176.9	175.4	-175.2	0	112	S117 R173	S117-K119 VanDerWaalsContact C-N 3.28Å; S117-K119 PolarHBondContact O-N 3.4Å; K119-R173 PolarHBondContact O-NH2 3.41Å
120	N	94.8	Very high	95.9	Very high	84 Å²	84	73.2 Å²	73.2	45%	0.449	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-10.2	-177.3	-57.8	-12.4	0	0	0	113.2	S117 L118 E122	S117-N120 PolarHBondContact O-N 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; L118-N120 VanDerWaalsContact C-N 3.3Å; L118-N120 PolarHBondContact O-N 2.75Å; N120-E122 VanDerWaalsContact C-N 3.3Å; N120-E122 HydrophobicContact CB-CB 4.11Å; N120-E122 VanDerWaalsContact CB-CD 3.49Å; N120-E122 HydrophobicContact CB-CG 3.72Å; N120-E122 VanDerWaalsContact CB-OE2 3.23Å; N120-E122 WeakPolarHBondContact CB-OE2 3.34Å; N120-E122 PolarHBondContact ND2-OE2 3.31Å
121	D	96.7	Very high	96	Very high	45 Å²	45	72.8 Å²	72.8	24%	0.241	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.1	-165.6	-168.3	30.2	0	0	0	113.3	Y116 S117 L118 K133 G172 R173	Y116-D121 WeakPolarHBondContact CE2-OD1 3.48Å; Y116-D121 PolarHBondContact OH-OD1 3.12Å; S117-D121 VanDerWaalsContact O-CA 3.28Å; S117-D121 WeakPolarHBondContact O-CA 3.43Å; S117-D121 PolarHBondContact O-N 3.47Å; L118-D121 PolarHBondContact O-N 3.37Å; D121-K133 IonicContact OD1-NZ 2.96Å; D121-K133 PolarHBondContact OD1-NZ 3.4Å; D121-K133 IonicContact OD2-NZ 2.76Å; D121-G172 WeakPolarHBondContact OD2-CA 3.5Å; D121-R173 HydrophobicContact CB-CG 3.73Å; D121-R173 PolarHBondContact OD2-N 2.76Å
122	E	96.9	Very high	96.1	Very high	111 Å²	111	69.9 Å²	69.9	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.3	-175.5	-72.3	171.8	162	0	0	110.9	Y116 S117 N120	Y116-E122 CarbonylContact C-O 3.58Å; Y116-E122 WeakPolarHBondContact CA-O 3.39Å; Y116-E122 WeakPolarHBondContact CD2-O 3.43Å; S117-E122 PolarHBondContact N-O 2.84Å; S117-E122 PolarHBondContact O-N 3.45Å; N120-E122 VanDerWaalsContact C-N 3.3Å; N120-E122 HydrophobicContact CB-CB 4.11Å; N120-E122 VanDerWaalsContact CB-CD 3.49Å; N120-E122 HydrophobicContact CB-CG 3.72Å; N120-E122 VanDerWaalsContact CB-OE2 3.23Å; N120-E122 WeakPolarHBondContact CB-OE2 3.34Å; N120-E122 PolarHBondContact ND2-OE2 3.31Å
123	C	97.6	Very high	96.3	Very high	48 Å²	48	71.3 Å²	71.3	32%	0.324	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137	163.5	-164.9	0	0	0	0	108.3	Y127 C129	C123-Y127 PolarHBondContact SG-O 2.88Å; C123-Y127 VanDerWaalsContact SG-O 3.32Å; C123-C129 HydrophobicContact CB-CB 3.7Å; C123-C129 WeakPolarHBondContact CB-SG 3.44Å; C123-C129 WeakPolarHBondContact SG-CB 3.46Å; C123-C129 PolarHBondContact SG-N 2.69Å; C123-C129 CovalentContact SG-SG 2.04Å; C123-C129 PolarHBondContact SG-SG 3.23Å
124	K	97.6	Very high	96.4	Very high	128 Å²	128	70.8 Å²	70.8	56%	0.557	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-55.3	145.2	174.6	-73.6	178.1	179.6	173.8	0	110.6	F115 Y127	F115-K124 HydrophobicContact CB-CB 4.23Å; F115-K124 HydrophobicContact CB-CD 4.46Å; F115-K124 HydrophobicContact CD1-CD 4.16Å; F115-K124 WeakPolarHBondContact O-CG 3.36Å; F115-K124 PolarHBondContact O-N 3.39Å; K124-Y127 HydrophobicContact CB-CD2 3.83Å; K124-Y127 HydrophobicContact CB-CE2 4.46Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y127 VanDerWaalsContact O-N 3.16Å
125	A	96.5	Very high	96.5	Very high	80 Å²	80	62.9 Å²	62.9	66%	0.661	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	141.3	177.8	0	0	0	0	0	111.5	Y127	A125-Y127 VanDerWaalsContact O-CD2 3.29Å; A125-Y127 WeakPolarHBondContact O-CD2 3.16Å; A125-Y127 PolarHBondContact O-N 2.81Å
126	N	94.5	Very high	96.6	Very high	171 Å²	171	61 Å²	61	91%	0.914	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	10.4	-177.9	-48.3	-46.3	0	0	0	115.9
127	Y	95.3	Very high	96.7	Very high	123 Å²	123	60.4 Å²	60.4	48%	0.482	32%	0.317	S	S	.	.			trans	-114.6	153.9	171.5	-65.9	-81.7	0	0	0	111.4	F115 C123 K124 A125	F115-Y127 HydrophobicContact CB-CD1 4.44Å; F115-Y127 HydrophobicContact CB-CD2 4.22Å; F115-Y127 HydrophobicContact CB-CG 3.91Å; F115-Y127 AromaticContact CD1-CD1 3.73Å; F115-Y127 HydrophobicContact CD1-CD1 3.73Å; F115-Y127 AromaticContact CD1-CD2 3.67Å; F115-Y127 HydrophobicContact CD1-CD2 3.67Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 AromaticContact CD1-CE2 3.63Å; F115-Y127 HydrophobicContact CD1-CE2 3.63Å; F115-Y127 AromaticContact CD1-CG 3.7Å; F115-Y127 HydrophobicContact CD1-CG 3.7Å; F115-Y127 AromaticContact CD1-CZ 3.65Å; F115-Y127 AromaticContact CD2-CD1 3.5Å; F115-Y127 HydrophobicContact CD2-CD1 3.5Å; F115-Y127 HydrophobicContact CD2-CE1 4.02Å; F115-Y127 AromaticContact CD2-CG 3.85Å; F115-Y127 HydrophobicContact CD2-CG 3.85Å; F115-Y127 AromaticContact CE1-CD1 3.77Å; F115-Y127 HydrophobicContact CE1-CD1 3.77Å; F115-Y127 HydrophobicContact CE1-CD2 4.21Å; F115-Y127 AromaticContact CE1-CE1 3.3Å; F115-Y127 HydrophobicContact CE1-CE1 3.3Å; F115-Y127 AromaticContact CE1-CE2 3.78Å; F115-Y127 HydrophobicContact CE1-CE2 3.78Å; F115-Y127 HydrophobicContact CE1-CG 4.2Å; F115-Y127 AromaticContact CE1-CZ 3.29Å; F115-Y127 AromaticContact CE2-CD1 3.53Å; F115-Y127 HydrophobicContact CE2-CD1 3.53Å; F115-Y127 AromaticContact CE2-CE1 3.63Å; F115-Y127 HydrophobicContact CE2-CE1 3.63Å; F115-Y127 HydrophobicContact CE2-CG 4.32Å; F115-Y127 AromaticContact CG-CD1 3.61Å; F115-Y127 HydrophobicContact CG-CD1 3.61Å; F115-Y127 AromaticContact CG-CD2 3.92Å; F115-Y127 HydrophobicContact CG-CD2 3.92Å; F115-Y127 HydrophobicContact CG-CE1 4.06Å; F115-Y127 HydrophobicContact CG-CE2 4.32Å; F115-Y127 AromaticContact CG-CG 3.52Å; F115-Y127 HydrophobicContact CG-CG 3.52Å; F115-Y127 AromaticContact CZ-CD1 3.68Å; F115-Y127 HydrophobicContact CZ-CD1 3.68Å; F115-Y127 AromaticContact CZ-CE1 3.26Å; F115-Y127 HydrophobicContact CZ-CE1 3.26Å; F115-Y127 HydrophobicContact CZ-CG 4.48Å; F115-Y127 AromaticContact CZ-CZ 3.76Å; C123-Y127 PolarHBondContact SG-O 2.88Å; C123-Y127 VanDerWaalsContact SG-O 3.32Å; K124-Y127 HydrophobicContact CB-CD2 3.83Å; K124-Y127 HydrophobicContact CB-CE2 4.46Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y127 VanDerWaalsContact O-N 3.16Å; A125-Y127 VanDerWaalsContact O-CD2 3.29Å; A125-Y127 WeakPolarHBondContact O-CD2 3.16Å; A125-Y127 PolarHBondContact O-N 2.81Å
128	D	94.1	Very high	96.8	Very high	95 Å²	95	60.5 Å²	60.5	51%	0.508	31%	0.314	S	S	.	.			trans	-109.5	120.5	169.7	-176.6	13.9	0	0	0	110.2	S130	D128-S130 WeakPolarHBondContact OD1-CB 3.31Å; D128-S130 PolarHBondContact OD1-N 2.81Å; D128-S130 PolarHBondContact OD1-OG 3.23Å; D128-S130 PolarHBondContact OD2-OG 2.9Å
129	C	97.4	Very high	96.9	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.02	34%	0.342	C	S	.	.			trans	-105.4	0.9	177.6	-58.8	0	0	0	0	112.1	G112 Y116 C123 M131 Y132 K133	G112-C129 PolarHBondContact O-SG 3.28Å; Y116-C129 HydrophobicContact CD2-CB 4.08Å; Y116-C129 HydrophobicContact CG-CB 4.38Å; C123-C129 HydrophobicContact CB-CB 3.7Å; C123-C129 WeakPolarHBondContact CB-SG 3.44Å; C123-C129 WeakPolarHBondContact SG-CB 3.46Å; C123-C129 PolarHBondContact SG-N 2.69Å; C123-C129 CovalentContact SG-SG 2.04Å; C123-C129 PolarHBondContact SG-SG 3.23Å; C129-M131 PolarHBondContact O-N 3.4Å; C129-Y132 PolarHBondContact O-N 3.34Å; C129-K133 WeakPolarHBondContact O-CG 3.29Å; C129-K133 PolarHBondContact O-N 3.47Å
130	S	96.6	Very high	97.1	Very high	66 Å²	66	58 Å²	58	46%	0.462	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-44.6	-174.5	69.5	0	0	0	0	112	D128 Y132 K133 Q134	D128-S130 WeakPolarHBondContact OD1-CB 3.31Å; D128-S130 PolarHBondContact OD1-N 2.81Å; D128-S130 PolarHBondContact OD1-OG 3.23Å; D128-S130 PolarHBondContact OD2-OG 2.9Å; S130-Y132 PolarHBondContact O-N 2.82Å; S130-K133 PolarHBondContact O-N 3.45Å; S130-Q134 PolarHBondContact O-N 3.35Å
131	M	97.3	Very high	97.3	Very high	45 Å²	45	56.2 Å²	56.2	22%	0.222	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178	-64.6	-178	-74	0	0	111.7	N95 W109 C129 Q134 L135	N95-M131 HydrophobicContact CB-CG 4.44Å; N95-M131 PolarHBondContact ND2-O 3.11Å; N95-M131 VanDerWaalsContact ND2-O 3.1Å; N95-M131 WeakPolarHBondContact OD1-CA 3.43Å; W109-M131 HydrophobicContact CB-CB 4.04Å; W109-M131 HydrophobicContact CG-CB 4.15Å; W109-M131 HydrophobicContact CG-SD 4.31Å; C129-M131 PolarHBondContact O-N 3.4Å; M131-Q134 WeakPolarHBondContact O-CB 3.48Å; M131-Q134 PolarHBondContact O-N 2.78Å; M131-L135 WeakPolarHBondContact O-CG 3.1Å; M131-L135 PolarHBondContact O-N 2.66Å
132	Y	97.9	Very high	97.4	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-49.5	173.3	166.4	-109.4	0	0	0	111.1	W109 S113 Y116 C129 S130 Q134 L135 V136 Y175	W109-Y132 VanDerWaalsContact O-CA 3.26Å; W109-Y132 WeakPolarHBondContact O-CA 3.47Å; W109-Y132 WeakPolarHBondContact O-CB 3.49Å; W109-Y132 PolarHBondContact O-N 2.98Å; S113-Y132 VanDerWaalsContact CB-CE2 3.43Å; Y116-Y132 HydrophobicContact CD1-CD1 4.16Å; Y116-Y132 AromaticContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CD1-CE1 3.67Å; Y116-Y132 HydrophobicContact CE1-CE1 4.4Å; Y116-Y132 HydrophobicContact CG-CD1 4.27Å; Y116-Y132 HydrophobicContact CG-CE1 4.22Å; C129-Y132 PolarHBondContact O-N 3.34Å; S130-Y132 PolarHBondContact O-N 2.82Å; Y132-Q134 PolarHBondContact O-N 3.26Å; Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 3.12Å; Y132-V136 HydrophobicContact CD1-CG2 4.49Å; Y132-V136 HydrophobicContact CD2-CG1 4.39Å; Y132-V136 HydrophobicContact CD2-CG2 4.44Å; Y132-V136 HydrophobicContact CE1-CG2 3.98Å; Y132-V136 HydrophobicContact CE2-CB 4.5Å; Y132-V136 HydrophobicContact CE2-CG1 3.73Å; Y132-V136 HydrophobicContact CE2-CG2 3.92Å; Y132-V136 WeakPolarHBondContact O-CG2 3.32Å; Y132-V136 PolarHBondContact O-N 3.28Å; Y132-Y175 PolarHBondContact OH-OH 3.45Å
133	K	98.2	Very high	97.5	Very high	36 Å²	36	49.7 Å²	49.7	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-35	179.4	-71.9	175	66.8	158.6	0	111.5	Y116 D121 C129 S130 N137 G172 P174	Y116-K133 HydrophobicContact CD2-CD 4.13Å; Y116-K133 HydrophobicContact CD2-CG 4.43Å; Y116-K133 HydrophobicContact CE2-CD 3.72Å; Y116-K133 HydrophobicContact CE2-CG 4.23Å; D121-K133 IonicContact OD1-NZ 2.96Å; D121-K133 PolarHBondContact OD1-NZ 3.4Å; D121-K133 IonicContact OD2-NZ 2.76Å; C129-K133 WeakPolarHBondContact O-CG 3.29Å; C129-K133 PolarHBondContact O-N 3.47Å; S130-K133 PolarHBondContact O-N 3.45Å; K133-N137 WeakPolarHBondContact O-CB 3.38Å; K133-N137 PolarHBondContact O-N 2.79Å; K133-G172 WeakPolarHBondContact CE-O 3.46Å; K133-G172 PolarHBondContact NZ-O 3.03Å; K133-P174 HydrophobicContact CB-CB 4.26Å; K133-P174 HydrophobicContact CB-CG 4.43Å; K133-P174 HydrophobicContact CG-CG 4.18Å; K133-P174 WeakPolarHBondContact O-CB 3.06Å
134	Q	98.3	Very high	97.5	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-42	174.4	-176.5	58.4	81.6	0	0	112.7	S130 M131 Y132 V136 T140 Y165 A169	S130-Q134 PolarHBondContact O-N 3.35Å; M131-Q134 WeakPolarHBondContact O-CB 3.48Å; M131-Q134 PolarHBondContact O-N 2.78Å; Y132-Q134 PolarHBondContact O-N 3.26Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.47Å; Q134-T140 PolarHBondContact NE2-OG1 3.28Å; Q134-T140 VanDerWaalsContact NE2-OG1 3.09Å; Q134-Y165 HydrophobicContact CG-CD1 4.13Å; Q134-Y165 HydrophobicContact CG-CD2 3.27Å; Q134-Y165 HydrophobicContact CG-CE1 4.33Å; Q134-Y165 HydrophobicContact CG-CE2 3.52Å; Q134-Y165 HydrophobicContact CG-CG 3.6Å; Q134-Y165 VanDerWaalsContact NE2-CB 3.33Å; Q134-A169 HydrophobicContact CB-CB 4.37Å
135	L	98.1	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-40.8	177.9	-65.6	177.1	0	0	0	112.5	H33 V36 R37 F57 W109 R110 M131 Y132 Y165	H33-L135 WeakPolarHBondContact CD2-CD2 2.94Å; H33-L135 VanDerWaalsContact NE2-CD2 3.32Å; H33-L135 WeakPolarHBondContact NE2-CD2 3.49Å; V36-L135 HydrophobicContact CG1-CB 4.43Å; V36-L135 HydrophobicContact CG1-CD1 4.36Å; R37-L135 WeakPolarHBondContact CD-O 3.47Å; R37-L135 VanDerWaalsContact CG-O 3.29Å; R37-L135 WeakPolarHBondContact CG-O 3.3Å; R37-L135 PolarHBondContact NH1-O 2.99Å; F57-L135 WeakPolarHBondContact CZ-O 3.32Å; W109-L135 HydrophobicContact CB-CD1 3.77Å; W109-L135 HydrophobicContact CB-CG 4.31Å; W109-L135 HydrophobicContact CE3-CD2 4.22Å; R110-L135 HydrophobicContact CB-CD1 4.25Å; M131-L135 WeakPolarHBondContact O-CG 3.1Å; M131-L135 PolarHBondContact O-N 2.66Å; Y132-L135 WeakPolarHBondContact O-CB 3.4Å; Y132-L135 PolarHBondContact O-N 3.12Å; L135-Y165 HydrophobicContact CD2-CE1 4.5Å
136	V	98.2	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	10.1	-171.2	-59.1	0	0	0	0	113.4	V36 R40 L54 Y132 Q134 I138 P174 Y175	V36-V136 HydrophobicContact CG1-CG1 3.85Å; R40-V136 HydrophobicContact CG-CB 4.41Å; R40-V136 HydrophobicContact CG-CG1 3.95Å; L54-V136 HydrophobicContact CD1-CB 3.96Å; L54-V136 WeakPolarHBondContact CD1-O 3.02Å; Y132-V136 HydrophobicContact CD1-CG2 4.49Å; Y132-V136 HydrophobicContact CD2-CG1 4.39Å; Y132-V136 HydrophobicContact CD2-CG2 4.44Å; Y132-V136 HydrophobicContact CE1-CG2 3.98Å; Y132-V136 HydrophobicContact CE2-CB 4.5Å; Y132-V136 HydrophobicContact CE2-CG1 3.73Å; Y132-V136 HydrophobicContact CE2-CG2 3.92Å; Y132-V136 WeakPolarHBondContact O-CG2 3.32Å; Y132-V136 PolarHBondContact O-N 3.28Å; Q134-V136 VanDerWaalsContact C-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.47Å; V136-I138 PolarHBondContact O-N 3.44Å; V136-P174 HydrophobicContact CG2-CB 3.79Å; V136-P174 HydrophobicContact CG2-CG 3.73Å; V136-Y175 HydrophobicContact CB-CD1 4.13Å; V136-Y175 HydrophobicContact CB-CE1 3.76Å; V136-Y175 HydrophobicContact CG2-CD1 4.01Å; V136-Y175 HydrophobicContact CG2-CE1 3.52Å; V136-Y175 VanDerWaalsContact O-CD1 3.3Å; V136-Y175 WeakPolarHBondContact O-CD1 3.28Å
137	N	98.7	Very high	97.6	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.153	C	C	.	.			trans	-65.3	125.7	179.9	-169.5	-82.6	0	0	0	111.2	R37 K133 N139 T140 A169 P174	R37-N137 PolarHBondContact NH1-O 3.17Å; K133-N137 WeakPolarHBondContact O-CB 3.38Å; K133-N137 PolarHBondContact O-N 2.79Å; N137-N139 VanDerWaalsContact C-N 3.32Å; N137-N139 PolarHBondContact O-N 3.34Å; N137-N139 WeakPolarHBondContact OD1-CA 3.2Å; N137-N139 WeakPolarHBondContact OD1-CB 3.39Å; N137-N139 PolarHBondContact OD1-N 2.62Å; N137-T140 PolarHBondContact O-N 3.2Å; N137-T140 PolarHBondContact OD1-N 3Å; N137-T140 VanDerWaalsContact OD1-N 3.16Å; N137-A169 HydrophobicContact CB-CB 3.81Å; N137-P174 CarbonylContact C-O 3.53Å; N137-P174 WeakPolarHBondContact CA-O 3.42Å; N137-P174 HydrophobicContact CB-CB 4.41Å
138	I	98.4	Very high	97.6	Very high	45 Å²	45	26.3 Å²	26.3	23%	0.231	14%	0.142	C	C	.	.	S	Bend	trans	-67.1	-32	-176.9	-168.5	167.1	0	0	0	113	K52 L54 V136 P174	K52-I138 HydrophobicContact CB-CD1 3.63Å; K52-I138 HydrophobicContact CD-CD1 4.26Å; L54-I138 HydrophobicContact CD2-CB 3.75Å; L54-I138 HydrophobicContact CD2-CD1 4.33Å; L54-I138 HydrophobicContact CD2-CG1 3.9Å; V136-I138 PolarHBondContact O-N 3.44Å; I138-P174 WeakPolarHBondContact CG2-O 3.42Å; I138-P174 PolarHBondContact N-O 3.01Å
139	N	98.1	Very high	97.7	Very high	119 Å²	119	26 Å²	26	64%	0.636	14%	0.14	S	C	*	.	S	Bend	trans	-84.4	-20.6	-177.2	-63.5	-35.8	0	0	0	112.1	N137 T141 P167	N137-N139 VanDerWaalsContact C-N 3.32Å; N137-N139 PolarHBondContact O-N 3.34Å; N137-N139 WeakPolarHBondContact OD1-CA 3.2Å; N137-N139 WeakPolarHBondContact OD1-CB 3.39Å; N137-N139 PolarHBondContact OD1-N 2.62Å; N139-T141 PolarHBondContact O-N 3.24Å; N139-P167 WeakPolarHBondContact O-CD 3.29Å
140	T	98.8	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.			trans	-71.7	124.4	171.3	-57.6	0	0	0	0	109.7	R37 F57 Q134 N137 Y165 P167	R37-T140 PolarHBondContact NH2-O 3.5Å; F57-T140 HydrophobicContact CD1-CG2 4.27Å; F57-T140 HydrophobicContact CE1-CG2 3.44Å; F57-T140 VanDerWaalsContact CE1-CG2 3.44Å; F57-T140 WeakPolarHBondContact CE1-O 3.42Å; F57-T140 HydrophobicContact CZ-CG2 4.1Å; Q134-T140 PolarHBondContact NE2-OG1 3.28Å; Q134-T140 VanDerWaalsContact NE2-OG1 3.09Å; N137-T140 PolarHBondContact O-N 3.2Å; N137-T140 PolarHBondContact OD1-N 3Å; N137-T140 VanDerWaalsContact OD1-N 3.16Å; T140-Y165 HydrophobicContact CG2-CD1 4.28Å; T140-Y165 HydrophobicContact CG2-CG 4.42Å; T140-P167 WeakPolarHBondContact CB-O 3.39Å; T140-P167 PolarHBondContact OG1-O 2.89Å
141	T	98.6	Very high	97.4	Very high	47 Å²	47	27.8 Å²	27.8	29%	0.288	14%	0.144	S	C	.	.			trans	-119.6	-30.8	-174.7	48.8	0	0	0	0	112.8	F57 I58 N139 A166	F57-T141 WeakPolarHBondContact CA-O 3.33Å; I58-T141 PolarHBondContact N-O 3.35Å; N139-T141 PolarHBondContact O-N 3.24Å; T141-A166 PolarHBondContact N-O 3.18Å; T141-A166 PolarHBondContact OG1-O 2.9Å
142	H	98.8	Very high	97	Very high	19 Å²	19	32.8 Å²	32.8	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.6	-175.5	-63.7	69.1	0	0	0	112	I58 D60 L63 R88 W89 Y165 A166	I58-H142 CarbonylContact O-C 3.53Å; I58-H142 WeakPolarHBondContact O-CA 3.26Å; D60-H142 HydrophobicContact CB-CB 4.12Å; L63-H142 HydrophobicContact CD1-CB 3.95Å; R88-H142 PolarHBondContact NH1-CD2 3.41Å; R88-H142 PolarHBondContact NH1-NE2 3.06Å; R88-H142 PolarHBondContact NH2-NE2 3.49Å; W89-H142 AromaticContact CH2-CE1 3.79Å; W89-H142 AromaticContact CH2-ND1 3.58Å; W89-H142 HydrophobicContact CZ2-CB 4.01Å; W89-H142 AromaticContact CZ2-CD2 3.75Å; W89-H142 AromaticContact CZ2-CE1 3.7Å; W89-H142 AromaticContact CZ2-CG 3.48Å; W89-H142 VanDerWaalsContact CZ2-CG 3.48Å; W89-H142 AromaticContact CZ2-ND1 3.45Å; W89-H142 WeakPolarHBondContact CZ2-ND1 3.49Å; W89-H142 AromaticContact CZ2-NE2 3.85Å; H142-Y165 WeakPolarHBondContact O-CA 3.43Å; H142-A166 HydrophobicContact CB-CB 4.48Å; H142-A166 PolarHBondContact N-O 3.34Å; H142-A166 PolarHBondContact O-N 2.73Å
143	I	98.7	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.1	177.7	-166.8	176.4	0	0	0	110.6	L30 H33 F57 I58 W59 D60 C163 N164 Y165	L30-I143 HydrophobicContact CD1-CG2 3.56Å; H33-I143 HydrophobicContact CB-CD1 4.32Å; H33-I143 VanDerWaalsContact CD2-CD1 3.42Å; H33-I143 WeakPolarHBondContact CD2-CD1 3.3Å; F57-I143 HydrophobicContact CB-CB 4.05Å; F57-I143 HydrophobicContact CB-CG2 3.49Å; F57-I143 VanDerWaalsContact CB-CG2 3.49Å; F57-I143 HydrophobicContact CD2-CB 4.31Å; F57-I143 HydrophobicContact CD2-CD1 4.08Å; F57-I143 HydrophobicContact CD2-CG2 4.31Å; F57-I143 HydrophobicContact CE2-CD1 4.36Å; F57-I143 HydrophobicContact CG-CB 4.12Å; F57-I143 HydrophobicContact CG-CG2 4.06Å; I58-I143 PolarHBondContact O-N 3.42Å; W59-I143 CarbonylContact C-O 3.56Å; W59-I143 WeakPolarHBondContact CA-O 3.15Å; W59-I143 HydrophobicContact CE3-CG2 4.43Å; D60-I143 PolarHBondContact N-O 3.48Å; I143-C163 HydrophobicContact CD1-CB 4.34Å; I143-C163 HydrophobicContact CG1-CB 4.47Å; I143-N164 VanDerWaalsContact CA-O 3.32Å; I143-N164 WeakPolarHBondContact CA-O 3.37Å; I143-Y165 HydrophobicContact CB-CD1 4.45Å; I143-Y165 HydrophobicContact CD1-CD1 4.03Å; I143-Y165 HydrophobicContact CD1-CE1 3.53Å; I143-Y165 HydrophobicContact CG1-CD1 3.93Å; I143-Y165 HydrophobicContact CG1-CE1 3.9Å
144	G	98.2	Very high	95.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	134.9	162.9	0	0	0	0	0	109.6	N164	G144-N164 PolarHBondContact N-O 2.73Å; G144-N164 PolarHBondContact O-N 3.42Å
145	C	98.2	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.5	-172.8	-58.9	0	0	0	0	112.7	L29 W59 Y64 V162 C163	L29-C145 HydrophobicContact CB-CB 4.31Å; L29-C145 HydrophobicContact CD1-CB 3.53Å; W59-C145 HydrophobicContact CH2-CB 4.31Å; W59-C145 VanDerWaalsContact CH2-N 3.26Å; W59-C145 HydrophobicContact CZ3-CB 4.31Å; Y64-C145 VanDerWaalsContact CD2-O 3.24Å; Y64-C145 WeakPolarHBondContact CD2-O 3.32Å; C145-V162 CarbonylContact C-O 3.54Å; C145-V162 WeakPolarHBondContact CA-O 3.45Å; C145-C163 HydrophobicContact CB-CB 4.11Å; C145-C163 WeakPolarHBondContact CB-SG 3.46Å; C145-C163 WeakPolarHBondContact SG-CB 3.28Å; C145-C163 CovalentContact SG-SG 2.04Å; C145-C163 PolarHBondContact SG-SG 3.32Å
146	G	96.7	Very high	94.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149	172.9	0	0	0	0	0	112.1	Q68 V162	Q68-G146 VanDerWaalsContact OE1-CA 3.24Å; G146-V162 PolarHBondContact N-O 3.48Å; G146-V162 PolarHBondContact O-N 3.02Å
147	V	96.1	Very high	94.1	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136	177	-178.1	0	0	0	0	109.3	F25 L29 Q68 I102 Y159 M160 V161	F25-V147 HydrophobicContact CB-CG2 4.37Å; F25-V147 HydrophobicContact CD2-CG1 4.38Å; L29-V147 HydrophobicContact CD1-CG2 3.73Å; Q68-V147 PolarHBondContact NE2-O 2.74Å; Q68-V147 PolarHBondContact OE1-O 3.28Å; I102-V147 HydrophobicContact CD1-CG1 3.81Å; I102-V147 HydrophobicContact CG1-CG1 4.02Å; V147-Y159 HydrophobicContact CG1-CD1 3.73Å; V147-Y159 HydrophobicContact CG1-CG 4.41Å; V147-M160 WeakPolarHBondContact CA-O 3.45Å; V147-V161 HydrophobicContact CG1-CG2 4.5Å; V147-V161 HydrophobicContact CG2-CG1 4.36Å; V147-V161 HydrophobicContact CG2-CG2 4.44Å
148	H	95	Very high	94	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.245	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.6	174.3	-171.9	78.2	0	0	0	111.3	A71 E72 C150 Y159 M160	A71-H148 HydrophobicContact CB-CB 3.95Å; A71-H148 WeakPolarHBondContact O-CB 3.4Å; E72-H148 HydrophobicContact CG-CB 4.37Å; H148-C150 PolarHBondContact O-N 2.76Å; H148-Y159 CarbonylContact O-C 3.59Å; H148-Y159 WeakPolarHBondContact O-CA 3.14Å; H148-M160 PolarHBondContact N-O 2.7Å; H148-M160 PolarHBondContact O-N 2.55Å
149	L	94.7	Very high	93.8	Very high	87 Å²	87	58.8 Å²	58.8	46%	0.455	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	108.3	172.4	-179.2	62.6	0	0	0	109.7	N151 Y159	L149-N151 PolarHBondContact O-N 3.25Å; L149-Y159 HydrophobicContact CB-CD1 4.16Å; L149-Y159 HydrophobicContact CB-CE1 3.98Å; L149-Y159 HydrophobicContact CD1-CD1 4.18Å; L149-Y159 HydrophobicContact CD1-CE1 4.01Å; L149-Y159 HydrophobicContact CD1-CE2 4.38Å; L149-Y159 HydrophobicContact CD1-CG 4.45Å; L149-Y159 HydrophobicContact CG-CE1 4.47Å
150	C	96	Very high	93.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	28%	0.277	C	S	.	.			trans	-68.4	130.7	-178.6	-62	0	0	0	0	111.3	C74 H148 N155 K156 G157 K158	C74-C150 HydrophobicContact CB-CB 3.94Å; C74-C150 WeakPolarHBondContact CB-SG 3.25Å; C74-C150 WeakPolarHBondContact SG-CA 3.21Å; C74-C150 WeakPolarHBondContact SG-CB 3.36Å; C74-C150 CovalentContact SG-SG 2.03Å; C74-C150 PolarHBondContact SG-SG 3.46Å; H148-C150 PolarHBondContact O-N 2.76Å; C150-N155 HydrophobicContact CB-CB 3.91Å; C150-N155 VanDerWaalsContact CB-O 3.29Å; C150-N155 WeakPolarHBondContact CB-O 3.16Å; C150-K156 CarbonylContact O-C 3.54Å; C150-K156 WeakPolarHBondContact O-CA 3.48Å; C150-G157 PolarHBondContact O-N 2.04Å; C150-K158 WeakPolarHBondContact CB-O 3.18Å; C150-K158 PolarHBondContact N-O 2.8Å
151	N	92.4	Very high	93.7	Very high	106 Å²	106	53.1 Å²	53.1	57%	0.567	28%	0.277	S	S	*	.			trans	-115.8	1.5	-175.5	62.3	7.7	0	0	0	114.2	L149	L149-N151 PolarHBondContact O-N 3.25Å
152	K	88.3	Confident	93.7	Very high	150 Å²	150	50.9 Å²	50.9	65%	0.652	26%	0.264	S	S	*	.	S	Bend	trans	-124.9	158.2	-176.3	-70.6	170.4	-171.5	179.9	0	112.1	N155 K156	K152-N155 PolarHBondContact O-N 3.19Å; K152-K156 PolarHBondContact O-N 2.98Å
153	N	79.3	Confident	93.6	Very high	148 Å²	148	50 Å²	50	79%	0.791	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	57.2	-153.7	171.9	-53.9	-29.7	0	0	0	113.5	N155 K156	N153-N155 PolarHBondContact O-N 2.73Å; N153-N155 VanDerWaalsContact O-N 3.11Å; N153-K156 PolarHBondContact O-N 3.06Å
154	T	83.8	Confident	93.7	Very high	134 Å²	134	50 Å²	50	82%	0.822	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63	-10.8	177.1	51.5	0	0	0	0	113.8
155	N	85.1	Confident	93.7	Very high	29 Å²	29	50 Å²	50	16%	0.155	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-98.7	0.3	-173.6	-56.5	-14.8	0	0	0	112.1	C74 Q98 C150 K152 N153 G157 K158	C74-N155 PolarHBondContact O-ND2 3.11Å; Q98-N155 VanDerWaalsContact CD-CG 3.45Å; Q98-N155 VanDerWaalsContact NE2-CG 3.33Å; Q98-N155 PolarHBondContact NE2-OD1 2.8Å; Q98-N155 PolarHBondContact OE1-ND2 3.38Å; Q98-N155 VanDerWaalsContact OE1-ND2 3.08Å; Q98-N155 PolarHBondContact OE1-OD1 3.3Å; Q98-N155 VanDerWaalsContact OE1-OD1 3.06Å; C150-N155 HydrophobicContact CB-CB 3.91Å; C150-N155 VanDerWaalsContact CB-O 3.29Å; C150-N155 WeakPolarHBondContact CB-O 3.16Å; K152-N155 PolarHBondContact O-N 3.19Å; N153-N155 PolarHBondContact O-N 2.73Å; N153-N155 VanDerWaalsContact O-N 3.11Å; N155-G157 PolarHBondContact O-N 2.91Å; N155-K158 WeakPolarHBondContact O-CB 3.45Å; N155-K158 PolarHBondContact O-N 3.07Å
156	K	90.2	Very high	93.7	Very high	159 Å²	159	50 Å²	50	69%	0.691	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	124.6	-178.1	-173.1	177.4	-178.4	-178.5	0	111.4	C150 K152 N153 K158	C150-K156 CarbonylContact O-C 3.54Å; C150-K156 WeakPolarHBondContact O-CA 3.48Å; K152-K156 PolarHBondContact O-N 2.98Å; N153-K156 PolarHBondContact O-N 3.06Å; K156-K158 VanDerWaalsContact C-N 3.34Å
157	G	93	Very high	93.8	Very high	47 Å²	47	52.4 Å²	52.4	49%	0.485	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	7	179.9	0	0	0	0	0	114.8	C150 N155	C150-G157 PolarHBondContact O-N 2.04Å; N155-G157 PolarHBondContact O-N 2.91Å
158	K	95.7	Very high	93.9	Very high	77 Å²	77	53.2 Å²	53.2	34%	0.335	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-101.6	145.6	170.4	-57.7	-57.9	-173.7	-170.8	0	110.6	Q98 V99 S100 C150 N155 K156	Q98-K158 HydrophobicContact CG-CB 3.65Å; Q98-K158 HydrophobicContact CG-CG 4.16Å; V99-K158 CarbonylContact O-C 3.59Å; V99-K158 WeakPolarHBondContact O-CA 3.05Å; S100-K158 PolarHBondContact OG-NZ 2.87Å; C150-K158 WeakPolarHBondContact CB-O 3.18Å; C150-K158 PolarHBondContact N-O 2.8Å; N155-K158 WeakPolarHBondContact O-CB 3.45Å; N155-K158 PolarHBondContact O-N 3.07Å; K156-K158 VanDerWaalsContact C-N 3.34Å
159	Y	95.3	Very high	94	Very high	53 Å²	53	52 Å²	52	21%	0.208	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.5	168.3	-66.4	-79.5	0	0	0	109.5	Q98 V99 I102 V147 H148 L149	Q98-Y159 CarbonylContact C-O 3.56Å; Q98-Y159 WeakPolarHBondContact CA-O 3.32Å; V99-Y159 PolarHBondContact N-O 2.88Å; V99-Y159 PolarHBondContact O-N 3.4Å; I102-Y159 HydrophobicContact CD1-CD1 4.3Å; I102-Y159 HydrophobicContact CD1-CE1 4.36Å; I102-Y159 HydrophobicContact CG1-CD1 4.22Å; I102-Y159 HydrophobicContact CG1-CD2 4.23Å; I102-Y159 HydrophobicContact CG1-CG 3.99Å; V147-Y159 HydrophobicContact CG1-CD1 3.73Å; V147-Y159 HydrophobicContact CG1-CG 4.41Å; H148-Y159 CarbonylContact O-C 3.59Å; H148-Y159 WeakPolarHBondContact O-CA 3.14Å; L149-Y159 HydrophobicContact CB-CD1 4.16Å; L149-Y159 HydrophobicContact CB-CE1 3.98Å; L149-Y159 HydrophobicContact CD1-CD1 4.18Å; L149-Y159 HydrophobicContact CD1-CE1 4.01Å; L149-Y159 HydrophobicContact CD1-CE2 4.38Å; L149-Y159 HydrophobicContact CD1-CG 4.45Å; L149-Y159 HydrophobicContact CG-CE1 4.47Å
160	M	96.5	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.3	158.3	-174.4	53.9	63.8	0	0	108.2	A71 E75 N76 V96 Q98 V147 H148 V162	A71-M160 HydrophobicContact CB-CB 4.49Å; A71-M160 HydrophobicContact CB-CG 4.23Å; A71-M160 WeakPolarHBondContact O-CB 3.32Å; A71-M160 WeakPolarHBondContact O-CG 3.08Å; E75-M160 VanDerWaalsContact C-CE 3.5Å; N76-M160 HydrophobicContact CB-CE 3.95Å; V96-M160 HydrophobicContact CG1-SD 3.4Å; V96-M160 WeakPolarHBondContact CG1-SD 3.41Å; Q98-M160 HydrophobicContact CB-CE 3.92Å; Q98-M160 HydrophobicContact CG-CE 4.4Å; V147-M160 WeakPolarHBondContact CA-O 3.45Å; H148-M160 PolarHBondContact N-O 2.7Å; H148-M160 PolarHBondContact O-N 2.55Å; M160-V162 HydrophobicContact CG-CG2 4.14Å
161	V	97.2	Very high	93.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.7	177.9	-174.9	0	0	0	0	108.2	L29 V96 A97 V99 I102 A105 W109 V147	L29-V161 HydrophobicContact CD1-CG1 3.91Å; L29-V161 HydrophobicContact CD2-CG1 3.96Å; V96-V161 CarbonylContact C-O 3.55Å; V96-V161 WeakPolarHBondContact CA-O 3.41Å; A97-V161 PolarHBondContact N-O 3.15Å; A97-V161 PolarHBondContact O-N 3.32Å; V99-V161 HydrophobicContact CG2-CG2 3.83Å; I102-V161 HydrophobicContact CG1-CG2 4.4Å; A105-V161 HydrophobicContact CB-CB 3.82Å; A105-V161 HydrophobicContact CB-CG1 3.84Å; A105-V161 HydrophobicContact CB-CG2 3.98Å; W109-V161 HydrophobicContact CH2-CG1 3.89Å; W109-V161 HydrophobicContact CZ2-CG1 4.48Å; V147-V161 HydrophobicContact CG1-CG2 4.5Å; V147-V161 HydrophobicContact CG2-CG1 4.36Å; V147-V161 HydrophobicContact CG2-CG2 4.44Å
162	V	97.9	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.4	179	-178.3	0	0	0	0	108	A67 Y70 A71 Q94 N95 V96 C145 G146 M160	A67-V162 HydrophobicContact CB-CB 4.22Å; A67-V162 HydrophobicContact CB-CG1 3.91Å; Y70-V162 HydrophobicContact CD1-CG1 4.26Å; Y70-V162 HydrophobicContact CD1-CG2 4Å; A71-V162 HydrophobicContact CB-CB 4.35Å; A71-V162 HydrophobicContact CB-CG2 3.85Å; Q94-V162 HydrophobicContact CG-CG1 3.77Å; N95-V162 WeakPolarHBondContact O-CA 3.44Å; V96-V162 HydrophobicContact CG1-CG2 4.36Å; V96-V162 HydrophobicContact CG2-CG1 4.41Å; V96-V162 HydrophobicContact CG2-CG2 4.3Å; C145-V162 CarbonylContact C-O 3.54Å; C145-V162 WeakPolarHBondContact CA-O 3.45Å; G146-V162 PolarHBondContact N-O 3.48Å; G146-V162 PolarHBondContact O-N 3.02Å; M160-V162 HydrophobicContact CG-CG2 4.14Å
163	C	98.6	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.4	169.6	-71.9	0	0	0	0	109.2	H33 Q94 N95 W109 I143 C145 Y165	H33-C163 VanDerWaalsContact CE1-SG 3.59Å; Q94-C163 VanDerWaalsContact CA-O 3.31Å; Q94-C163 WeakPolarHBondContact CA-O 3.4Å; N95-C163 PolarHBondContact N-O 2.05Å; N95-C163 PolarHBondContact O-N 3.42Å; W109-C163 HydrophobicContact CH2-CB 4.03Å; W109-C163 HydrophobicContact CZ3-CB 4.08Å; I143-C163 HydrophobicContact CD1-CB 4.34Å; I143-C163 HydrophobicContact CG1-CB 4.47Å; C145-C163 HydrophobicContact CB-CB 4.11Å; C145-C163 WeakPolarHBondContact CB-SG 3.46Å; C145-C163 WeakPolarHBondContact SG-CB 3.28Å; C145-C163 CovalentContact SG-SG 2.04Å; C145-C163 PolarHBondContact SG-SG 3.32Å; C163-Y165 HydrophobicContact CB-CE1 4.35Å; C163-Y165 HydrophobicContact CB-CE2 3.87Å; C163-Y165 WeakPolarHBondContact CB-OH 3.25Å; C163-Y165 WeakPolarHBondContact O-CD2 3.42Å; C163-Y165 WeakPolarHBondContact O-CE2 3.41Å
164	N	98.8	Very high	95.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.2	173.6	-76.5	-13	0	0	0	109.6	L63 T66 A67 V92 G93 Q94 I143 G144	L63-N164 HydrophobicContact CB-CB 4.04Å; L63-N164 HydrophobicContact CD2-CB 4.1Å; L63-N164 PolarHBondContact O-ND2 3.07Å; T66-N164 PolarHBondContact OG1-ND2 2.69Å; A67-N164 HydrophobicContact CB-CB 4.28Å; A67-N164 PolarHBondContact N-ND2 3.23Å; V92-N164 HydrophobicContact CG1-CB 3.74Å; G93-N164 CarbonylContact O-C 3.52Å; G93-N164 WeakPolarHBondContact O-CA 3.23Å; Q94-N164 VanDerWaalsContact CG-OD1 3.29Å; Q94-N164 WeakPolarHBondContact CG-OD1 3.35Å; Q94-N164 PolarHBondContact NE2-OD1 3.1Å; I143-N164 VanDerWaalsContact CA-O 3.32Å; I143-N164 WeakPolarHBondContact CA-O 3.37Å; G144-N164 PolarHBondContact N-O 2.73Å; G144-N164 PolarHBondContact O-N 3.42Å
165	Y	98.8	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136	-171.2	-56.4	-89.3	0	0	0	110.7	H33 F57 V92 G93 N95 Q134 L135 T140 H142 I143 C163	H33-Y165 AromaticContact CD2-CE1 3.74Å; H33-Y165 AromaticContact NE2-CE1 3.85Å; H33-Y165 AromaticContact NE2-CZ 3.78Å; H33-Y165 PolarHBondContact NE2-OH 3.16Å; F57-Y165 HydrophobicContact CE2-CD1 4.38Å; F57-Y165 HydrophobicContact CE2-CE1 4.25Å; F57-Y165 HydrophobicContact CZ-CD1 4.11Å; F57-Y165 HydrophobicContact CZ-CE1 4.34Å; V92-Y165 CarbonylContact C-O 3.42Å; V92-Y165 VanDerWaalsContact CA-O 3.27Å; V92-Y165 WeakPolarHBondContact CA-O 3.43Å; G93-Y165 PolarHBondContact N-O 3.33Å; G93-Y165 PolarHBondContact O-N 3.01Å; N95-Y165 HydrophobicContact CB-CE2 3.88Å; N95-Y165 PolarHBondContact ND2-OH 2.78Å; Q134-Y165 HydrophobicContact CG-CD1 4.13Å; Q134-Y165 HydrophobicContact CG-CD2 3.27Å; Q134-Y165 HydrophobicContact CG-CE1 4.33Å; Q134-Y165 HydrophobicContact CG-CE2 3.52Å; Q134-Y165 HydrophobicContact CG-CG 3.6Å; Q134-Y165 VanDerWaalsContact NE2-CB 3.33Å; L135-Y165 HydrophobicContact CD2-CE1 4.5Å; T140-Y165 HydrophobicContact CG2-CD1 4.28Å; T140-Y165 HydrophobicContact CG2-CG 4.42Å; H142-Y165 WeakPolarHBondContact O-CA 3.43Å; I143-Y165 HydrophobicContact CB-CD1 4.45Å; I143-Y165 HydrophobicContact CD1-CD1 4.03Å; I143-Y165 HydrophobicContact CD1-CE1 3.53Å; I143-Y165 HydrophobicContact CG1-CD1 3.93Å; I143-Y165 HydrophobicContact CG1-CE1 3.9Å; C163-Y165 HydrophobicContact CB-CE1 4.35Å; C163-Y165 HydrophobicContact CB-CE2 3.87Å; C163-Y165 WeakPolarHBondContact CB-OH 3.25Å; C163-Y165 WeakPolarHBondContact O-CD2 3.42Å; C163-Y165 WeakPolarHBondContact O-CE2 3.41Å
166	A	98.8	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.1	177.3	0	0	0	0	0	113.5	L63 W89 T141 H142	L63-A166 HydrophobicContact CD1-CB 3.77Å; L63-A166 HydrophobicContact CD2-CB 4.15Å; W89-A166 HydrophobicContact CB-CB 3.86Å; W89-A166 HydrophobicContact CD2-CB 3.33Å; W89-A166 HydrophobicContact CE3-CB 3.64Å; W89-A166 HydrophobicContact CG-CB 3.43Å; W89-A166 VanDerWaalsContact CG-CB 3.43Å; W89-A166 HydrophobicContact CZ2-CB 4.41Å; W89-A166 HydrophobicContact CZ3-CB 4.29Å; T141-A166 PolarHBondContact N-O 3.18Å; T141-A166 PolarHBondContact OG1-O 2.9Å; H142-A166 HydrophobicContact CB-CB 4.48Å; H142-A166 PolarHBondContact N-O 3.34Å; H142-A166 PolarHBondContact O-N 2.73Å
167	P	98.4	Very high	96.8	Very high	49 Å²	49	39.8 Å²	39.8	32%	0.318	23%	0.226	S	C	.	.	S	Bend	cis	-59.5	156.9	-17.2	-22.3	34.6	0	0	0	112.6	S91 N139 T140	S91-P167 WeakPolarHBondContact O-CA 3.31Å; N139-P167 WeakPolarHBondContact O-CD 3.29Å; T140-P167 WeakPolarHBondContact CB-O 3.39Å; T140-P167 PolarHBondContact OG1-O 2.89Å
168	A	98.3	Very high	96.9	Very high	23 Å²	23	37.5 Å²	37.5	19%	0.19	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-55.4	144.3	170.8	0	0	0	0	0	110.9	S91 V92 G93 G170	S91-A168 PolarHBondContact O-N 2.92Å; S91-A168 VanDerWaalsContact OG-CB 3.26Å; S91-A168 WeakPolarHBondContact OG-CB 3.04Å; S91-A168 PolarHBondContact OG-N 3.24Å; V92-A168 VanDerWaalsContact C-CB 3.48Å; G93-A168 VanDerWaalsContact N-CB 3.27Å; A168-G170 PolarHBondContact O-N 2.79Å
169	A	97.6	Very high	96.7	Very high	29 Å²	29	37.3 Å²	37.3	24%	0.24	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60.5	131	170.1	0	0	0	0	0	110.1	Q134 N137	Q134-A169 HydrophobicContact CB-CB 4.37Å; N137-A169 HydrophobicContact CB-CB 3.81Å
170	G	94.2	Very high	96.5	Very high	52 Å²	52	43.2 Å²	43.2	54%	0.536	24%	0.235	S	C	.	.			trans	-73.5	177.1	175.1	0	0	0	0	0	112.8	A168	A168-G170 PolarHBondContact O-N 2.79Å
171	K	91.9	Very high	96.3	Very high	215 Å²	215	46.2 Å²	46.2	94%	0.935	25%	0.253	S	S	*	.	S	Bend	trans	-67.3	154.6	159.5	-61.3	-177.5	-178.3	-179.3	0	108.6
172	G	95.9	Very high	96.2	Very high	26 Å²	26	50 Å²	50	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	99.5	-175	-177.7	0	0	0	0	0	113.3	D121 K133	D121-G172 WeakPolarHBondContact OD2-CA 3.5Å; K133-G172 WeakPolarHBondContact CE-O 3.46Å; K133-G172 PolarHBondContact NZ-O 3.03Å
173	R	97.9	Very high	95.8	Very high	111 Å²	111	50.7 Å²	50.7	42%	0.419	27%	0.272	S	S	.	.			trans	-62.1	141.3	178.5	-64.9	179.6	179.6	74.3	6.9	110.9	L118 K119 D121 Y175	L118-R173 HydrophobicContact CD1-CB 4.13Å; L118-R173 HydrophobicContact CD1-CG 4.15Å; L118-R173 WeakPolarHBondContact O-CD 3.38Å; L118-R173 PolarHBondContact O-NE 3.31Å; K119-R173 PolarHBondContact O-NH2 3.41Å; D121-R173 HydrophobicContact CB-CG 3.73Å; D121-R173 PolarHBondContact OD2-N 2.76Å; R173-Y175 WeakPolarHBondContact CB-O 3.29Å; R173-Y175 PolarHBondContact O-N 3.5Å
174	P	97.9	Very high	95.4	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.304	C	S	.	.	S	Bend	trans	-70.6	-21.6	175.4	30.5	-34.5	0	0	0	112.4	Y116 K133 V136 N137 I138	Y116-P174 HydrophobicContact CE1-CG 4.26Å; Y116-P174 WeakPolarHBondContact OH-CD 3.05Å; K133-P174 HydrophobicContact CB-CB 4.26Å; K133-P174 HydrophobicContact CB-CG 4.43Å; K133-P174 HydrophobicContact CG-CG 4.18Å; K133-P174 WeakPolarHBondContact O-CB 3.06Å; V136-P174 HydrophobicContact CG2-CB 3.79Å; V136-P174 HydrophobicContact CG2-CG 3.73Å; N137-P174 CarbonylContact C-O 3.53Å; N137-P174 WeakPolarHBondContact CA-O 3.42Å; N137-P174 HydrophobicContact CB-CB 4.41Å; I138-P174 WeakPolarHBondContact CG2-O 3.42Å; I138-P174 PolarHBondContact N-O 3.01Å
175	Y	97.8	Very high	94.3	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.012	36%	0.356	C	S	.	.	S	Bend	trans	-161.3	165.4	175.8	52.1	-96.5	0	0	0	109.4	R40 S48 S50 L54 L118 Y132 V136 R173	R40-Y175 HydrophobicContact CB-CE1 4.5Å; R40-Y175 VanDerWaalsContact CD-OH 3.25Å; R40-Y175 WeakPolarHBondContact CD-OH 3.49Å; R40-Y175 HydrophobicContact CG-CE1 4.15Å; S48-Y175 PolarHBondContact OG-OH 3.44Å; S50-Y175 VanDerWaalsContact CB-CD2 3.46Å; L54-Y175 HydrophobicContact CD1-CD1 4.16Å; L54-Y175 HydrophobicContact CD1-CE1 4.39Å; L54-Y175 HydrophobicContact CD2-CD1 4.34Å; L54-Y175 HydrophobicContact CD2-CG 4.41Å; L118-Y175 HydrophobicContact CD1-CD2 4.22Å; L118-Y175 HydrophobicContact CD1-CE2 4.05Å; L118-Y175 WeakPolarHBondContact CD1-O 3.46Å; L118-Y175 HydrophobicContact CD2-CD2 3.94Å; L118-Y175 HydrophobicContact CD2-CE2 3.39Å; L118-Y175 HydrophobicContact CG-CE2 4.37Å; Y132-Y175 PolarHBondContact OH-OH 3.45Å; V136-Y175 HydrophobicContact CB-CD1 4.13Å; V136-Y175 HydrophobicContact CB-CE1 3.76Å; V136-Y175 HydrophobicContact CG2-CD1 4.01Å; V136-Y175 HydrophobicContact CG2-CE1 3.52Å; V136-Y175 VanDerWaalsContact O-CD1 3.3Å; V136-Y175 WeakPolarHBondContact O-CD1 3.28Å; R173-Y175 WeakPolarHBondContact CB-O 3.29Å; R173-Y175 PolarHBondContact O-N 3.5Å
176	D	97	Very high	94.1	Very high	93 Å²	93	72.6 Å²	72.6	50%	0.497	37%	0.374	S	S	.	.			trans	-83	149	176.5	-62.9	-43.3	0	0	0	112.2	S50 E51 G178	S50-D176 CarbonylContact C-O 3.51Å; S50-D176 WeakPolarHBondContact CA-O 3.47Å; E51-D176 HydrophobicContact CB-CB 4.11Å; E51-D176 PolarHBondContact N-O 3.3Å; D176-G178 PolarHBondContact O-N 2.69Å
177	D	94.9	Very high	93.9	Very high	55 Å²	55	76.4 Å²	76.4	29%	0.294	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-71.4	119.3	-175.6	-172.3	-17.3	0	0	0	111.8	L118 T179	L118-D177 HydrophobicContact CD2-CB 3.89Å; L118-D177 HydrophobicContact CG-CB 4.49Å; D177-T179 PolarHBondContact O-N 2.89Å; D177-T179 VanDerWaalsContact OD1-CB 3.29Å; D177-T179 WeakPolarHBondContact OD1-CB 3.2Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.29Å; D177-T179 PolarHBondContact OD1-N 3.5Å; D177-T179 PolarHBondContact OD1-OG1 3.08Å; D177-T179 PolarHBondContact OD2-OG1 3.18Å
178	G	94.4	Very high	93.6	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-79.6	-9.2	-178.5	0	0	0	0	0	115.6	T49 E51 D176 K180 T181 R182 C183	T49-G178 PolarHBondContact O-N 3.05Å; E51-G178 VanDerWaalsContact CA-CA 3.48Å; D176-G178 PolarHBondContact O-N 2.69Å; G178-K180 PolarHBondContact O-N 3.01Å; G178-T181 WeakPolarHBondContact CA-OG1 3.34Å; G178-T181 CarbonylContact O-C 3.59Å; G178-T181 PolarHBondContact O-N 3.35Å; G178-T181 VanDerWaalsContact O-N 3.08Å; G178-T181 PolarHBondContact O-OG1 3.13Å; G178-R182 PolarHBondContact O-N 2.87Å; G178-C183 WeakPolarHBondContact O-CA 3.43Å; G178-C183 WeakPolarHBondContact O-CB 3.45Å; G178-C183 PolarHBondContact O-N 3.38Å
179	T	92	Very high	93.3	Very high	72 Å²	72	81.1 Å²	81.1	44%	0.442	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-62.6	-25	-173.5	53.8	0	0	0	0	114.1	D177 K184	D177-T179 PolarHBondContact O-N 2.89Å; D177-T179 VanDerWaalsContact OD1-CB 3.29Å; D177-T179 WeakPolarHBondContact OD1-CB 3.2Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.29Å; D177-T179 PolarHBondContact OD1-N 3.5Å; D177-T179 PolarHBondContact OD1-OG1 3.08Å; D177-T179 PolarHBondContact OD2-OG1 3.18Å; T179-K184 WeakPolarHBondContact O-CA 3.44Å
180	K	91	Very high	93.1	Very high	177 Å²	177	84.4 Å²	84.4	77%	0.77	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-101.6	-1.4	177.9	-64	-175.2	180	-179.2	0	113.9	G178	G178-K180 PolarHBondContact O-N 3.01Å
181	T	93.7	Very high	93	Very high	63 Å²	63	86.5 Å²	86.5	39%	0.387	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-103.7	-172.3	54	0	0	0	0	109.8	E51 G178 C183 K184	E51-T181 WeakPolarHBondContact CB-OG1 3.15Å; E51-T181 HydrophobicContact CG-CG2 4.28Å; E51-T181 VanDerWaalsContact CG-OG1 3.29Å; E51-T181 WeakPolarHBondContact CG-OG1 3.48Å; G178-T181 WeakPolarHBondContact CA-OG1 3.34Å; G178-T181 CarbonylContact O-C 3.59Å; G178-T181 PolarHBondContact O-N 3.35Å; G178-T181 VanDerWaalsContact O-N 3.08Å; G178-T181 PolarHBondContact O-OG1 3.13Å; T181-C183 PolarHBondContact O-N 3.09Å; T181-K184 VanDerWaalsContact O-CB 3.3Å; T181-K184 WeakPolarHBondContact O-CB 3.23Å; T181-K184 PolarHBondContact O-N 2.98Å; T181-K184 VanDerWaalsContact O-N 3.13Å
182	R	93.4	Very high	93.1	Very high	79 Å²	79	77.4 Å²	77.4	30%	0.298	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.2	-175	-176.7	-178.4	63.8	81.2	-3.9	113.6	R40 N41 C43 S50 E51 G178	R40-R182 PolarHBondContact O-NH2 2.68Å; N41-R182 PolarHBondContact O-NH1 3.22Å; N41-R182 PolarHBondContact O-NH2 3.05Å; N41-R182 VanDerWaalsContact O-NH2 3.15Å; C43-R182 PolarHBondContact SG-NH1 3.3Å; C43-R182 VanDerWaalsContact SG-NH1 3.42Å; S50-R182 PolarHBondContact O-NE 2.85Å; S50-R182 PolarHBondContact O-NH2 3.04Å; E51-R182 WeakPolarHBondContact O-CB 3.47Å; E51-R182 WeakPolarHBondContact O-CD 2.97Å; E51-R182 PolarHBondContact O-NE 2.95Å; E51-R182 VanDerWaalsContact O-NE 3.12Å; G178-R182 PolarHBondContact O-N 2.87Å
183	C	91.5	Very high	92.8	Very high	15 Å²	15	81.3 Å²	81.3	10%	0.101	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	23.8	-179.1	-63.1	0	0	0	0	112.2	C43 G178 T181 Q185	C43-C183 WeakPolarHBondContact CA-SG 3.28Å; C43-C183 HydrophobicContact CB-CB 3.59Å; C43-C183 WeakPolarHBondContact CB-SG 3.3Å; C43-C183 WeakPolarHBondContact SG-CA 3.35Å; C43-C183 WeakPolarHBondContact SG-CB 3.46Å; C43-C183 CovalentContact SG-SG 2.05Å; C43-C183 PolarHBondContact SG-SG 2.98Å; G178-C183 WeakPolarHBondContact O-CA 3.43Å; G178-C183 WeakPolarHBondContact O-CB 3.45Å; G178-C183 PolarHBondContact O-N 3.38Å; T181-C183 PolarHBondContact O-N 3.09Å; C183-Q185 PolarHBondContact O-N 3.07Å
184	K	88.9	Confident	92.4	Very high	154 Å²	154	78.8 Å²	78.8	67%	0.67	38%	0.381	S	S	*	.			trans	-65.1	121	171.6	-171.9	179.8	179.1	-175.3	0	109.1	T179 T181	T179-K184 WeakPolarHBondContact O-CA 3.44Å; T181-K184 VanDerWaalsContact O-CB 3.3Å; T181-K184 WeakPolarHBondContact O-CB 3.23Å; T181-K184 PolarHBondContact O-N 2.98Å; T181-K184 VanDerWaalsContact O-N 3.13Å
185	Q	76.6	Confident	91.9	Very high	234 Å²	234	85.9 Å²	85.9	100%	1.093	42%	0.415	S	S	*	.			trans	-84.2	0	171.7	-65.1	-175.9	-10.5	0	0	110.7	C183	C183-Q185 PolarHBondContact O-N 3.07Å

Retrieved 185 of 185 residues in 56.3 ms (Link to these results)

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