A0A077YZJ1_TRITR Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A077YZJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 495 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	58.2	Low	58.3	Low	182 Å²	182	108.8 Å²	108.8	90%	0.897	59%	0.593	S	S	*	*				0	-45.6	0	-81.8	-178.1	65.1	0	0	113.9	A3 T4 I5	M1-A3 PolarHBondContact O-N 2.69Å; M1-T4 PolarHBondContact O-N 3.14Å; M1-T4 PolarHBondContact O-OG1 3.09Å; M1-I5 WeakPolarHBondContact O-CD1 3.33Å; M1-I5 VanDerWaalsContact O-CG1 3.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.38Å; M1-I5 PolarHBondContact O-N 2.75Å; M1-I5 VanDerWaalsContact O-N 3.11Å
2	H	63.8	Low	56.7	Low	152 Å²	152	110.9 Å²	110.9	70%	0.704	60%	0.602	S	S	*	*	H	α-helix	trans	-66.1	-38.6	-177.3	-61.9	-22.2	0	0	0	114.1	T4 I5 I6	H2-T4 PolarHBondContact O-N 2.62Å; H2-I5 PolarHBondContact O-N 2Å; H2-I6 VanDerWaalsContact O-CG1 3.3Å; H2-I6 WeakPolarHBondContact O-CG1 3.03Å; H2-I6 PolarHBondContact O-N 2.7Å
3	A	64.7	Low	55	Low	80 Å²	80	107.2 Å²	107.2	66%	0.661	60%	0.596	S	S	*	*	H	α-helix	trans	-63.6	-38.6	176.6	0	0	0	0	0	113.2	M1 L7	M1-A3 PolarHBondContact O-N 2.69Å; A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 2.78Å
4	T	66.5	Low	53.3	Low	88 Å²	88	112 Å²	112	54%	0.54	61%	0.608	S	S	.	*	H	α-helix	trans	-72.7	-33.5	177.7	45.6	0	0	0	0	112.4	M1 H2 C8	M1-T4 PolarHBondContact O-N 3.14Å; M1-T4 PolarHBondContact O-OG1 3.09Å; H2-T4 PolarHBondContact O-N 2.62Å; T4-C8 VanDerWaalsContact O-CB 3.29Å; T4-C8 WeakPolarHBondContact O-CB 2.96Å; T4-C8 PolarHBondContact O-N 2.88Å; T4-C8 PolarHBondContact O-SG 2.76Å
5	I	70.2	Confident	52	Low	78 Å²	78	112.7 Å²	112.7	40%	0.4	62%	0.62	S	S	.	*	H	α-helix	trans	-67.9	-42.9	173.7	-66.8	165.4	0	0	0	110.5	M1 H2 C8 L9	M1-I5 WeakPolarHBondContact O-CD1 3.33Å; M1-I5 VanDerWaalsContact O-CG1 3.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.38Å; M1-I5 PolarHBondContact O-N 2.75Å; M1-I5 VanDerWaalsContact O-N 3.11Å; H2-I5 PolarHBondContact O-N 2Å; I5-C8 PolarHBondContact O-N 3.29Å; I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.38Å; I5-L9 WeakPolarHBondContact O-CB 3.24Å; I5-L9 VanDerWaalsContact O-CG 3.26Å; I5-L9 WeakPolarHBondContact O-CG 2.97Å; I5-L9 PolarHBondContact O-N 2.76Å
6	I	65.7	Low	50.8	Low	99 Å²	99	107.9 Å²	107.9	51%	0.508	60%	0.597	S	S	.	*	H	α-helix	trans	-65.2	-43.7	176.6	-65.6	166.3	0	0	0	110.5	H2 L9 L10	H2-I6 VanDerWaalsContact O-CG1 3.3Å; H2-I6 WeakPolarHBondContact O-CG1 3.03Å; H2-I6 PolarHBondContact O-N 2.7Å; I6-L9 PolarHBondContact O-N 3.31Å; I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 HydrophobicContact CG2-CG 4.39Å; I6-L10 WeakPolarHBondContact O-CB 3.2Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 2.97Å
7	L	61.2	Low	50	Low	106 Å²	106	105.2 Å²	105.2	56%	0.555	59%	0.585	S	S	*	*	H	α-helix	trans	-64.4	-40.1	176.2	-166.1	71.3	0	0	0	111.6	A3 L10 L11	A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 2.78Å; L7-L10 PolarHBondContact O-N 2.7Å; L7-L11 HydrophobicContact CG-CD1 4.01Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 2.92Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å
8	C	55.7	Low	49.8	Very low	70 Å²	70	101.2 Å²	101.2	47%	0.473	57%	0.568	S	S	.	*	H	α-helix	trans	-63.6	-41.5	172	-78.1	0	0	0	0	112.1	T4 I5 L11 L12	T4-C8 VanDerWaalsContact O-CB 3.29Å; T4-C8 WeakPolarHBondContact O-CB 2.96Å; T4-C8 PolarHBondContact O-N 2.88Å; T4-C8 PolarHBondContact O-SG 2.76Å; I5-C8 PolarHBondContact O-N 3.29Å; C8-L11 PolarHBondContact O-N 3.38Å; C8-L12 WeakPolarHBondContact O-CB 3.04Å; C8-L12 WeakPolarHBondContact O-CD1 3.39Å; C8-L12 WeakPolarHBondContact O-CG 3.23Å; C8-L12 PolarHBondContact O-N 2.91Å
9	L	50.3	Low	50.4	Low	87 Å²	87	96.4 Å²	96.4	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-66.6	-36.8	177.2	-75.2	167.4	0	0	0	112	I5 I6 A13	I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.38Å; I5-L9 WeakPolarHBondContact O-CB 3.24Å; I5-L9 VanDerWaalsContact O-CG 3.26Å; I5-L9 WeakPolarHBondContact O-CG 2.97Å; I5-L9 PolarHBondContact O-N 2.76Å; I6-L9 PolarHBondContact O-N 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 3.13Å
10	L	44.5	Very low	51.2	Low	121 Å²	121	91.7 Å²	91.7	63%	0.634	51%	0.514	S	S	*	.	H	α-helix	trans	-71.3	-37.3	174	-72.1	170.3	0	0	0	112.3	I6 L7 A13	I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 HydrophobicContact CG2-CG 4.39Å; I6-L10 WeakPolarHBondContact O-CB 3.2Å; I6-L10 WeakPolarHBondContact O-CG 3.34Å; I6-L10 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 2.7Å; L10-A13 PolarHBondContact O-N 3.34Å
11	L	40.7	Very low	52.1	Low	134 Å²	134	87.9 Å²	87.9	70%	0.702	49%	0.492	S	S	*	.	H	α-helix	trans	-73.4	-27.6	174.5	-70.4	169.2	0	0	0	112.5	L7 C8	L7-L11 HydrophobicContact CG-CD1 4.01Å; L7-L11 HydrophobicContact CG-CG 4.49Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 2.92Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å; C8-L11 PolarHBondContact O-N 3.38Å
12	L	38.7	Very low	52.4	Low	134 Å²	134	82.5 Å²	82.5	70%	0.702	47%	0.466	S	S	*	.	H	α-helix	trans	-85.1	-14.7	174.1	-70.7	170.2	0	0	0	113.1	C8 K14	C8-L12 WeakPolarHBondContact O-CB 3.04Å; C8-L12 WeakPolarHBondContact O-CD1 3.39Å; C8-L12 WeakPolarHBondContact O-CG 3.23Å; C8-L12 PolarHBondContact O-N 2.91Å; L12-K14 PolarHBondContact O-N 2.97Å
13	A	34.8	Very low	52.7	Low	63 Å²	63	75.2 Å²	75.2	52%	0.521	43%	0.433	S	S	.	.			trans	-69.9	75.5	165.9	0	0	0	0	0	108.6	L9 L10 P15	L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 3.13Å; L10-A13 PolarHBondContact O-N 3.34Å; A13-P15 VanDerWaalsContact O-N 3.13Å
14	K	30.7	Very low	52.8	Low	174 Å²	174	71.6 Å²	71.6	76%	0.757	40%	0.403	S	S	*	.			trans	-49.6	124.2	164.4	-70.8	-176.3	178	177.5	0	106.2	L12 C16	L12-K14 PolarHBondContact O-N 2.97Å; K14-C16 PolarHBondContact O-N 2.89Å
15	P	33.8	Very low	52.8	Low	122 Å²	122	67.5 Å²	67.5	79%	0.792	38%	0.377	S	S	*	.			trans	-55.7	112.5	170.5	23.2	-31.3	0	0	0	105.1	A13	A13-P15 VanDerWaalsContact O-N 3.13Å
16	C	34	Very low	52.5	Low	37 Å²	37	67.2 Å²	67.2	25%	0.25	38%	0.381	C	S	.	.			trans	-70.7	133.3	169.8	-102.4	0	0	0	0	107.1	K14 A18 Q142	K14-C16 PolarHBondContact O-N 2.89Å; C16-A18 PolarHBondContact O-N 3.16Å; C16-Q142 HydrophobicContact CB-CB 3.3Å; C16-Q142 HydrophobicContact CB-CG 3.37Å; C16-Q142 WeakPolarHBondContact SG-CG 3.43Å; C16-Q142 PolarHBondContact SG-NE2 2.97Å; C16-Q142 PolarHBondContact SG-OE1 3.42Å
17	P	37	Very low	52.2	Low	61 Å²	61	64.3 Å²	64.3	40%	0.396	37%	0.367	S	S	.	.			trans	-58.4	110.4	167.7	26.4	-31.4	0	0	0	106.6	N19 V50	P17-N19 PolarHBondContact O-N 2.7Å; P17-V50 HydrophobicContact CB-CG1 4.39Å
18	A	46.4	Very low	52.4	Low	33 Å²	33	59.9 Å²	59.9	27%	0.273	35%	0.346	S	S	.	.			trans	-70.2	127.3	165.8	0	0	0	0	0	106.8	C16 Y48	C16-A18 PolarHBondContact O-N 3.16Å; A18-Y48 HydrophobicContact CB-CG 4.5Å; A18-Y48 CarbonylContact O-C 3.36Å; A18-Y48 WeakPolarHBondContact O-CA 3.28Å; A18-Y48 VanDerWaalsContact O-CB 3.23Å; A18-Y48 WeakPolarHBondContact O-CB 3.02Å; A18-Y48 WeakPolarHBondContact O-CD2 3.45Å
19	N	60.1	Low	52.8	Low	11 Å²	11	59.4 Å²	59.4	6%	0.059	34%	0.335	C	S	.	.			trans	-69.9	148.4	-168.3	-68.7	-35.4	0	0	0	112.7	P17 W21 L22 F143 Q144 D145 N251	P17-N19 PolarHBondContact O-N 2.7Å; N19-W21 HydrophobicContact CB-CB 4.4Å; N19-W21 HydrophobicContact CB-CG 4.15Å; N19-W21 PolarHBondContact O-N 2.77Å; N19-L22 PolarHBondContact O-N 2.8Å; N19-L22 VanDerWaalsContact O-N 3.1Å; N19-F143 PolarHBondContact ND2-O 3.46Å; N19-Q144 PolarHBondContact ND2-O 3Å; N19-D145 WeakPolarHBondContact ND2-CA 3.37Å; N19-D145 PolarHBondContact ND2-N 2.99Å; N19-N251 PolarHBondContact OD1-ND2 2.73Å
20	W	67.6	Low	53.5	Low	1 Å²	1	58.9 Å²	58.9	0%	0.004	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-49.1	-19	175.3	71.1	-91.7	0	0	0	114.7	L22 L23 L49 V67 A71 V192 F247 V248	W20-L22 PolarHBondContact O-N 3.23Å; W20-L22 VanDerWaalsContact O-N 3.15Å; W20-L23 HydrophobicContact CB-CD1 4.43Å; W20-L23 WeakPolarHBondContact O-CB 3.33Å; W20-L23 WeakPolarHBondContact O-CD1 3.44Å; W20-L23 WeakPolarHBondContact O-CG 3.19Å; W20-L23 PolarHBondContact O-N 3.47Å; W20-L49 HydrophobicContact CB-CD2 3.42Å; W20-L49 VanDerWaalsContact CB-CD2 3.42Å; W20-V67 HydrophobicContact CE3-CG1 4.15Å; W20-V67 HydrophobicContact CZ3-CG1 4.06Å; W20-A71 HydrophobicContact CZ3-CB 3.93Å; W20-V192 HydrophobicContact CH2-CG2 3.56Å; W20-V192 HydrophobicContact CZ3-CG2 3.75Å; W20-F247 HydrophobicContact CB-CE1 3.74Å; W20-F247 HydrophobicContact CB-CZ 4.03Å; W20-F247 HydrophobicContact CD2-CD1 4.22Å; W20-F247 AromaticContact CD2-CE1 3.61Å; W20-F247 HydrophobicContact CD2-CE1 3.61Å; W20-F247 HydrophobicContact CE3-CD1 4.33Å; W20-F247 AromaticContact CE3-CE1 3.63Å; W20-F247 HydrophobicContact CE3-CE1 3.63Å; W20-F247 HydrophobicContact CG-CD1 4.49Å; W20-F247 AromaticContact CG-CE1 3.71Å; W20-F247 HydrophobicContact CG-CE1 3.71Å; W20-F247 HydrophobicContact CG-CZ 4.47Å; W20-F247 HydrophobicContact CZ3-CE1 4.33Å; W20-V248 HydrophobicContact CH2-CG2 3.77Å; W20-V248 HydrophobicContact CZ2-CB 3.91Å; W20-V248 HydrophobicContact CZ2-CG1 3.65Å; W20-V248 HydrophobicContact CZ2-CG2 3.52Å
21	W	68.9	Low	54.6	Low	13 Å²	13	57.5 Å²	57.5	5%	0.049	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-54.9	-24	173.9	-57	120.8	0	0	0	115.3	N19 L23 A24 V146 L149 S188 V248	N19-W21 HydrophobicContact CB-CB 4.4Å; N19-W21 HydrophobicContact CB-CG 4.15Å; N19-W21 PolarHBondContact O-N 2.77Å; W21-L23 PolarHBondContact O-N 2.83Å; W21-L23 VanDerWaalsContact O-N 3.12Å; W21-A24 VanDerWaalsContact O-CB 3.23Å; W21-A24 WeakPolarHBondContact O-CB 3.49Å; W21-A24 PolarHBondContact O-N 3.36Å; W21-V146 VanDerWaalsContact CD1-CA 3.44Å; W21-V146 HydrophobicContact CD2-CB 3.8Å; W21-V146 HydrophobicContact CD2-CG2 3.29Å; W21-V146 HydrophobicContact CE3-CB 4.45Å; W21-V146 HydrophobicContact CE3-CG2 3.5Å; W21-V146 VanDerWaalsContact CE3-CG2 3.5Å; W21-V146 HydrophobicContact CG-CB 4.07Å; W21-V146 HydrophobicContact CG-CG2 3.82Å; W21-V146 HydrophobicContact CH2-CB 4.22Å; W21-V146 HydrophobicContact CH2-CG2 3.62Å; W21-V146 HydrophobicContact CZ2-CB 3.51Å; W21-V146 HydrophobicContact CZ2-CG1 4.3Å; W21-V146 HydrophobicContact CZ2-CG2 3.41Å; W21-V146 VanDerWaalsContact CZ2-CG2 3.41Å; W21-V146 HydrophobicContact CZ3-CG2 3.65Å; W21-V146 VanDerWaalsContact NE1-CB 3.3Å; W21-L149 HydrophobicContact CB-CD2 4.07Å; W21-S188 WeakPolarHBondContact CH2-OG 2.96Å; W21-V248 HydrophobicContact CH2-CG1 4.47Å; W21-V248 HydrophobicContact CZ2-CG1 4.45Å
22	L	65.7	Low	55.9	Low	68 Å²	68	51.4 Å²	51.4	36%	0.356	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28.5	170.8	-172.4	65.1	0	0	0	111.6	N19 W20 A24 T25 A28 F93	N19-L22 PolarHBondContact O-N 2.8Å; N19-L22 VanDerWaalsContact O-N 3.1Å; W20-L22 PolarHBondContact O-N 3.23Å; W20-L22 VanDerWaalsContact O-N 3.15Å; L22-A24 PolarHBondContact O-N 3.31Å; L22-A24 VanDerWaalsContact O-N 3.16Å; L22-T25 HydrophobicContact CD1-CG2 4.04Å; L22-T25 WeakPolarHBondContact O-CB 3.35Å; L22-T25 WeakPolarHBondContact O-CG2 3.44Å; L22-T25 PolarHBondContact O-N 2.65Å; L22-T25 PolarHBondContact O-OG1 2.78Å; L22-A28 HydrophobicContact CG-CB 4.49Å; L22-A28 WeakPolarHBondContact O-CB 3.42Å; L22-F93 HydrophobicContact CD1-CZ 4.34Å
23	L	68.4	Low	57.2	Low	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.4	-22.8	172.4	-62.9	172.1	0	0	0	113.1	W20 W21 T25 T32 L49 L64 V67 S68 F247	W20-L23 HydrophobicContact CB-CD1 4.43Å; W20-L23 WeakPolarHBondContact O-CB 3.33Å; W20-L23 WeakPolarHBondContact O-CD1 3.44Å; W20-L23 WeakPolarHBondContact O-CG 3.19Å; W20-L23 PolarHBondContact O-N 3.47Å; W21-L23 PolarHBondContact O-N 2.83Å; W21-L23 VanDerWaalsContact O-N 3.12Å; L23-T25 PolarHBondContact O-N 3.07Å; L23-T32 HydrophobicContact CD2-CG2 3.8Å; L23-L49 HydrophobicContact CD1-CD2 4.49Å; L23-L64 HydrophobicContact CD1-CD2 3.99Å; L23-L64 HydrophobicContact CD2-CD2 4.43Å; L23-V67 HydrophobicContact CD1-CG1 4.08Å; L23-S68 VanDerWaalsContact O-CB 3.31Å; L23-S68 WeakPolarHBondContact O-CB 3.36Å; L23-S68 PolarHBondContact O-OG 2.94Å; L23-F247 HydrophobicContact CD1-CE1 4.5Å; L23-F247 HydrophobicContact CD1-CZ 4.04Å
24	A	67.8	Low	58.8	Low	4 Å²	4	50.2 Å²	50.2	3%	0.033	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-70.2	-13.7	175.2	0	0	0	0	0	113.1	W21 L22 A71 Q72 L149	W21-A24 VanDerWaalsContact O-CB 3.23Å; W21-A24 WeakPolarHBondContact O-CB 3.49Å; W21-A24 PolarHBondContact O-N 3.36Å; L22-A24 PolarHBondContact O-N 3.31Å; L22-A24 VanDerWaalsContact O-N 3.16Å; A24-A71 HydrophobicContact CB-CB 3.68Å; A24-Q72 WeakPolarHBondContact O-CG 3.13Å; A24-L149 HydrophobicContact CB-CD2 4.18Å
25	T	67.5	Low	60.6	Low	1 Å²	1	43 Å²	43	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-72.3	148	178	61.9	0	0	0	0	111.3	L22 L23 T27 A28 Y29 Q72 F93	L22-T25 HydrophobicContact CD1-CG2 4.04Å; L22-T25 WeakPolarHBondContact O-CB 3.35Å; L22-T25 WeakPolarHBondContact O-CG2 3.44Å; L22-T25 PolarHBondContact O-N 2.65Å; L22-T25 PolarHBondContact O-OG1 2.78Å; L23-T25 PolarHBondContact O-N 3.07Å; T25-T27 PolarHBondContact O-N 2.66Å; T25-T27 PolarHBondContact OG1-OG1 2.95Å; T25-A28 PolarHBondContact O-N 3.39Å; T25-A28 WeakPolarHBondContact OG1-CB 2.88Å; T25-A28 PolarHBondContact OG1-N 2.72Å; T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 2.99Å; T25-Q72 PolarHBondContact O-NE2 3Å; T25-F93 HydrophobicContact CG2-CD1 3.91Å; T25-F93 HydrophobicContact CG2-CD2 3.74Å; T25-F93 HydrophobicContact CG2-CE1 3.45Å; T25-F93 VanDerWaalsContact CG2-CE1 3.45Å; T25-F93 HydrophobicContact CG2-CE2 3.29Å; T25-F93 HydrophobicContact CG2-CG 4.05Å; T25-F93 HydrophobicContact CG2-CZ 3.12Å
26	P	63	Low	62.4	Low	72 Å²	72	40.1 Å²	40.1	47%	0.468	22%	0.222	S	C	.	.	H	α-helix	trans	-55.7	-38.7	171	-26.6	35.5	0	0	0	112.7	Y29 Q30	P26-Y29 PolarHBondContact O-N 2.03Å; P26-Q30 WeakPolarHBondContact O-CG 3.2Å; P26-Q30 PolarHBondContact O-N 2.79Å
27	T	59.9	Low	64.5	Low	38 Å²	38	47.3 Å²	47.3	23%	0.233	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-46.9	-179.2	50.2	0	0	0	0	112.3	T25 Y29 Q30 F31 V102 I105	T25-T27 PolarHBondContact O-N 2.66Å; T25-T27 PolarHBondContact OG1-OG1 2.95Å; T27-Y29 VanDerWaalsContact C-N 3.3Å; T27-Y29 PolarHBondContact O-N 3.49Å; T27-Q30 PolarHBondContact O-N 2.99Å; T27-F31 PolarHBondContact O-N 3.06Å; T27-V102 HydrophobicContact CG2-CG2 3.98Å; T27-I105 HydrophobicContact CG2-CD1 3.6Å
28	A	63.9	Low	66.6	Low	13 Å²	13	47.5 Å²	47.5	11%	0.107	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-39.1	175.5	0	0	0	0	0	111.2	L22 T25 F31 T32	L22-A28 HydrophobicContact CG-CB 4.49Å; L22-A28 WeakPolarHBondContact O-CB 3.42Å; T25-A28 PolarHBondContact O-N 3.39Å; T25-A28 WeakPolarHBondContact OG1-CB 2.88Å; T25-A28 PolarHBondContact OG1-N 2.72Å; A28-F31 WeakPolarHBondContact O-CB 3.47Å; A28-F31 PolarHBondContact O-N 3.48Å; A28-T32 VanDerWaalsContact O-CG2 3.28Å; A28-T32 WeakPolarHBondContact O-CG2 3.08Å; A28-T32 PolarHBondContact O-N 2.84Å
29	Y	65.5	Low	68.5	Low	60 Å²	60	47.9 Å²	47.9	24%	0.235	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-50	174	179.4	-118.1	0	0	0	112	T25 P26 T27 F31 T32 L33 A65 S68 K69	T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 2.99Å; P26-Y29 PolarHBondContact O-N 2.03Å; T27-Y29 VanDerWaalsContact C-N 3.3Å; T27-Y29 PolarHBondContact O-N 3.49Å; Y29-F31 VanDerWaalsContact C-N 3.26Å; Y29-F31 PolarHBondContact O-N 2.74Å; Y29-T32 PolarHBondContact O-N 3.17Å; Y29-T32 PolarHBondContact O-OG1 2.96Å; Y29-L33 HydrophobicContact CD1-CD1 4.16Å; Y29-L33 HydrophobicContact CE1-CD1 3.69Å; Y29-L33 HydrophobicContact CE1-CG 4.31Å; Y29-L33 HydrophobicContact CE2-CD2 4.09Å; Y29-L33 HydrophobicContact CE2-CG 4.35Å; Y29-L33 WeakPolarHBondContact O-CG 3.37Å; Y29-L33 PolarHBondContact O-N 2.94Å; Y29-L33 VanDerWaalsContact O-N 3.11Å; Y29-A65 HydrophobicContact CE2-CB 4.37Å; Y29-A65 WeakPolarHBondContact CE2-O 3.48Å; Y29-S68 WeakPolarHBondContact CA-OG 3.16Å; Y29-S68 WeakPolarHBondContact CB-OG 3.34Å; Y29-S68 WeakPolarHBondContact CD2-OG 3.27Å; Y29-K69 HydrophobicContact CE2-CB 4.15Å
30	Q	65.5	Low	70	Confident	76 Å²	76	51.8 Å²	51.8	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-42.8	176.7	-76.4	175.3	-19.9	0	0	111.8	P26 T27 T32 L33	P26-Q30 WeakPolarHBondContact O-CG 3.2Å; P26-Q30 PolarHBondContact O-N 2.79Å; T27-Q30 PolarHBondContact O-N 2.99Å; Q30-T32 VanDerWaalsContact C-N 3.33Å; Q30-T32 PolarHBondContact O-N 3.29Å; Q30-L33 WeakPolarHBondContact O-CB 3.13Å; Q30-L33 PolarHBondContact O-N 3.1Å
31	F	67.4	Low	71	Confident	93 Å²	93	55.4 Å²	55.4	41%	0.408	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-40.3	174.7	-178.7	-102	0	0	0	112.3	T27 A28 Y29 L33 Q34 F35	T27-F31 PolarHBondContact O-N 3.06Å; A28-F31 WeakPolarHBondContact O-CB 3.47Å; A28-F31 PolarHBondContact O-N 3.48Å; Y29-F31 VanDerWaalsContact C-N 3.26Å; Y29-F31 PolarHBondContact O-N 2.74Å; F31-L33 VanDerWaalsContact C-N 3.26Å; F31-L33 PolarHBondContact O-N 3.29Å; F31-Q34 PolarHBondContact O-N 3.14Å; F31-Q34 VanDerWaalsContact O-N 3.16Å; F31-F35 AromaticContact CD1-CE2 3.88Å; F31-F35 HydrophobicContact CD1-CE2 3.88Å; F31-F35 AromaticContact CE1-CE2 3.67Å; F31-F35 HydrophobicContact CE1-CE2 3.67Å; F31-F35 HydrophobicContact CE1-CZ 4.15Å; F31-F35 HydrophobicContact CZ-CE2 4.4Å; F31-F35 WeakPolarHBondContact O-CD2 3.1Å
32	T	66.6	Low	71.7	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-25.1	177.2	63.8	0	0	0	0	113.8	L23 A28 Y29 Q30 Q34 F35 L64 A65	L23-T32 HydrophobicContact CD2-CG2 3.8Å; A28-T32 VanDerWaalsContact O-CG2 3.28Å; A28-T32 WeakPolarHBondContact O-CG2 3.08Å; A28-T32 PolarHBondContact O-N 2.84Å; Y29-T32 PolarHBondContact O-N 3.17Å; Y29-T32 PolarHBondContact O-OG1 2.96Å; Q30-T32 VanDerWaalsContact C-N 3.33Å; Q30-T32 PolarHBondContact O-N 3.29Å; T32-Q34 PolarHBondContact O-N 3.26Å; T32-F35 WeakPolarHBondContact O-CD2 3.45Å; T32-L64 HydrophobicContact CG2-CB 3.53Å; T32-L64 HydrophobicContact CG2-CD1 4.02Å; T32-L64 HydrophobicContact CG2-CG 4.44Å; T32-A65 WeakPolarHBondContact OG1-CA 3.1Å
33	L	67.8	Low	72.6	Confident	100 Å²	100	53.9 Å²	53.9	52%	0.524	27%	0.271	S	S	.	.	H	α-helix	trans	-74.2	-15.5	175.7	-63.7	176.9	0	0	0	113	Y29 Q30 F31 F35 A65	Y29-L33 HydrophobicContact CD1-CD1 4.16Å; Y29-L33 HydrophobicContact CE1-CD1 3.69Å; Y29-L33 HydrophobicContact CE1-CG 4.31Å; Y29-L33 HydrophobicContact CE2-CD2 4.09Å; Y29-L33 HydrophobicContact CE2-CG 4.35Å; Y29-L33 WeakPolarHBondContact O-CG 3.37Å; Y29-L33 PolarHBondContact O-N 2.94Å; Y29-L33 VanDerWaalsContact O-N 3.11Å; Q30-L33 WeakPolarHBondContact O-CB 3.13Å; Q30-L33 PolarHBondContact O-N 3.1Å; F31-L33 VanDerWaalsContact C-N 3.26Å; F31-L33 PolarHBondContact O-N 3.29Å; L33-F35 VanDerWaalsContact C-N 3.3Å; L33-A65 HydrophobicContact CD2-CB 3.99Å
34	Q	68	Low	73.6	Confident	72 Å²	72	60 Å²	60	34%	0.336	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.4	179.4	-62.2	176.2	-13.5	0	0	112.9	F31 T32 S36 Y110	F31-Q34 PolarHBondContact O-N 3.14Å; F31-Q34 VanDerWaalsContact O-N 3.16Å; T32-Q34 PolarHBondContact O-N 3.26Å; Q34-S36 PolarHBondContact O-N 3.24Å; Q34-Y110 VanDerWaalsContact NE2-CE2 3.3Å
35	F	67.2	Low	74.3	Confident	24 Å²	24	66.2 Å²	66.2	11%	0.105	32%	0.322	C	S	.	.			trans	-70	122.6	178.7	-83.8	-135	0	0	0	109	F31 T32 L33 K42 M46 L64	F31-F35 AromaticContact CD1-CE2 3.88Å; F31-F35 HydrophobicContact CD1-CE2 3.88Å; F31-F35 AromaticContact CE1-CE2 3.67Å; F31-F35 HydrophobicContact CE1-CE2 3.67Å; F31-F35 HydrophobicContact CE1-CZ 4.15Å; F31-F35 HydrophobicContact CZ-CE2 4.4Å; F31-F35 WeakPolarHBondContact O-CD2 3.1Å; T32-F35 WeakPolarHBondContact O-CD2 3.45Å; L33-F35 VanDerWaalsContact C-N 3.3Å; F35-K42 HydrophobicContact CD1-CB 4.31Å; F35-K42 HydrophobicContact CD1-CD 4.34Å; F35-K42 HydrophobicContact CD2-CD 4.19Å; F35-K42 HydrophobicContact CE1-CB 3.65Å; F35-K42 HydrophobicContact CE1-CD 4.32Å; F35-K42 HydrophobicContact CE2-CD 4.21Å; F35-K42 HydrophobicContact CG-CD 4.24Å; F35-K42 HydrophobicContact CZ-CB 3.81Å; F35-K42 HydrophobicContact CZ-CD 4.26Å; F35-M46 HydrophobicContact CE1-CE 4.48Å; F35-M46 HydrophobicContact CZ-CE 4.34Å; F35-M46 HydrophobicContact CZ-SD 4.37Å; F35-L64 HydrophobicContact CD1-CD1 4.29Å; F35-L64 HydrophobicContact CE1-CD1 3.46Å; F35-L64 VanDerWaalsContact CE1-CD1 3.46Å; F35-L64 HydrophobicContact CE2-CD1 4.33Å; F35-L64 HydrophobicContact CZ-CD1 3.49Å; F35-L64 VanDerWaalsContact CZ-CD1 3.49Å
36	S	71.9	Confident	74.6	Confident	61 Å²	61	66.8 Å²	66.8	43%	0.427	33%	0.325	S	S	.	.			trans	-103.7	-162.3	177.7	62.1	0	0	0	0	109.7	Q34 D38 Y39	Q34-S36 PolarHBondContact O-N 3.24Å; S36-D38 PolarHBondContact O-N 3.44Å; S36-D38 PolarHBondContact OG-OD1 3.28Å; S36-Y39 WeakPolarHBondContact O-CB 3.07Å; S36-Y39 PolarHBondContact O-N 3.46Å
37	E	77.5	Confident	75.1	Confident	188 Å²	188	70 Å²	70	88%	0.879	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.3	179.3	-61.1	-164	163.6	0	0	113.8	Y39	E37-Y39 VanDerWaalsContact C-N 3.27Å; E37-Y39 PolarHBondContact O-N 2.7Å
38	D	82.8	Confident	75.4	Confident	65 Å²	65	70.6 Å²	70.6	35%	0.348	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	9.2	177.1	71.3	-8.4	0	0	0	114.5	S36 K40 D41 K42	S36-D38 PolarHBondContact O-N 3.44Å; S36-D38 PolarHBondContact OG-OD1 3.28Å; D38-K40 PolarHBondContact O-N 2.79Å; D38-D41 PolarHBondContact O-N 3.11Å; D38-K42 VanDerWaalsContact CG-NZ 3.33Å; D38-K42 PolarHBondContact O-N 3.38Å; D38-K42 WeakPolarHBondContact OD1-CD 3.4Å; D38-K42 WeakPolarHBondContact OD1-CE 3.11Å; D38-K42 IonicContact OD1-NZ 2.59Å; D38-K42 PolarHBondContact OD1-NZ 2.97Å; D38-K42 WeakPolarHBondContact OD2-CE 3.05Å; D38-K42 IonicContact OD2-NZ 2.73Å; D38-K42 PolarHBondContact OD2-NZ 3.23Å; D38-K42 VanDerWaalsContact OD2-NZ 3.11Å
39	Y	85.3	Confident	76	Confident	40 Å²	40	70 Å²	70	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-52.6	-33.3	-172.2	74.4	-86.8	0	0	0	114.1	S36 E37 D41 K42 C43 Q58 Q61	S36-Y39 WeakPolarHBondContact O-CB 3.07Å; S36-Y39 PolarHBondContact O-N 3.46Å; E37-Y39 VanDerWaalsContact C-N 3.27Å; E37-Y39 PolarHBondContact O-N 2.7Å; Y39-D41 PolarHBondContact O-N 2.81Å; Y39-K42 PolarHBondContact O-N 3.24Å; Y39-C43 WeakPolarHBondContact O-CB 3.42Å; Y39-C43 PolarHBondContact O-N 3.02Å; Y39-C43 PolarHBondContact O-SG 3.02Å; Y39-Q58 WeakPolarHBondContact CE2-O 3.04Å; Y39-Q61 HydrophobicContact CD1-CB 3.87Å; Y39-Q61 HydrophobicContact CD2-CB 4.4Å; Y39-Q61 HydrophobicContact CE1-CB 4.21Å; Y39-Q61 HydrophobicContact CG-CB 3.96Å
40	K	91.1	Very high	76.6	Confident	94 Å²	94	68.4 Å²	68.4	41%	0.409	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-40.3	179.4	-67.9	-177.7	-179.6	173.6	0	112.1	D38 C43 R44 Q58	D38-K40 PolarHBondContact O-N 2.79Å; K40-C43 WeakPolarHBondContact O-CB 3.48Å; K40-C43 PolarHBondContact O-N 2.93Å; K40-R44 WeakPolarHBondContact O-CG 3Å; K40-R44 PolarHBondContact O-N 2.88Å; K40-R44 VanDerWaalsContact O-N 3.13Å; K40-Q58 HydrophobicContact CB-CG 4.24Å; K40-Q58 HydrophobicContact CG-CB 4.33Å; K40-Q58 HydrophobicContact CG-CG 4.29Å
41	D	88.7	Confident	77.6	Confident	76 Å²	76	67.4 Å²	67.4	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-72	-40.9	178.4	-67.8	-39.3	0	0	0	111	D38 Y39 C43 R44 Q45	D38-D41 PolarHBondContact O-N 3.11Å; Y39-D41 PolarHBondContact O-N 2.81Å; D41-C43 VanDerWaalsContact C-N 3.31Å; D41-C43 PolarHBondContact O-N 2.89Å; D41-R44 WeakPolarHBondContact O-CB 3.46Å; D41-R44 PolarHBondContact O-N 2.03Å; D41-R44 VanDerWaalsContact O-N 3.1Å; D41-R44 IonicContact OD1-CZ 3.3Å; D41-R44 IonicContact OD1-NH1 3.72Å; D41-R44 PolarHBondContact OD1-NH1 2.85Å; D41-Q45 WeakPolarHBondContact O-CG 3.31Å; D41-Q45 PolarHBondContact O-N 3Å
42	K	83.8	Confident	78.6	Confident	49 Å²	49	67.8 Å²	67.8	21%	0.213	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-45.2	169.7	-72.6	175.5	174	151.2	0	111.5	F35 D38 Y39 R44 Q45 M46	F35-K42 HydrophobicContact CD1-CB 4.31Å; F35-K42 HydrophobicContact CD1-CD 4.34Å; F35-K42 HydrophobicContact CD2-CD 4.19Å; F35-K42 HydrophobicContact CE1-CB 3.65Å; F35-K42 HydrophobicContact CE1-CD 4.32Å; F35-K42 HydrophobicContact CE2-CD 4.21Å; F35-K42 HydrophobicContact CG-CD 4.24Å; F35-K42 HydrophobicContact CZ-CB 3.81Å; F35-K42 HydrophobicContact CZ-CD 4.26Å; D38-K42 VanDerWaalsContact CG-NZ 3.33Å; D38-K42 PolarHBondContact O-N 3.38Å; D38-K42 WeakPolarHBondContact OD1-CD 3.4Å; D38-K42 WeakPolarHBondContact OD1-CE 3.11Å; D38-K42 IonicContact OD1-NZ 2.59Å; D38-K42 PolarHBondContact OD1-NZ 2.97Å; D38-K42 WeakPolarHBondContact OD2-CE 3.05Å; D38-K42 IonicContact OD2-NZ 2.73Å; D38-K42 PolarHBondContact OD2-NZ 3.23Å; D38-K42 VanDerWaalsContact OD2-NZ 3.11Å; Y39-K42 PolarHBondContact O-N 3.24Å; K42-R44 VanDerWaalsContact C-N 3.32Å; K42-R44 PolarHBondContact O-N 3.39Å; K42-Q45 PolarHBondContact O-N 3.08Å; K42-M46 WeakPolarHBondContact O-CG 3.38Å; K42-M46 PolarHBondContact O-N 3.08Å
43	C	85.8	Confident	79.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-58.3	-40	175.5	-70.1	0	0	0	0	113.4	Y39 K40 D41 M46 R54 C57 Q58	Y39-C43 WeakPolarHBondContact O-CB 3.42Å; Y39-C43 PolarHBondContact O-N 3.02Å; Y39-C43 PolarHBondContact O-SG 3.02Å; K40-C43 WeakPolarHBondContact O-CB 3.48Å; K40-C43 PolarHBondContact O-N 2.93Å; D41-C43 VanDerWaalsContact C-N 3.31Å; D41-C43 PolarHBondContact O-N 2.89Å; C43-M46 HydrophobicContact CB-CE 4.33Å; C43-R54 VanDerWaalsContact O-CD 3.28Å; C43-R54 WeakPolarHBondContact O-CD 3.43Å; C43-R54 VanDerWaalsContact O-CG 3.25Å; C43-R54 WeakPolarHBondContact O-CG 3.16Å; C43-C57 HydrophobicContact CB-CB 3.74Å; C43-C57 WeakPolarHBondContact CB-SG 3.37Å; C43-C57 WeakPolarHBondContact SG-CB 3.19Å; C43-C57 PolarHBondContact SG-O 3.33Å; C43-C57 VanDerWaalsContact SG-O 3.37Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.04Å; C43-Q58 HydrophobicContact CB-CG 3.63Å
44	R	88.4	Confident	80.7	Confident	127 Å²	127	65.7 Å²	65.7	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-36.5	178.8	-69	167	-169.3	162	-6.7	112.3	K40 D41 K42 M46 R54	K40-R44 WeakPolarHBondContact O-CG 3Å; K40-R44 PolarHBondContact O-N 2.88Å; K40-R44 VanDerWaalsContact O-N 3.13Å; D41-R44 WeakPolarHBondContact O-CB 3.46Å; D41-R44 PolarHBondContact O-N 2.03Å; D41-R44 VanDerWaalsContact O-N 3.1Å; D41-R44 IonicContact OD1-CZ 3.3Å; D41-R44 IonicContact OD1-NH1 3.72Å; D41-R44 PolarHBondContact OD1-NH1 2.85Å; K42-R44 VanDerWaalsContact C-N 3.32Å; K42-R44 PolarHBondContact O-N 3.39Å; R44-M46 VanDerWaalsContact C-N 3.32Å; R44-R54 WeakPolarHBondContact O-CD 3.32Å
45	Q	82	Confident	81.8	Confident	136 Å²	136	67 Å²	67	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-78.2	-12.1	-178.2	-66.8	173.1	16.7	0	0	113.8	D41 K42 H47	D41-Q45 WeakPolarHBondContact O-CG 3.31Å; D41-Q45 PolarHBondContact O-N 3Å; K42-Q45 PolarHBondContact O-N 3.08Å; Q45-H47 PolarHBondContact O-CD2 3.42Å; Q45-H47 PolarHBondContact O-N 3.28Å
46	M	75.5	Confident	83	Confident	12 Å²	12	66 Å²	66	6%	0.059	31%	0.313	C	S	.	.			trans	-75.8	73.3	173.8	-69.8	-170.5	-68	0	0	111.6	F35 K42 C43 R44 Y48 L49 R54 C57 L64	F35-M46 HydrophobicContact CE1-CE 4.48Å; F35-M46 HydrophobicContact CZ-CE 4.34Å; F35-M46 HydrophobicContact CZ-SD 4.37Å; K42-M46 WeakPolarHBondContact O-CG 3.38Å; K42-M46 PolarHBondContact O-N 3.08Å; C43-M46 HydrophobicContact CB-CE 4.33Å; R44-M46 VanDerWaalsContact C-N 3.32Å; M46-Y48 HydrophobicContact CB-CD1 4Å; M46-Y48 HydrophobicContact CB-CE1 3.65Å; M46-Y48 HydrophobicContact CG-CD1 4.42Å; M46-Y48 HydrophobicContact CG-CE1 3.65Å; M46-Y48 PolarHBondContact O-N 3.34Å; M46-Y48 VanDerWaalsContact O-N 3.08Å; M46-Y48 HydrophobicContact SD-CE1 3.81Å; M46-Y48 PolarHBondContact SD-OH 2.97Å; M46-L49 HydrophobicContact CB-CD1 4.09Å; M46-L49 HydrophobicContact CB-CG 4.18Å; M46-L49 HydrophobicContact CE-CD1 3.49Å; M46-L49 VanDerWaalsContact CE-CD1 3.49Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 PolarHBondContact O-N 3.12Å; M46-L49 HydrophobicContact SD-CD1 3.99Å; M46-R54 WeakPolarHBondContact O-CD 3.06Å; M46-C57 WeakPolarHBondContact CE-SG 3.39Å; M46-L64 HydrophobicContact CE-CD1 3.18Å; M46-L64 HydrophobicContact CE-CD2 4.04Å; M46-L64 HydrophobicContact CE-CG 4.12Å; M46-L64 HydrophobicContact SD-CD1 3.77Å
47	H	71.7	Confident	83.9	Confident	140 Å²	140	63.2 Å²	63.2	65%	0.648	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.8	-177.7	-66.2	-67.9	0	0	0	114.2	Q45	Q45-H47 PolarHBondContact O-CD2 3.42Å; Q45-H47 PolarHBondContact O-N 3.28Å
48	Y	67.7	Low	84.6	Confident	50 Å²	50	56.5 Å²	56.5	20%	0.196	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-39.8	173.5	72.1	-95.6	0	0	0	111.8	A18 M46	A18-Y48 HydrophobicContact CB-CG 4.5Å; A18-Y48 CarbonylContact O-C 3.36Å; A18-Y48 WeakPolarHBondContact O-CA 3.28Å; A18-Y48 VanDerWaalsContact O-CB 3.23Å; A18-Y48 WeakPolarHBondContact O-CB 3.02Å; A18-Y48 WeakPolarHBondContact O-CD2 3.45Å; M46-Y48 HydrophobicContact CB-CD1 4Å; M46-Y48 HydrophobicContact CB-CE1 3.65Å; M46-Y48 HydrophobicContact CG-CD1 4.42Å; M46-Y48 HydrophobicContact CG-CE1 3.65Å; M46-Y48 PolarHBondContact O-N 3.34Å; M46-Y48 VanDerWaalsContact O-N 3.08Å; M46-Y48 HydrophobicContact SD-CE1 3.81Å; M46-Y48 PolarHBondContact SD-OH 2.97Å
49	L	75.1	Confident	85.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-68.3	141.3	173.3	-62.7	-177.5	0	0	0	110.8	W20 L23 M46 Q53 R54 L64 F247	W20-L49 HydrophobicContact CB-CD2 3.42Å; W20-L49 VanDerWaalsContact CB-CD2 3.42Å; L23-L49 HydrophobicContact CD1-CD2 4.49Å; M46-L49 HydrophobicContact CB-CD1 4.09Å; M46-L49 HydrophobicContact CB-CG 4.18Å; M46-L49 HydrophobicContact CE-CD1 3.49Å; M46-L49 VanDerWaalsContact CE-CD1 3.49Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 PolarHBondContact O-N 3.12Å; M46-L49 HydrophobicContact SD-CD1 3.99Å; L49-Q53 HydrophobicContact CB-CB 3.94Å; L49-Q53 HydrophobicContact CD2-CB 4.38Å; L49-R54 HydrophobicContact CB-CG 3.8Å; L49-R54 PolarHBondContact O-NH1 3.45Å; L49-L64 HydrophobicContact CD1-CD2 4.08Å; L49-F247 HydrophobicContact CD2-CZ 4.41Å
50	V	78.7	Confident	85.4	Confident	28 Å²	28	56 Å²	56	17%	0.17	26%	0.263	C	S	.	.			trans	-70.7	161.3	173.8	-59	0	0	0	0	111.1	P17 R52 Q53 R54 N251	P17-V50 HydrophobicContact CB-CG1 4.39Å; V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 3.08Å; V50-R52 VanDerWaalsContact O-N 3.14Å; V50-Q53 HydrophobicContact CG2-CB 4.23Å; V50-Q53 HydrophobicContact CG2-CG 3.9Å; V50-Q53 WeakPolarHBondContact O-CB 3.33Å; V50-Q53 PolarHBondContact O-N 3.43Å; V50-R54 PolarHBondContact O-N 2.77Å; V50-N251 VanDerWaalsContact CG1-OD1 3.23Å; V50-N251 WeakPolarHBondContact CG1-OD1 3.32Å; V50-N251 VanDerWaalsContact CG2-OD1 3.3Å; V50-N251 WeakPolarHBondContact CG2-OD1 3.4Å
51	A	86.3	Confident	85.3	Confident	55 Å²	55	56.2 Å²	56.2	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-48.7	-46.9	-175.2	0	0	0	0	0	113.1	Q53 R54 E55	A51-Q53 PolarHBondContact O-N 3.38Å; A51-R54 WeakPolarHBondContact O-CB 3.43Å; A51-R54 PolarHBondContact O-N 2.81Å; A51-E55 PolarHBondContact O-N 2.89Å
52	R	89	Confident	85.4	Confident	101 Å²	101	55.5 Å²	55.5	38%	0.381	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-38.9	178.5	-178.6	57.3	179.2	166.4	0.9	113.3	V50 R54 E55 L56 D246 S250	V50-R52 VanDerWaalsContact C-N 3.27Å; V50-R52 PolarHBondContact O-N 3.08Å; V50-R52 VanDerWaalsContact O-N 3.14Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R52-E55 WeakPolarHBondContact CD-OE2 3.1Å; R52-E55 IonicContact CZ-OE2 3.7Å; R52-E55 IonicContact NH1-OE2 2.71Å; R52-E55 PolarHBondContact NH1-OE2 3.31Å; R52-E55 WeakPolarHBondContact O-CB 3.35Å; R52-E55 PolarHBondContact O-N 3.14Å; R52-L56 HydrophobicContact CG-CD1 4.33Å; R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 3.31Å; R52-D246 IonicContact CZ-OD2 2.95Å; R52-D246 IonicContact NH2-OD2 3.95Å; R52-D246 PolarHBondContact NH2-OD2 3.41Å; R52-S250 VanDerWaalsContact CB-OG 3.3Å; R52-S250 WeakPolarHBondContact CB-OG 3.47Å; R52-S250 WeakPolarHBondContact CG-OG 3.5Å
53	Q	88.8	Confident	85.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-37.8	175.4	-74.9	163.3	-11.9	0	0	111.8	L49 V50 A51 E55 L56 C57 F247 N251	L49-Q53 HydrophobicContact CB-CB 3.94Å; L49-Q53 HydrophobicContact CD2-CB 4.38Å; V50-Q53 HydrophobicContact CG2-CB 4.23Å; V50-Q53 HydrophobicContact CG2-CG 3.9Å; V50-Q53 WeakPolarHBondContact O-CB 3.33Å; V50-Q53 PolarHBondContact O-N 3.43Å; A51-Q53 PolarHBondContact O-N 3.38Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-C57 VanDerWaalsContact O-CB 3.28Å; Q53-C57 WeakPolarHBondContact O-CB 3.33Å; Q53-C57 PolarHBondContact O-N 3.44Å; Q53-F247 HydrophobicContact CB-CD2 4.27Å; Q53-F247 HydrophobicContact CB-CE2 3.84Å; Q53-F247 HydrophobicContact CB-CZ 4.18Å; Q53-F247 HydrophobicContact CG-CD1 4.38Å; Q53-F247 HydrophobicContact CG-CD2 4Å; Q53-F247 HydrophobicContact CG-CE1 4.23Å; Q53-F247 HydrophobicContact CG-CE2 3.87Å; Q53-F247 HydrophobicContact CG-CG 4.25Å; Q53-F247 HydrophobicContact CG-CZ 3.99Å; Q53-F247 WeakPolarHBondContact CG-O 3.11Å; Q53-F247 PolarHBondContact NE2-O 2.77Å; Q53-N251 PolarHBondContact NE2-OD1 3.27Å; Q53-N251 PolarHBondContact OE1-OD1 3.18Å
54	R	88.6	Confident	85.9	Confident	60 Å²	60	53.3 Å²	53.3	23%	0.226	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-36.2	174.7	-64.3	-170.2	-66.7	-108	6.2	112.3	C43 R44 M46 L49 V50 A51 R52 C57 Q58	C43-R54 VanDerWaalsContact O-CD 3.28Å; C43-R54 WeakPolarHBondContact O-CD 3.43Å; C43-R54 VanDerWaalsContact O-CG 3.25Å; C43-R54 WeakPolarHBondContact O-CG 3.16Å; R44-R54 WeakPolarHBondContact O-CD 3.32Å; M46-R54 WeakPolarHBondContact O-CD 3.06Å; L49-R54 HydrophobicContact CB-CG 3.8Å; L49-R54 PolarHBondContact O-NH1 3.45Å; V50-R54 PolarHBondContact O-N 2.77Å; A51-R54 WeakPolarHBondContact O-CB 3.43Å; A51-R54 PolarHBondContact O-N 2.81Å; R52-R54 VanDerWaalsContact C-N 3.34Å; R54-C57 WeakPolarHBondContact O-CB 3.27Å; R54-Q58 WeakPolarHBondContact O-CG 3.32Å; R54-Q58 PolarHBondContact O-N 2.8Å; R54-Q58 PolarHBondContact O-NE2 3.24Å
55	E	92.3	Very high	85.9	Confident	100 Å²	100	47.9 Å²	47.9	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-47.8	172.7	-69.6	165.3	-164.3	0	0	111.4	A51 R52 Q53 C57 Q58	A51-E55 PolarHBondContact O-N 2.89Å; R52-E55 WeakPolarHBondContact CD-OE2 3.1Å; R52-E55 IonicContact CZ-OE2 3.7Å; R52-E55 IonicContact NH1-OE2 2.71Å; R52-E55 PolarHBondContact NH1-OE2 3.31Å; R52-E55 WeakPolarHBondContact O-CB 3.35Å; R52-E55 PolarHBondContact O-N 3.14Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; E55-C57 VanDerWaalsContact C-N 3.31Å; E55-C57 PolarHBondContact O-N 3.09Å; E55-Q58 WeakPolarHBondContact O-CB 3.02Å; E55-Q58 PolarHBondContact O-N 3.4Å
56	L	92.7	Very high	86.4	Confident	3 Å²	3	42 Å²	42	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-39	179.6	-65.4	169.6	0	0	0	111.8	R52 Q53 Q58 I59 M63 L243 D246 F247	R52-L56 HydrophobicContact CG-CD1 4.33Å; R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 3.31Å; Q53-L56 PolarHBondContact O-N 3.08Å; L56-Q58 PolarHBondContact O-N 2.05Å; L56-I59 HydrophobicContact CD2-CD1 3.8Å; L56-I59 VanDerWaalsContact O-CB 3.3Å; L56-I59 WeakPolarHBondContact O-CB 3.44Å; L56-I59 WeakPolarHBondContact O-CG1 3.49Å; L56-I59 PolarHBondContact O-N 3.06Å; L56-I59 VanDerWaalsContact O-N 3.1Å; L56-M63 WeakPolarHBondContact O-CG 3.42Å; L56-L243 HydrophobicContact CD2-CD1 3.82Å; L56-D246 HydrophobicContact CD1-CB 3.7Å; L56-D246 WeakPolarHBondContact CD1-O 3.21Å; L56-D246 HydrophobicContact CD2-CB 4.19Å; L56-F247 HydrophobicContact CB-CD2 4.18Å; L56-F247 HydrophobicContact CD1-CB 3.85Å; L56-F247 HydrophobicContact CD1-CD2 4.06Å; L56-F247 HydrophobicContact CD1-CG 4.43Å
57	C	90.3	Very high	87.2	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-53.1	-37.1	172.3	-179.5	0	0	0	0	112.5	C43 M46 Q53 R54 E55 I59 L64	C43-C57 HydrophobicContact CB-CB 3.74Å; C43-C57 WeakPolarHBondContact CB-SG 3.37Å; C43-C57 WeakPolarHBondContact SG-CB 3.19Å; C43-C57 PolarHBondContact SG-O 3.33Å; C43-C57 VanDerWaalsContact SG-O 3.37Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.04Å; M46-C57 WeakPolarHBondContact CE-SG 3.39Å; Q53-C57 VanDerWaalsContact O-CB 3.28Å; Q53-C57 WeakPolarHBondContact O-CB 3.33Å; Q53-C57 PolarHBondContact O-N 3.44Å; R54-C57 WeakPolarHBondContact O-CB 3.27Å; E55-C57 VanDerWaalsContact C-N 3.31Å; E55-C57 PolarHBondContact O-N 3.09Å; C57-I59 PolarHBondContact O-N 3.33Å; C57-L64 HydrophobicContact CB-CD2 4.12Å; C57-L64 HydrophobicContact CB-CG 4.37Å; C57-L64 WeakPolarHBondContact SG-CD1 3.09Å; C57-L64 WeakPolarHBondContact SG-CG 3.49Å
58	Q	93	Very high	87.9	Confident	47 Å²	47	34.9 Å²	34.9	22%	0.22	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.3	-178.3	-69.5	167.9	75	0	0	114	Y39 K40 C43 R54 E55 L56	Y39-Q58 WeakPolarHBondContact CE2-O 3.04Å; K40-Q58 HydrophobicContact CB-CG 4.24Å; K40-Q58 HydrophobicContact CG-CB 4.33Å; K40-Q58 HydrophobicContact CG-CG 4.29Å; C43-Q58 HydrophobicContact CB-CG 3.63Å; R54-Q58 WeakPolarHBondContact O-CG 3.32Å; R54-Q58 PolarHBondContact O-N 2.8Å; R54-Q58 PolarHBondContact O-NE2 3.24Å; E55-Q58 WeakPolarHBondContact O-CB 3.02Å; E55-Q58 PolarHBondContact O-N 3.4Å; L56-Q58 PolarHBondContact O-N 2.05Å
59	I	91.7	Very high	88.9	Confident	83 Å²	83	37.2 Å²	37.2	43%	0.426	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-34.7	179.2	-66.4	173.8	0	0	0	111.6	L56 C57 M63 P206	L56-I59 HydrophobicContact CD2-CD1 3.8Å; L56-I59 VanDerWaalsContact O-CB 3.3Å; L56-I59 WeakPolarHBondContact O-CB 3.44Å; L56-I59 WeakPolarHBondContact O-CG1 3.49Å; L56-I59 PolarHBondContact O-N 3.06Å; L56-I59 VanDerWaalsContact O-N 3.1Å; C57-I59 PolarHBondContact O-N 3.33Å; I59-M63 HydrophobicContact CB-CE 3.9Å; I59-M63 HydrophobicContact CD1-CE 4.46Å; I59-M63 HydrophobicContact CG2-CE 4.01Å; I59-P206 HydrophobicContact CG2-CG 4.34Å
60	S	91.7	Very high	89.7	Confident	13 Å²	13	37.2 Å²	37.2	9%	0.091	19%	0.185	C	C	.	.			trans	-155.7	143.9	-178	173.7	0	0	0	0	110.5	N62 M63	S60-N62 PolarHBondContact O-N 2.04Å; S60-N62 VanDerWaalsContact O-N 3.16Å; S60-N62 PolarHBondContact OG-N 2.8Å; S60-M63 VanDerWaalsContact O-CB 3.22Å; S60-M63 WeakPolarHBondContact O-CB 3.48Å; S60-M63 PolarHBondContact O-N 2.88Å
61	Q	90.2	Very high	90.1	Very high	98 Å²	98	36 Å²	36	46%	0.458	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.2	173	72.3	-175.8	18.1	0	0	112.5	Y39	Y39-Q61 HydrophobicContact CD1-CB 3.87Å; Y39-Q61 HydrophobicContact CD2-CB 4.4Å; Y39-Q61 HydrophobicContact CE1-CB 4.21Å; Y39-Q61 HydrophobicContact CG-CB 3.96Å
62	N	90.3	Very high	90	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7	-178.6	-65.1	-24.9	0	0	0	113	S60 L64 A65 I66 D204	S60-N62 PolarHBondContact O-N 2.04Å; S60-N62 VanDerWaalsContact O-N 3.16Å; S60-N62 PolarHBondContact OG-N 2.8Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-A65 PolarHBondContact O-N 2.78Å; N62-I66 HydrophobicContact CB-CD1 3.79Å; N62-I66 HydrophobicContact CB-CG1 4.39Å; N62-I66 WeakPolarHBondContact O-CD1 3.4Å; N62-I66 VanDerWaalsContact O-CG1 3.26Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 2.93Å; N62-D204 PolarHBondContact ND2-O 2.69Å
63	M	92.1	Very high	90	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-50.5	-169.1	-177.3	61.2	69.9	0	0	112.3	L56 I59 S60 I66 V67 L205 L243	L56-M63 WeakPolarHBondContact O-CG 3.42Å; I59-M63 HydrophobicContact CB-CE 3.9Å; I59-M63 HydrophobicContact CD1-CE 4.46Å; I59-M63 HydrophobicContact CG2-CE 4.01Å; S60-M63 VanDerWaalsContact O-CB 3.22Å; S60-M63 WeakPolarHBondContact O-CB 3.48Å; S60-M63 PolarHBondContact O-N 2.88Å; M63-I66 PolarHBondContact O-N 3.2Å; M63-V67 WeakPolarHBondContact O-CG2 3.44Å; M63-V67 PolarHBondContact O-N 2.05Å; M63-V67 HydrophobicContact SD-CG2 4.37Å; M63-L205 HydrophobicContact CE-CD2 3.76Å; M63-L205 HydrophobicContact SD-CD2 4.32Å; M63-L243 HydrophobicContact CE-CD2 3.81Å; M63-L243 HydrophobicContact SD-CD2 4.02Å
64	L	88.4	Confident	90.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-39.1	-179.8	-67.1	176.2	0	0	0	112.6	L23 T32 F35 M46 L49 C57 N62 I66 V67 S68	L23-L64 HydrophobicContact CD1-CD2 3.99Å; L23-L64 HydrophobicContact CD2-CD2 4.43Å; T32-L64 HydrophobicContact CG2-CB 3.53Å; T32-L64 HydrophobicContact CG2-CD1 4.02Å; T32-L64 HydrophobicContact CG2-CG 4.44Å; F35-L64 HydrophobicContact CD1-CD1 4.29Å; F35-L64 HydrophobicContact CE1-CD1 3.46Å; F35-L64 VanDerWaalsContact CE1-CD1 3.46Å; F35-L64 HydrophobicContact CE2-CD1 4.33Å; F35-L64 HydrophobicContact CZ-CD1 3.49Å; F35-L64 VanDerWaalsContact CZ-CD1 3.49Å; M46-L64 HydrophobicContact CE-CD1 3.18Å; M46-L64 HydrophobicContact CE-CD2 4.04Å; M46-L64 HydrophobicContact CE-CG 4.12Å; M46-L64 HydrophobicContact SD-CD1 3.77Å; L49-L64 HydrophobicContact CD1-CD2 4.08Å; C57-L64 HydrophobicContact CB-CD2 4.12Å; C57-L64 HydrophobicContact CB-CG 4.37Å; C57-L64 WeakPolarHBondContact SG-CD1 3.09Å; C57-L64 WeakPolarHBondContact SG-CG 3.49Å; N62-L64 PolarHBondContact O-N 2.91Å; L64-I66 VanDerWaalsContact C-N 3.26Å; L64-I66 PolarHBondContact O-N 3.05Å; L64-V67 PolarHBondContact O-N 3.05Å; L64-S68 WeakPolarHBondContact O-CB 3.46Å; L64-S68 PolarHBondContact O-N 3.24Å
65	A	88.2	Confident	90	Very high	12 Å²	12	31.4 Å²	31.4	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-40.4	177.1	0	0	0	0	0	110.6	Y29 T32 L33 N62 K69	Y29-A65 HydrophobicContact CE2-CB 4.37Å; Y29-A65 WeakPolarHBondContact CE2-O 3.48Å; T32-A65 WeakPolarHBondContact OG1-CA 3.1Å; L33-A65 HydrophobicContact CD2-CB 3.99Å; N62-A65 PolarHBondContact O-N 2.78Å; A65-K69 VanDerWaalsContact O-CB 3.22Å; A65-K69 WeakPolarHBondContact O-CB 3.38Å; A65-K69 PolarHBondContact O-N 3.21Å
66	I	92.1	Very high	89.7	Confident	14 Å²	14	33.6 Å²	33.6	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-46.5	177.1	-67.6	161.4	0	0	0	111.4	N62 M63 L64 K69 G70 S195 I196 A199 D204 L205	N62-I66 HydrophobicContact CB-CD1 3.79Å; N62-I66 HydrophobicContact CB-CG1 4.39Å; N62-I66 WeakPolarHBondContact O-CD1 3.4Å; N62-I66 VanDerWaalsContact O-CG1 3.26Å; N62-I66 WeakPolarHBondContact O-CG1 3.49Å; N62-I66 PolarHBondContact O-N 2.93Å; M63-I66 PolarHBondContact O-N 3.2Å; L64-I66 VanDerWaalsContact C-N 3.26Å; L64-I66 PolarHBondContact O-N 3.05Å; I66-K69 PolarHBondContact O-N 3.05Å; I66-G70 PolarHBondContact O-N 3.12Å; I66-S195 VanDerWaalsContact O-CB 3.26Å; I66-S195 WeakPolarHBondContact O-CB 3.34Å; I66-S195 PolarHBondContact O-OG 2.94Å; I66-I196 HydrophobicContact CG2-CG1 3.96Å; I66-A199 HydrophobicContact CD1-CB 3.55Å; I66-A199 HydrophobicContact CG1-CB 3.95Å; I66-A199 HydrophobicContact CG2-CB 3.93Å; I66-D204 HydrophobicContact CD1-CB 4.46Å; I66-L205 HydrophobicContact CD1-CD1 3.92Å; I66-L205 HydrophobicContact CD1-CD2 3.6Å; I66-L205 HydrophobicContact CD1-CG 3.47Å; I66-L205 VanDerWaalsContact CD1-CG 3.47Å
67	V	91.9	Very high	89.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-45.9	176.7	169.2	0	0	0	0	110.8	W20 L23 M63 L64 G70 A71 V192 F247	W20-V67 HydrophobicContact CE3-CG1 4.15Å; W20-V67 HydrophobicContact CZ3-CG1 4.06Å; L23-V67 HydrophobicContact CD1-CG1 4.08Å; M63-V67 WeakPolarHBondContact O-CG2 3.44Å; M63-V67 PolarHBondContact O-N 2.05Å; M63-V67 HydrophobicContact SD-CG2 4.37Å; L64-V67 PolarHBondContact O-N 3.05Å; V67-G70 WeakPolarHBondContact O-CA 3.01Å; V67-G70 PolarHBondContact O-N 3.14Å; V67-G70 VanDerWaalsContact O-N 3.14Å; V67-A71 PolarHBondContact O-N 3.32Å; V67-V192 HydrophobicContact CG1-CG1 4.4Å; V67-V192 HydrophobicContact CG1-CG2 4.2Å; V67-V192 HydrophobicContact CG2-CG1 4.28Å; V67-F247 HydrophobicContact CG1-CD1 3.86Å; V67-F247 HydrophobicContact CG1-CE1 3.45Å; V67-F247 VanDerWaalsContact CG1-CE1 3.45Å; V67-F247 HydrophobicContact CG1-CE2 4.48Å; V67-F247 HydrophobicContact CG1-CZ 3.81Å; V67-F247 HydrophobicContact CG2-CD1 4.45Å; V67-F247 HydrophobicContact CG2-CD2 4.34Å; V67-F247 HydrophobicContact CG2-CE2 4.41Å; V67-F247 HydrophobicContact CG2-CG 4.37Å
68	S	86.6	Confident	89.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-47.1	178.3	171.9	0	0	0	0	111.7	L23 Y29 L64 G70 A71 Q72	L23-S68 VanDerWaalsContact O-CB 3.31Å; L23-S68 WeakPolarHBondContact O-CB 3.36Å; L23-S68 PolarHBondContact O-OG 2.94Å; Y29-S68 WeakPolarHBondContact CA-OG 3.16Å; Y29-S68 WeakPolarHBondContact CB-OG 3.34Å; Y29-S68 WeakPolarHBondContact CD2-OG 3.27Å; L64-S68 WeakPolarHBondContact O-CB 3.46Å; L64-S68 PolarHBondContact O-N 3.24Å; S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 2.9Å; S68-A71 WeakPolarHBondContact O-CB 3.3Å; S68-A71 PolarHBondContact O-N 3.31Å; S68-A71 VanDerWaalsContact O-N 3.13Å; S68-Q72 PolarHBondContact O-N 2.91Å
69	K	88.6	Confident	89.6	Confident	99 Å²	99	34.4 Å²	34.4	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-57.6	-41.3	173.2	-177.9	176.9	-177.6	176.8	0	112	Y29 A65 I66 M73	Y29-K69 HydrophobicContact CE2-CB 4.15Å; A65-K69 VanDerWaalsContact O-CB 3.22Å; A65-K69 WeakPolarHBondContact O-CB 3.38Å; A65-K69 PolarHBondContact O-N 3.21Å; I66-K69 PolarHBondContact O-N 3.05Å; K69-M73 WeakPolarHBondContact O-CB 3.06Å; K69-M73 PolarHBondContact O-N 3.41Å
70	G	91.9	Very high	89.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-41.3	175.3	0	0	0	0	0	112.9	I66 V67 S68 M73 G74 G191 S195	I66-G70 PolarHBondContact O-N 3.12Å; V67-G70 WeakPolarHBondContact O-CA 3.01Å; V67-G70 PolarHBondContact O-N 3.14Å; V67-G70 VanDerWaalsContact O-N 3.14Å; S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 2.9Å; G70-M73 PolarHBondContact O-N 3.39Å; G70-G74 PolarHBondContact O-N 2.01Å; G70-G191 WeakPolarHBondContact CA-O 3.29Å; G70-G191 CarbonylContact O-C 3.49Å; G70-G191 WeakPolarHBondContact O-CA 3.26Å; G70-S195 WeakPolarHBondContact CA-OG 3.42Å
71	A	87.9	Confident	89.7	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-43.5	177.1	0	0	0	0	0	112.1	W20 A24 V67 S68 M73 G74 L75	W20-A71 HydrophobicContact CZ3-CB 3.93Å; A24-A71 HydrophobicContact CB-CB 3.68Å; V67-A71 PolarHBondContact O-N 3.32Å; S68-A71 WeakPolarHBondContact O-CB 3.3Å; S68-A71 PolarHBondContact O-N 3.31Å; S68-A71 VanDerWaalsContact O-N 3.13Å; A71-M73 VanDerWaalsContact C-N 3.35Å; A71-G74 PolarHBondContact O-N 3.26Å; A71-L75 PolarHBondContact O-N 2.92Å
72	Q	84.6	Confident	89.8	Confident	48 Å²	48	30.3 Å²	30.3	22%	0.224	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-44	173.3	-80.5	-179.1	-6.3	0	0	112.3	A24 T25 S68 G74 L75 K76	A24-Q72 WeakPolarHBondContact O-CG 3.13Å; T25-Q72 PolarHBondContact O-NE2 3Å; S68-Q72 PolarHBondContact O-N 2.91Å; Q72-G74 VanDerWaalsContact C-N 3.32Å; Q72-G74 PolarHBondContact O-N 3.47Å; Q72-L75 PolarHBondContact O-N 3.16Å; Q72-K76 WeakPolarHBondContact O-CB 3.25Å; Q72-K76 PolarHBondContact O-N 2.84Å
73	M	89	Confident	89.8	Confident	50 Å²	50	30.4 Å²	30.4	25%	0.246	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-44.9	176.7	-166.5	-173.4	-58.4	0	0	110.8	K69 G70 A71 E77 Y194 F306	K69-M73 WeakPolarHBondContact O-CB 3.06Å; K69-M73 PolarHBondContact O-N 3.41Å; G70-M73 PolarHBondContact O-N 3.39Å; A71-M73 VanDerWaalsContact C-N 3.35Å; M73-E77 WeakPolarHBondContact O-CB 3.07Å; M73-E77 PolarHBondContact O-N 2.78Å; M73-Y194 HydrophobicContact CE-CD1 3.96Å; M73-Y194 HydrophobicContact CE-CE1 4.17Å; M73-Y194 HydrophobicContact SD-CD1 3.62Å; M73-Y194 HydrophobicContact SD-CE1 3.91Å; M73-Y194 HydrophobicContact SD-CG 4.37Å; M73-F306 HydrophobicContact CB-CD1 4.5Å; M73-F306 HydrophobicContact CB-CE1 4.38Å; M73-F306 HydrophobicContact CG-CB 4.24Å; M73-F306 HydrophobicContact CG-CD1 3.45Å; M73-F306 VanDerWaalsContact CG-CD1 3.45Å; M73-F306 HydrophobicContact CG-CD2 4.37Å; M73-F306 HydrophobicContact CG-CE1 3.78Å; M73-F306 HydrophobicContact CG-CG 3.76Å; M73-F306 HydrophobicContact CG-CZ 4.38Å; M73-F306 WeakPolarHBondContact O-CE1 3.09Å; M73-F306 HydrophobicContact SD-CB 3.69Å; M73-F306 HydrophobicContact SD-CD1 3.81Å; M73-F306 HydrophobicContact SD-CD2 3.66Å; M73-F306 HydrophobicContact SD-CE1 4.32Å; M73-F306 HydrophobicContact SD-CE2 4.23Å; M73-F306 HydrophobicContact SD-CG 3.43Å; M73-F306 WeakPolarHBondContact SD-CG 3.31Å
74	G	91.5	Very high	89.6	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-45.7	174.8	0	0	0	0	0	113.4	G70 A71 Q72 C78	G70-G74 PolarHBondContact O-N 2.01Å; A71-G74 PolarHBondContact O-N 3.26Å; Q72-G74 VanDerWaalsContact C-N 3.32Å; Q72-G74 PolarHBondContact O-N 3.47Å; G74-C78 VanDerWaalsContact O-CB 3.32Å; G74-C78 WeakPolarHBondContact O-CB 3.29Å; G74-C78 PolarHBondContact O-N 3.02Å
75	L	85	Confident	89.8	Confident	19 Å²	19	32.7 Å²	32.7	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-52.8	177.3	167.2	55.6	0	0	0	111.8	A71 Q72 E77 C78 Q79 T91 F150	A71-L75 PolarHBondContact O-N 2.92Å; Q72-L75 PolarHBondContact O-N 3.16Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.81Å; L75-C78 WeakPolarHBondContact O-CB 3.47Å; L75-C78 PolarHBondContact O-N 2.85Å; L75-C78 VanDerWaalsContact O-N 3.1Å; L75-Q79 HydrophobicContact CD1-CG 4.11Å; L75-Q79 PolarHBondContact O-N 3.25Å; L75-T91 HydrophobicContact CD1-CG2 3.27Å; L75-T91 HydrophobicContact CD2-CG2 4.07Å; L75-T91 HydrophobicContact CG-CG2 4.33Å; L75-F150 HydrophobicContact CB-CE1 4.37Å; L75-F150 HydrophobicContact CB-CZ 4.36Å; L75-F150 HydrophobicContact CD1-CD1 3.91Å; L75-F150 HydrophobicContact CD1-CE1 3.28Å; L75-F150 HydrophobicContact CD1-CZ 4Å; L75-F150 HydrophobicContact CG-CE1 4.39Å
76	K	85.4	Confident	90	Very high	147 Å²	147	35.1 Å²	35.1	64%	0.639	18%	0.184	S	C	*	.	H	α-helix	trans	-60.3	-40.7	-179.2	-175.9	177.4	-179.7	179.5	0	111.8	Q72 Q79 T80	Q72-K76 WeakPolarHBondContact O-CB 3.25Å; Q72-K76 PolarHBondContact O-N 2.84Å; K76-Q79 PolarHBondContact O-N 3.46Å; K76-T80 WeakPolarHBondContact O-CB 3.05Å; K76-T80 PolarHBondContact O-N 2.68Å; K76-T80 PolarHBondContact O-OG1 2.87Å
77	E	94.1	Very high	89.8	Confident	19 Å²	19	35.2 Å²	35.2	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-39.4	176.6	-169.7	57.3	-140.1	0	0	111.6	M73 L75 T80 Q81 I187 F306 H307	M73-E77 WeakPolarHBondContact O-CB 3.07Å; M73-E77 PolarHBondContact O-N 2.78Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 2.81Å; E77-T80 WeakPolarHBondContact O-CB 3.32Å; E77-T80 PolarHBondContact O-N 2.96Å; E77-T80 VanDerWaalsContact O-N 3.17Å; E77-Q81 HydrophobicContact CG-CG 4.3Å; E77-Q81 VanDerWaalsContact O-CG 3.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3.14Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.5Å; E77-Q81 PolarHBondContact OE1-NE2 2.69Å; E77-I187 HydrophobicContact CB-CD1 4.33Å; E77-I187 HydrophobicContact CB-CG1 4.29Å; E77-I187 HydrophobicContact CG-CD1 4.03Å; E77-I187 HydrophobicContact CG-CG1 4.44Å; E77-F306 HydrophobicContact CB-CD1 3.71Å; E77-F306 HydrophobicContact CB-CE1 3.56Å; E77-F306 HydrophobicContact CG-CD1 3.86Å; E77-F306 HydrophobicContact CG-CE1 3.95Å; E77-H307 WeakPolarHBondContact OE1-CA 3.38Å; E77-H307 IonicContact OE1-CE1 3.37Å; E77-H307 IonicContact OE1-CG 3.39Å; E77-H307 IonicContact OE1-ND1 2.66Å; E77-H307 PolarHBondContact OE1-ND1 2.89Å; E77-H307 WeakPolarHBondContact OE2-CA 3.38Å; E77-H307 IonicContact OE2-ND1 3.41Å
78	C	92.7	Very high	89.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-47.2	175.1	-173.1	0	0	0	0	112.2	G74 L75 T80 Q81 F82 C89 F150 Y183 I187	G74-C78 VanDerWaalsContact O-CB 3.32Å; G74-C78 WeakPolarHBondContact O-CB 3.29Å; G74-C78 PolarHBondContact O-N 3.02Å; L75-C78 WeakPolarHBondContact O-CB 3.47Å; L75-C78 PolarHBondContact O-N 2.85Å; L75-C78 VanDerWaalsContact O-N 3.1Å; C78-T80 VanDerWaalsContact C-N 3.25Å; C78-T80 PolarHBondContact O-N 3.17Å; C78-Q81 PolarHBondContact O-N 2.8Å; C78-F82 WeakPolarHBondContact O-CB 3.2Å; C78-F82 WeakPolarHBondContact O-CD2 3.22Å; C78-F82 PolarHBondContact O-N 3.38Å; C78-C89 HydrophobicContact CB-CB 3.94Å; C78-C89 WeakPolarHBondContact CB-SG 3.34Å; C78-C89 WeakPolarHBondContact SG-CB 3.48Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 3.18Å; C78-F150 HydrophobicContact CB-CE1 4.45Å; C78-Y183 HydrophobicContact CB-CE1 3.97Å; C78-I187 HydrophobicContact CB-CG2 4.1Å
79	Q	88.9	Confident	89.5	Confident	50 Å²	50	37.7 Å²	37.7	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-39.7	173.6	-71.5	173.3	-32.6	0	0	111.7	L75 K76 A83 C89 D94	L75-Q79 HydrophobicContact CD1-CG 4.11Å; L75-Q79 PolarHBondContact O-N 3.25Å; K76-Q79 PolarHBondContact O-N 3.46Å; Q79-A83 WeakPolarHBondContact O-CA 3.12Å; Q79-A83 WeakPolarHBondContact O-CB 3.46Å; Q79-A83 PolarHBondContact O-N 3.35Å; Q79-C89 HydrophobicContact CG-CB 4.42Å; Q79-C89 VanDerWaalsContact CG-O 3.29Å; Q79-C89 WeakPolarHBondContact CG-O 3.04Å; Q79-D94 PolarHBondContact NE2-OD1 2.83Å; Q79-D94 VanDerWaalsContact NE2-OD1 3.15Å; Q79-D94 PolarHBondContact NE2-OD2 3.13Å
80	T	90.8	Very high	88.9	Confident	73 Å²	73	33.2 Å²	33.2	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-65.1	-50.8	178.2	-57.4	0	0	0	0	111.6	K76 E77 C78 F82 A83	K76-T80 WeakPolarHBondContact O-CB 3.05Å; K76-T80 PolarHBondContact O-N 2.68Å; K76-T80 PolarHBondContact O-OG1 2.87Å; E77-T80 WeakPolarHBondContact O-CB 3.32Å; E77-T80 PolarHBondContact O-N 2.96Å; E77-T80 VanDerWaalsContact O-N 3.17Å; C78-T80 VanDerWaalsContact C-N 3.25Å; C78-T80 PolarHBondContact O-N 3.17Å; T80-F82 VanDerWaalsContact C-N 3.28Å; T80-F82 PolarHBondContact O-N 3.36Å; T80-A83 PolarHBondContact O-N 2.86Å
81	Q	93.7	Very high	87.7	Confident	33 Å²	33	33.3 Å²	33.3	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-26.6	-177.5	-65.8	-64.6	-27.3	0	0	113.2	E77 C78 Y183 H307 S314	E77-Q81 HydrophobicContact CG-CG 4.3Å; E77-Q81 VanDerWaalsContact O-CG 3.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.23Å; E77-Q81 PolarHBondContact O-N 3.14Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.5Å; E77-Q81 PolarHBondContact OE1-NE2 2.69Å; C78-Q81 PolarHBondContact O-N 2.8Å; Q81-Y183 WeakPolarHBondContact CG-OH 3.39Å; Q81-H307 PolarHBondContact NE2-CE1 3.2Å; Q81-H307 PolarHBondContact NE2-ND1 3.43Å; Q81-S314 WeakPolarHBondContact CB-OG 3.34Å; Q81-S314 WeakPolarHBondContact CG-OG 3.31Å; Q81-S314 PolarHBondContact OE1-OG 2.69Å
82	F	92.3	Very high	86.3	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-103.7	-1.8	-177.8	-76.6	-103.5	0	0	0	114.1	C78 T80 G84 R85 W87 N88 C89 Y183 F317	C78-F82 WeakPolarHBondContact O-CB 3.2Å; C78-F82 WeakPolarHBondContact O-CD2 3.22Å; C78-F82 PolarHBondContact O-N 3.38Å; T80-F82 VanDerWaalsContact C-N 3.28Å; T80-F82 PolarHBondContact O-N 3.36Å; F82-G84 PolarHBondContact O-N 3.03Å; F82-R85 HydrophobicContact CD1-CB 4.07Å; F82-R85 VanDerWaalsContact CD1-CD 3.47Å; F82-R85 HydrophobicContact CD1-CG 4.37Å; F82-R85 PolarHBondContact O-N 2.94Å; F82-W87 WeakPolarHBondContact CB-O 2.95Å; F82-W87 AromaticContact CD1-CE3 3.45Å; F82-W87 HydrophobicContact CD1-CE3 3.45Å; F82-W87 VanDerWaalsContact CD1-CE3 3.45Å; F82-W87 AromaticContact CD1-CZ3 3.86Å; F82-W87 HydrophobicContact CD1-CZ3 3.86Å; F82-W87 WeakPolarHBondContact CD1-O 3.2Å; F82-W87 AromaticContact CE1-CE3 3.71Å; F82-W87 HydrophobicContact CE1-CE3 3.71Å; F82-W87 AromaticContact CE1-CZ3 3.93Å; F82-W87 HydrophobicContact CE1-CZ3 3.93Å; F82-W87 HydrophobicContact CG-CE3 4.09Å; F82-W87 HydrophobicContact CG-CZ3 4.17Å; F82-W87 HydrophobicContact CZ-CZ3 4.35Å; F82-N88 WeakPolarHBondContact O-CA 3.39Å; F82-C89 HydrophobicContact CB-CB 4.03Å; F82-C89 HydrophobicContact CG-CB 4.47Å; F82-Y183 HydrophobicContact CD2-CD1 4.18Å; F82-Y183 HydrophobicContact CD2-CE1 4.04Å; F82-Y183 AromaticContact CE2-CD1 3.38Å; F82-Y183 HydrophobicContact CE2-CD1 3.38Å; F82-Y183 AromaticContact CE2-CD2 3.83Å; F82-Y183 HydrophobicContact CE2-CD2 3.83Å; F82-Y183 AromaticContact CE2-CE1 3.51Å; F82-Y183 HydrophobicContact CE2-CE1 3.51Å; F82-Y183 AromaticContact CE2-CE2 3.92Å; F82-Y183 HydrophobicContact CE2-CE2 3.92Å; F82-Y183 AromaticContact CE2-CG 3.56Å; F82-Y183 HydrophobicContact CE2-CG 3.56Å; F82-Y183 AromaticContact CE2-CZ 3.78Å; F82-Y183 AromaticContact CZ-CD1 3.98Å; F82-Y183 HydrophobicContact CZ-CD1 3.98Å; F82-Y183 HydrophobicContact CZ-CD2 4.13Å; F82-Y183 AromaticContact CZ-CG 3.78Å; F82-Y183 HydrophobicContact CZ-CG 3.78Å; F82-F317 HydrophobicContact CE1-CD1 4.15Å; F82-F317 HydrophobicContact CE1-CD2 4.2Å; F82-F317 AromaticContact CE1-CE1 3.75Å; F82-F317 HydrophobicContact CE1-CE1 3.75Å; F82-F317 AromaticContact CE1-CE2 3.75Å; F82-F317 HydrophobicContact CE1-CE2 3.75Å; F82-F317 HydrophobicContact CE1-CG 4.37Å; F82-F317 AromaticContact CE1-CZ 3.54Å; F82-F317 HydrophobicContact CE1-CZ 3.54Å; F82-F317 AromaticContact CZ-CD1 3.88Å; F82-F317 HydrophobicContact CZ-CD1 3.88Å; F82-F317 AromaticContact CZ-CD2 3.74Å; F82-F317 HydrophobicContact CZ-CD2 3.74Å; F82-F317 AromaticContact CZ-CE1 3.97Å; F82-F317 HydrophobicContact CZ-CE1 3.97Å; F82-F317 AromaticContact CZ-CE2 3.79Å; F82-F317 HydrophobicContact CZ-CE2 3.79Å; F82-F317 AromaticContact CZ-CG 3.78Å; F82-F317 HydrophobicContact CZ-CG 3.78Å; F82-F317 AromaticContact CZ-CZ 3.93Å; F82-F317 HydrophobicContact CZ-CZ 3.93Å
83	A	89.6	Confident	84.7	Confident	62 Å²	62	33.7 Å²	33.7	51%	0.512	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-34.6	-179	0	0	0	0	0	113.6	Q79 T80 R371	Q79-A83 WeakPolarHBondContact O-CA 3.12Å; Q79-A83 WeakPolarHBondContact O-CB 3.46Å; Q79-A83 PolarHBondContact O-N 3.35Å; T80-A83 PolarHBondContact O-N 2.86Å; A83-R371 PolarHBondContact O-NH2 3.47Å
84	G	89	Confident	82.8	Confident	19 Å²	19	35.8 Å²	35.8	20%	0.196	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	28.3	176.3	0	0	0	0	0	114.3	F82 T380 N381	F82-G84 PolarHBondContact O-N 3.03Å; G84-T380 CarbonylContact O-C 3.48Å; G84-T380 WeakPolarHBondContact O-CB 3.35Å; G84-T380 PolarHBondContact O-OG1 2.71Å; G84-N381 WeakPolarHBondContact O-CA 3.38Å; G84-N381 PolarHBondContact O-N 3.14Å
85	R	92.5	Very high	80.4	Confident	34 Å²	34	37.6 Å²	37.6	13%	0.128	20%	0.202	C	C	.	.	S	Bend	trans	-122	156.6	177	-69.4	176.8	176.7	-95.8	5	110.7	F82 W87 D318 R371 T380	F82-R85 HydrophobicContact CD1-CB 4.07Å; F82-R85 VanDerWaalsContact CD1-CD 3.47Å; F82-R85 HydrophobicContact CD1-CG 4.37Å; F82-R85 PolarHBondContact O-N 2.94Å; R85-W87 CarbonylContact C-O 3.57Å; R85-W87 WeakPolarHBondContact CB-O 3.45Å; R85-W87 CarbonylContact O-C 3.51Å; R85-W87 PolarHBondContact O-N 3.11Å; R85-W87 VanDerWaalsContact O-N 3.14Å; R85-W87 VanDerWaalsContact O-O 3.14Å; R85-D318 IonicContact CZ-OD1 2.75Å; R85-D318 IonicContact CZ-OD2 2.71Å; R85-D318 IonicContact NH1-OD1 3.55Å; R85-D318 PolarHBondContact NH1-OD1 3.13Å; R85-D318 IonicContact NH1-OD2 4Å; R85-D318 IonicContact NH2-OD1 2.9Å; R85-D318 PolarHBondContact NH2-OD1 3.41Å; R85-D318 VanDerWaalsContact NH2-OD1 3.13Å; R85-D318 IonicContact NH2-OD2 3.8Å; R85-D318 PolarHBondContact NH2-OD2 3.24Å; R85-R371 PolarHBondContact O-NH1 3.48Å; R85-R371 PolarHBondContact O-NH2 3.31Å; R85-T380 HydrophobicContact CG-CG2 4.28Å; R85-T380 WeakPolarHBondContact CG-OG1 3.49Å
86	L	91.6	Very high	78	Confident	63 Å²	63	41 Å²	41	33%	0.33	23%	0.227	S	C	.	.	S	Bend	trans	-49.7	-43.7	-178.1	-66	175.6	0	0	0	113.2	F356 T368 R371 L386 C388	L86-F356 HydrophobicContact CB-CB 3.88Å; L86-F356 HydrophobicContact CB-CD2 4.43Å; L86-T368 HydrophobicContact CD2-CG2 3.83Å; L86-R371 PolarHBondContact O-NH1 3.38Å; L86-L386 HydrophobicContact CD2-CD1 4.37Å; L86-C388 VanDerWaalsContact CD2-SG 3.53Å
87	W	89	Confident	75.8	Confident	15 Å²	15	37.3 Å²	37.3	6%	0.057	21%	0.214	C	C	.	.	S	Bend	trans	-94.1	133.6	163.2	-179.6	68.8	0	0	0	109.8	F82 R85 C89 F150 E180 V184 F356	F82-W87 WeakPolarHBondContact CB-O 2.95Å; F82-W87 AromaticContact CD1-CE3 3.45Å; F82-W87 HydrophobicContact CD1-CE3 3.45Å; F82-W87 VanDerWaalsContact CD1-CE3 3.45Å; F82-W87 AromaticContact CD1-CZ3 3.86Å; F82-W87 HydrophobicContact CD1-CZ3 3.86Å; F82-W87 WeakPolarHBondContact CD1-O 3.2Å; F82-W87 AromaticContact CE1-CE3 3.71Å; F82-W87 HydrophobicContact CE1-CE3 3.71Å; F82-W87 AromaticContact CE1-CZ3 3.93Å; F82-W87 HydrophobicContact CE1-CZ3 3.93Å; F82-W87 HydrophobicContact CG-CE3 4.09Å; F82-W87 HydrophobicContact CG-CZ3 4.17Å; F82-W87 HydrophobicContact CZ-CZ3 4.35Å; R85-W87 CarbonylContact C-O 3.57Å; R85-W87 WeakPolarHBondContact CB-O 3.45Å; R85-W87 CarbonylContact O-C 3.51Å; R85-W87 PolarHBondContact O-N 3.11Å; R85-W87 VanDerWaalsContact O-N 3.14Å; R85-W87 VanDerWaalsContact O-O 3.14Å; W87-C89 HydrophobicContact CE3-CB 4.44Å; W87-C89 HydrophobicContact CH2-CB 3.74Å; W87-C89 VanDerWaalsContact CH2-SG 3.54Å; W87-C89 HydrophobicContact CZ2-CB 4.16Å; W87-C89 HydrophobicContact CZ3-CB 3.92Å; W87-F150 HydrophobicContact CZ2-CB 4.03Å; W87-E180 HydrophobicContact CB-CG 4.06Å; W87-E180 HydrophobicContact CD2-CB 3.87Å; W87-E180 HydrophobicContact CD2-CG 3.63Å; W87-E180 HydrophobicContact CE3-CB 3.53Å; W87-E180 HydrophobicContact CE3-CG 3.33Å; W87-E180 HydrophobicContact CG-CG 3.98Å; W87-E180 HydrophobicContact CH2-CB 4.11Å; W87-E180 HydrophobicContact CZ2-CB 4.37Å; W87-E180 HydrophobicContact CZ3-CB 3.68Å; W87-E180 HydrophobicContact CZ3-CG 3.99Å; W87-V184 HydrophobicContact CH2-CG2 3.45Å; W87-V184 VanDerWaalsContact CH2-CG2 3.45Å; W87-V184 HydrophobicContact CZ2-CG2 4.24Å; W87-V184 HydrophobicContact CZ3-CG2 4.33Å; W87-F356 HydrophobicContact CB-CD1 3.92Å; W87-F356 HydrophobicContact CB-CD2 3.89Å; W87-F356 HydrophobicContact CB-CE1 3.85Å; W87-F356 HydrophobicContact CB-CE2 3.8Å; W87-F356 HydrophobicContact CB-CG 3.93Å; W87-F356 HydrophobicContact CB-CZ 3.77Å; W87-F356 AromaticContact CD1-CE1 3.68Å; W87-F356 HydrophobicContact CG-CD1 4.31Å; W87-F356 AromaticContact CG-CE1 3.91Å; W87-F356 HydrophobicContact CG-CE1 3.91Å; W87-F356 HydrophobicContact CG-CZ 4Å
88	N	85.7	Confident	73.1	Confident	53 Å²	53	37.2 Å²	37.2	28%	0.283	22%	0.216	S	C	.	.			trans	-110.2	16.5	-171.9	67.6	-17.2	0	0	0	114.7	F82 S90	F82-N88 WeakPolarHBondContact O-CA 3.39Å; N88-S90 PolarHBondContact O-N 3.43Å; N88-S90 VanDerWaalsContact OD1-CB 3.27Å; N88-S90 WeakPolarHBondContact OD1-CB 3.32Å; N88-S90 PolarHBondContact OD1-N 3.36Å; N88-S90 PolarHBondContact OD1-OG 3.08Å
89	C	86.5	Confident	70.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.239	C	C	.	.			trans	54.6	34.1	-175.6	-158.4	0	0	0	0	114.1	C78 Q79 F82 W87 F150	C78-C89 HydrophobicContact CB-CB 3.94Å; C78-C89 WeakPolarHBondContact CB-SG 3.34Å; C78-C89 WeakPolarHBondContact SG-CB 3.48Å; C78-C89 CovalentContact SG-SG 2.02Å; C78-C89 PolarHBondContact SG-SG 3.18Å; Q79-C89 HydrophobicContact CG-CB 4.42Å; Q79-C89 VanDerWaalsContact CG-O 3.29Å; Q79-C89 WeakPolarHBondContact CG-O 3.04Å; F82-C89 HydrophobicContact CB-CB 4.03Å; F82-C89 HydrophobicContact CG-CB 4.47Å; W87-C89 HydrophobicContact CE3-CB 4.44Å; W87-C89 HydrophobicContact CH2-CB 3.74Å; W87-C89 VanDerWaalsContact CH2-SG 3.54Å; W87-C89 HydrophobicContact CZ2-CB 4.16Å; W87-C89 HydrophobicContact CZ3-CB 3.92Å; C89-F150 WeakPolarHBondContact SG-CD1 3.38Å; C89-F150 WeakPolarHBondContact SG-CE1 3.43Å
90	S	76.3	Confident	67.4	Low	6 Å²	6	44 Å²	44	4%	0.042	26%	0.259	C	S	.	.			trans	-59.3	148.1	174.1	54.7	0	0	0	0	112.1	N88 F150 Y366	N88-S90 PolarHBondContact O-N 3.43Å; N88-S90 VanDerWaalsContact OD1-CB 3.27Å; N88-S90 WeakPolarHBondContact OD1-CB 3.32Å; N88-S90 PolarHBondContact OD1-N 3.36Å; N88-S90 PolarHBondContact OD1-OG 3.08Å; S90-F150 CarbonylContact O-C 3.44Å; S90-F150 VanDerWaalsContact O-CA 3.26Å; S90-F150 WeakPolarHBondContact O-CA 3.39Å; S90-Y366 WeakPolarHBondContact OG-CD2 3.35Å; S90-Y366 VanDerWaalsContact OG-CE2 3.31Å; S90-Y366 WeakPolarHBondContact OG-CE2 3.49Å
91	T	66.7	Low	64.9	Low	2 Å²	2	42.2 Å²	42.2	1%	0.012	25%	0.248	C	C	.	.			trans	-121.9	167.5	171.3	64.2	0	0	0	0	111.8	L75 F93 D94 L149 F150 G151	L75-T91 HydrophobicContact CD1-CG2 3.27Å; L75-T91 HydrophobicContact CD2-CG2 4.07Å; L75-T91 HydrophobicContact CG-CG2 4.33Å; T91-F93 PolarHBondContact O-N 3.1Å; T91-F93 VanDerWaalsContact O-N 3.16Å; T91-D94 PolarHBondContact N-OD2 3.1Å; T91-D94 PolarHBondContact O-N 3.07Å; T91-D94 PolarHBondContact OG1-OD2 2.64Å; T91-L149 WeakPolarHBondContact CB-O 2.95Å; T91-F150 HydrophobicContact CG2-CD1 3.75Å; T91-F150 HydrophobicContact CG2-CE1 4.21Å; T91-F150 HydrophobicContact CG2-CG 4.23Å; T91-G151 CarbonylContact C-O 3.41Å
92	F	56.7	Low	62.1	Low	9 Å²	9	43.3 Å²	43.3	4%	0.039	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58	-29	175.5	-64.1	-72.3	0	0	0	112.8	T95 F143 D148 L149 G151 G152 I153 L172	F92-T95 PolarHBondContact O-OG1 2.98Å; F92-F143 AromaticContact CD2-CE1 3.85Å; F92-F143 HydrophobicContact CD2-CE1 3.85Å; F92-F143 AromaticContact CD2-CZ 3.68Å; F92-F143 HydrophobicContact CD2-CZ 3.68Å; F92-F143 HydrophobicContact CE2-CD1 4.02Å; F92-F143 AromaticContact CE2-CE1 3.11Å; F92-F143 HydrophobicContact CE2-CE1 3.11Å; F92-F143 AromaticContact CE2-CZ 3.45Å; F92-F143 HydrophobicContact CE2-CZ 3.45Å; F92-F143 VanDerWaalsContact CE2-CZ 3.45Å; F92-F143 HydrophobicContact CG-CZ 4.48Å; F92-F143 AromaticContact CZ-CE1 3.65Å; F92-F143 HydrophobicContact CZ-CE1 3.65Å; F92-F143 HydrophobicContact CZ-CZ 4.19Å; F92-D148 WeakPolarHBondContact CE2-O 3.27Å; F92-D148 VanDerWaalsContact CZ-O 3.31Å; F92-D148 WeakPolarHBondContact CZ-O 3.48Å; F92-L149 WeakPolarHBondContact CD2-O 3.37Å; F92-G151 WeakPolarHBondContact CA-O 3.42Å; F92-G151 WeakPolarHBondContact CD1-O 3.43Å; F92-G151 WeakPolarHBondContact CD2-O 3.12Å; F92-G151 VanDerWaalsContact CE1-C 3.41Å; F92-G151 WeakPolarHBondContact CE1-O 3.45Å; F92-G151 WeakPolarHBondContact CE2-O 3.25Å; F92-G151 WeakPolarHBondContact CG-O 3.42Å; F92-G151 WeakPolarHBondContact CZ-O 3.33Å; F92-G151 PolarHBondContact N-O 3.41Å; F92-G152 WeakPolarHBondContact CD1-O 3.1Å; F92-G152 WeakPolarHBondContact CE1-O 3.18Å; F92-I153 HydrophobicContact CB-CD1 4.18Å; F92-I153 HydrophobicContact CB-CG1 3.65Å; F92-I153 HydrophobicContact CD1-CB 4.27Å; F92-I153 HydrophobicContact CD1-CG1 3.55Å; F92-I153 VanDerWaalsContact CD1-N 3.35Å; F92-I153 HydrophobicContact CG-CG1 4.05Å; F92-I153 VanDerWaalsContact O-CD1 3.3Å; F92-I153 WeakPolarHBondContact O-CD1 2.94Å; F92-L172 HydrophobicContact CE1-CB 3.99Å; F92-L172 HydrophobicContact CE1-CD1 3.71Å; F92-L172 HydrophobicContact CZ-CB 3.8Å; F92-L172 HydrophobicContact CZ-CD1 4.34Å
93	F	51.7	Low	59.2	Low	50 Å²	50	46 Å²	46	22%	0.219	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-81.6	-12.5	-173.9	-48.4	-78.5	0	0	0	114.3	L22 T25 T91 T95 A98 L149	L22-F93 HydrophobicContact CD1-CZ 4.34Å; T25-F93 HydrophobicContact CG2-CD1 3.91Å; T25-F93 HydrophobicContact CG2-CD2 3.74Å; T25-F93 HydrophobicContact CG2-CE1 3.45Å; T25-F93 VanDerWaalsContact CG2-CE1 3.45Å; T25-F93 HydrophobicContact CG2-CE2 3.29Å; T25-F93 HydrophobicContact CG2-CG 4.05Å; T25-F93 HydrophobicContact CG2-CZ 3.12Å; T91-F93 PolarHBondContact O-N 3.1Å; T91-F93 VanDerWaalsContact O-N 3.16Å; F93-T95 PolarHBondContact O-N 3Å; F93-A98 HydrophobicContact CB-CB 3.88Å; F93-A98 HydrophobicContact CD1-CB 4.02Å; F93-A98 HydrophobicContact CG-CB 4.46Å; F93-A98 WeakPolarHBondContact O-CB 3.31Å; F93-L149 HydrophobicContact CE2-CD1 3.52Å; F93-L149 HydrophobicContact CE2-CG 4.09Å; F93-L149 HydrophobicContact CZ-CD1 3.98Å
94	D	48.1	Very low	56.8	Low	94 Å²	94	44 Å²	44	50%	0.503	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-68.9	-16.1	177.3	-67.1	-40	0	0	0	111.9	Q79 T91	Q79-D94 PolarHBondContact NE2-OD1 2.83Å; Q79-D94 VanDerWaalsContact NE2-OD1 3.15Å; Q79-D94 PolarHBondContact NE2-OD2 3.13Å; T91-D94 PolarHBondContact N-OD2 3.1Å; T91-D94 PolarHBondContact O-N 3.07Å; T91-D94 PolarHBondContact OG1-OD2 2.64Å
95	T	42.6	Very low	54.4	Low	39 Å²	39	43.9 Å²	43.9	24%	0.239	26%	0.258	C	S	.	.	S	Bend	trans	-86.3	137.9	175.3	59.9	0	0	0	0	111.2	F92 F93 I97 A98	F92-T95 PolarHBondContact O-OG1 2.98Å; F93-T95 PolarHBondContact O-N 3Å; T95-I97 PolarHBondContact O-N 2.88Å; T95-A98 PolarHBondContact O-N 3.35Å
96	S	35	Very low	51.8	Low	92 Å²	92	46.6 Å²	46.6	64%	0.643	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-10.1	-176.5	50.9	0	0	0	0	117.1	A98 S99	S96-A98 VanDerWaalsContact C-N 3.33Å; S96-S99 WeakPolarHBondContact O-CB 3.04Å; S96-S99 PolarHBondContact O-N 2.84Å; S96-S99 PolarHBondContact O-OG 3.24Å
97	I	37.6	Very low	49.5	Very low	69 Å²	69	50.4 Å²	50.4	35%	0.354	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-33	171.9	-60.9	172.6	0	0	0	111.1	T95 S99 L100 P101 I153	T95-I97 PolarHBondContact O-N 2.88Å; I97-S99 VanDerWaalsContact C-N 3.31Å; I97-L100 PolarHBondContact O-N 3.33Å; I97-P101 WeakPolarHBondContact O-CD 3.24Å; I97-I153 HydrophobicContact CD1-CG2 4.24Å
98	A	37.8	Very low	47.3	Very low	17 Å²	17	50.3 Å²	50.3	14%	0.14	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.8	175.2	0	0	0	0	0	113.3	F93 T95 S96 L100 P101 V102	F93-A98 HydrophobicContact CB-CB 3.88Å; F93-A98 HydrophobicContact CD1-CB 4.02Å; F93-A98 HydrophobicContact CG-CB 4.46Å; F93-A98 WeakPolarHBondContact O-CB 3.31Å; T95-A98 PolarHBondContact O-N 3.35Å; S96-A98 VanDerWaalsContact C-N 3.33Å; A98-L100 VanDerWaalsContact C-N 3.29Å; A98-P101 WeakPolarHBondContact O-CD 3.32Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å
99	S	31.1	Very low	45.4	Very low	68 Å²	68	51.4 Å²	51.4	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-71	-25	172.2	-40.4	0	0	0	0	112.5	S96 I97 V102 A103	S96-S99 WeakPolarHBondContact O-CB 3.04Å; S96-S99 PolarHBondContact O-N 2.84Å; S96-S99 PolarHBondContact O-OG 3.24Å; I97-S99 VanDerWaalsContact C-N 3.31Å; S99-V102 PolarHBondContact O-N 3.25Å; S99-A103 PolarHBondContact O-N 2.86Å; S99-A103 VanDerWaalsContact O-N 3.1Å
100	L	31	Very low	43.6	Very low	125 Å²	125	55.7 Å²	55.7	65%	0.654	32%	0.321	S	S	*	.	H	α-helix	trans	-65	-45.5	179.8	-70.8	170.2	0	0	0	112.3	I97 A98 A104	I97-L100 PolarHBondContact O-N 3.33Å; A98-L100 VanDerWaalsContact C-N 3.29Å; L100-A104 PolarHBondContact O-N 2.79Å
101	P	37.6	Very low	42.1	Very low	34 Å²	34	58.6 Å²	58.6	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-41	167.8	-23	29.1	0	0	0	113	I97 A98 A103 A104 I105	I97-P101 WeakPolarHBondContact O-CD 3.24Å; A98-P101 WeakPolarHBondContact O-CD 3.32Å; P101-A103 PolarHBondContact O-N 2.85Å; P101-A104 CarbonylContact O-C 3.47Å; P101-A104 PolarHBondContact O-N 3.26Å; P101-A104 VanDerWaalsContact O-N 3.14Å; P101-I105 HydrophobicContact CB-CD1 3.79Å; P101-I105 VanDerWaalsContact O-CB 3.29Å; P101-I105 WeakPolarHBondContact O-CB 3.42Å; P101-I105 WeakPolarHBondContact O-CD1 3.39Å; P101-I105 WeakPolarHBondContact O-CG1 3.35Å; P101-I105 PolarHBondContact O-N 3.47Å
102	V	35	Very low	41.1	Very low	56 Å²	56	64.4 Å²	64.4	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-44.9	-173.4	172.8	0	0	0	0	112.1	T27 A98 S99 A104 I105 S106	T27-V102 HydrophobicContact CG2-CG2 3.98Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; S99-V102 PolarHBondContact O-N 3.25Å; V102-A104 VanDerWaalsContact C-N 3.3Å; V102-A104 PolarHBondContact O-N 3.28Å; V102-I105 PolarHBondContact O-N 2.91Å; V102-S106 PolarHBondContact O-N 2.85Å; V102-S106 VanDerWaalsContact O-N 3.07Å; V102-S106 PolarHBondContact O-OG 3.3Å
103	A	31.9	Very low	40.7	Very low	59 Å²	59	68.2 Å²	68.2	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-31.3	177	0	0	0	0	0	112.7	S99 P101 S106 Q107	S99-A103 PolarHBondContact O-N 2.86Å; S99-A103 VanDerWaalsContact O-N 3.1Å; P101-A103 PolarHBondContact O-N 2.85Å; A103-S106 PolarHBondContact O-OG 2.98Å; A103-Q107 WeakPolarHBondContact O-CG 3.34Å
104	A	38.6	Very low	40.7	Very low	19 Å²	19	68.1 Å²	68.1	16%	0.157	41%	0.411	C	S	.	.	H	α-helix	trans	-77.6	-39.3	176.3	0	0	0	0	0	112.5	L100 P101 V102 Q107 V131	L100-A104 PolarHBondContact O-N 2.79Å; P101-A104 CarbonylContact O-C 3.47Å; P101-A104 PolarHBondContact O-N 3.26Å; P101-A104 VanDerWaalsContact O-N 3.14Å; V102-A104 VanDerWaalsContact C-N 3.3Å; V102-A104 PolarHBondContact O-N 3.28Å; A104-Q107 PolarHBondContact O-N 2.87Å; A104-V131 HydrophobicContact CB-CG2 4.19Å
105	I	40	Very low	40.8	Very low	18 Å²	18	76.7 Å²	76.7	9%	0.092	44%	0.437	C	S	.	.	H	α-helix	trans	-68.5	-40.8	-179.5	-69	161.8	0	0	0	110.7	T27 P101 V102 Q107 I108 V131	T27-I105 HydrophobicContact CG2-CD1 3.6Å; P101-I105 HydrophobicContact CB-CD1 3.79Å; P101-I105 VanDerWaalsContact O-CB 3.29Å; P101-I105 WeakPolarHBondContact O-CB 3.42Å; P101-I105 WeakPolarHBondContact O-CD1 3.39Å; P101-I105 WeakPolarHBondContact O-CG1 3.35Å; P101-I105 PolarHBondContact O-N 3.47Å; V102-I105 PolarHBondContact O-N 2.91Å; I105-Q107 PolarHBondContact O-N 3.48Å; I105-I108 PolarHBondContact O-N 3.19Å; I105-I108 VanDerWaalsContact O-N 3.07Å; I105-V131 HydrophobicContact CG1-CG1 3.93Å
106	S	37.4	Very low	41.3	Very low	90 Å²	90	77.2 Å²	77.2	63%	0.629	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.1	178.7	62	0	0	0	0	114	V102 A103	V102-S106 PolarHBondContact O-N 2.85Å; V102-S106 VanDerWaalsContact O-N 3.07Å; V102-S106 PolarHBondContact O-OG 3.3Å; A103-S106 PolarHBondContact O-OG 2.98Å
107	Q	42.4	Very low	42.9	Very low	143 Å²	143	78.9 Å²	78.9	67%	0.668	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.3	175.5	-68.4	-176.8	-1.9	0	0	113.3	A103 A104 I105 D109 L127	A103-Q107 WeakPolarHBondContact O-CG 3.34Å; A104-Q107 PolarHBondContact O-N 2.87Å; I105-Q107 PolarHBondContact O-N 3.48Å; Q107-D109 PolarHBondContact O-N 2.87Å; Q107-L127 HydrophobicContact CB-CD2 4.2Å
108	I	43.4	Very low	44.7	Very low	14 Å²	14	84.3 Å²	84.3	7%	0.072	47%	0.465	C	S	.	.			trans	-89.7	111.2	-179.6	-60.3	172.5	0	0	0	109.1	I105 Y110 L127 R128 V131	I105-I108 PolarHBondContact O-N 3.19Å; I105-I108 VanDerWaalsContact O-N 3.07Å; I108-Y110 HydrophobicContact CB-CD2 4.14Å; I108-Y110 HydrophobicContact CB-CE2 3.55Å; I108-Y110 HydrophobicContact CG2-CD1 4.14Å; I108-Y110 HydrophobicContact CG2-CD2 3.76Å; I108-Y110 HydrophobicContact CG2-CE1 3.81Å; I108-Y110 HydrophobicContact CG2-CE2 3.42Å; I108-Y110 VanDerWaalsContact CG2-CE2 3.42Å; I108-Y110 HydrophobicContact CG2-CG 4.13Å; I108-Y110 VanDerWaalsContact CG2-CZ 3.45Å; I108-Y110 WeakPolarHBondContact O-CD2 3.26Å; I108-Y110 WeakPolarHBondContact O-CE2 3.16Å; I108-Y110 PolarHBondContact O-N 3.25Å; I108-L127 HydrophobicContact CD1-CG 4.21Å; I108-L127 HydrophobicContact CG1-CD2 3.67Å; I108-L127 HydrophobicContact CG1-CG 3.82Å; I108-R128 HydrophobicContact CG2-CG 3.61Å; I108-V131 HydrophobicContact CD1-CB 3.8Å; I108-V131 HydrophobicContact CD1-CG1 4.11Å; I108-V131 HydrophobicContact CD1-CG2 3.56Å
109	D	46	Very low	46.2	Very low	75 Å²	75	87.2 Å²	87.2	40%	0.401	48%	0.484	S	S	.	.			trans	-72	117.2	163.9	-175.7	3.2	0	0	0	108.9	Q107 S111 R128	Q107-D109 PolarHBondContact O-N 2.87Å; D109-S111 WeakPolarHBondContact OD1-CB 3.36Å; D109-S111 PolarHBondContact OD1-N 3.23Å; D109-S111 PolarHBondContact OD1-OG 2.74Å; D109-R128 PolarHBondContact O-NH2 3.45Å
110	Y	48.6	Very low	47.9	Very low	91 Å²	91	87 Å²	87	36%	0.357	48%	0.479	S	S	.	.			trans	-96	0.4	178.8	-72.3	-86.9	0	0	0	113.2	Q34 I108	Q34-Y110 VanDerWaalsContact NE2-CE2 3.3Å; I108-Y110 HydrophobicContact CB-CD2 4.14Å; I108-Y110 HydrophobicContact CB-CE2 3.55Å; I108-Y110 HydrophobicContact CG2-CD1 4.14Å; I108-Y110 HydrophobicContact CG2-CD2 3.76Å; I108-Y110 HydrophobicContact CG2-CE1 3.81Å; I108-Y110 HydrophobicContact CG2-CE2 3.42Å; I108-Y110 VanDerWaalsContact CG2-CE2 3.42Å; I108-Y110 HydrophobicContact CG2-CG 4.13Å; I108-Y110 VanDerWaalsContact CG2-CZ 3.45Å; I108-Y110 WeakPolarHBondContact O-CD2 3.26Å; I108-Y110 WeakPolarHBondContact O-CE2 3.16Å; I108-Y110 PolarHBondContact O-N 3.25Å
111	S	45.7	Very low	49.6	Very low	66 Å²	66	83.6 Å²	83.6	46%	0.462	46%	0.461	S	S	.	.	S	Bend	trans	-57.3	150	176.6	-51.1	0	0	0	0	110.7	D109 M113	D109-S111 WeakPolarHBondContact OD1-CB 3.36Å; D109-S111 PolarHBondContact OD1-N 3.23Å; D109-S111 PolarHBondContact OD1-OG 2.74Å; S111-M113 PolarHBondContact O-N 3.37Å
112	P	45.5	Very low	51.2	Low	125 Å²	125	88.3 Å²	88.3	81%	0.812	48%	0.483	S	S	*	.			trans	-51.7	130.8	169.5	-21.2	30.9	0	0	0	108.9	G114	P112-G114 PolarHBondContact O-N 3.01Å
113	M	47.8	Very low	52.6	Low	89 Å²	89	93.5 Å²	93.5	44%	0.438	50%	0.501	S	S	.	.			trans	-57.1	99.7	-178	-77	-178.4	-177.4	0	0	109.5	S111 Q121	S111-M113 PolarHBondContact O-N 3.37Å; M113-Q121 HydrophobicContact CE-CB 4.47Å; M113-Q121 HydrophobicContact CG-CG 4.47Å; M113-Q121 HydrophobicContact SD-CB 4.25Å; M113-Q121 HydrophobicContact SD-CG 3.95Å
114	G	51.1	Low	53.9	Low	48 Å²	48	92.5 Å²	92.5	50%	0.495	49%	0.486	S	S	.	.			trans	-65.3	-178.8	168.4	0	0	0	0	0	110.8	P112 S116	P112-G114 PolarHBondContact O-N 3.01Å; G114-S116 PolarHBondContact O-N 2.88Å
115	R	51.4	Low	55.2	Low	273 Å²	273	93.6 Å²	93.6	100%	1.03	50%	0.495	S	S	*	.	S	Bend	trans	-71.6	54	179.7	-138.1	-179.4	-158.1	172.8	4.5	111.8
116	S	51.8	Low	56.1	Low	51 Å²	51	100.1 Å²	100.1	36%	0.357	52%	0.523	S	S	.	.			trans	-91.2	155.4	174.3	69.8	0	0	0	0	111.3	G114	G114-S116 PolarHBondContact O-N 2.88Å
117	N	69.3	Low	56.8	Low	126 Å²	126	98.2 Å²	98.2	67%	0.674	51%	0.506	S	S	*	.			trans	-56.4	142.4	-179.7	-81.7	-18.5	0	0	0	113.8	S119 V120 Q121	N117-S119 PolarHBondContact O-N 3.35Å; N117-V120 WeakPolarHBondContact O-CB 3.45Å; N117-V120 PolarHBondContact O-N 3.17Å; N117-Q121 PolarHBondContact O-N 2.96Å
118	K	75	Confident	57.3	Low	183 Å²	183	94.3 Å²	94.3	80%	0.796	49%	0.485	S	S	*	.	H	α-helix	trans	-53.3	-30.3	-177.3	-141.5	171.7	-172.8	176.4	0	113.8	L122	K118-L122 WeakPolarHBondContact O-CB 3.33Å; K118-L122 PolarHBondContact O-N 3.49Å
119	S	70.6	Confident	57.7	Low	78 Å²	78	100.3 Å²	100.3	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-70.2	-35.9	177.3	61.3	0	0	0	0	113.3	N117 K123	N117-S119 PolarHBondContact O-N 3.35Å; S119-K123 WeakPolarHBondContact O-CG 3.38Å; S119-K123 PolarHBondContact O-N 3.36Å; S119-K123 VanDerWaalsContact O-N 3.15Å
120	V	66.3	Low	57.7	Low	63 Å²	63	99.3 Å²	99.3	38%	0.382	51%	0.509	S	S	.	.	H	α-helix	trans	-71	-44	176.2	179.3	0	0	0	0	109.6	N117 L122 K123 Q124	N117-V120 WeakPolarHBondContact O-CB 3.45Å; N117-V120 PolarHBondContact O-N 3.17Å; V120-L122 PolarHBondContact O-N 3.35Å; V120-K123 PolarHBondContact O-N 3.21Å; V120-Q124 WeakPolarHBondContact O-CB 3.32Å; V120-Q124 PolarHBondContact O-N 3Å
121	Q	66.2	Low	57.6	Low	55 Å²	55	95.2 Å²	95.2	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-58.9	-44	175	-70	-179.3	-11.7	0	0	112.1	M113 N117 Q124 A125	M113-Q121 HydrophobicContact CE-CB 4.47Å; M113-Q121 HydrophobicContact CG-CG 4.47Å; M113-Q121 HydrophobicContact SD-CB 4.25Å; M113-Q121 HydrophobicContact SD-CG 3.95Å; N117-Q121 PolarHBondContact O-N 2.96Å; Q121-Q124 PolarHBondContact O-N 3.15Å; Q121-A125 VanDerWaalsContact O-CB 3.23Å; Q121-A125 WeakPolarHBondContact O-CB 3.23Å; Q121-A125 PolarHBondContact O-N 2.98Å
122	L	71.6	Confident	57.6	Low	132 Å²	132	98.2 Å²	98.2	69%	0.691	50%	0.5	S	S	*	.	H	α-helix	trans	-66.3	-40	179.2	-164.6	76	0	0	0	112.1	K118 V120 K126	K118-L122 WeakPolarHBondContact O-CB 3.33Å; K118-L122 PolarHBondContact O-N 3.49Å; V120-L122 PolarHBondContact O-N 3.35Å; L122-K126 VanDerWaalsContact O-CB 3.24Å; L122-K126 WeakPolarHBondContact O-CB 3.33Å; L122-K126 PolarHBondContact O-N 3.39Å
123	K	64.6	Low	57.5	Low	165 Å²	165	95.1 Å²	95.1	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-64.2	-45.7	175.1	-78.9	-177.5	178.5	-177.8	0	111.6	S119 V120 K126 L127	S119-K123 WeakPolarHBondContact O-CG 3.38Å; S119-K123 PolarHBondContact O-N 3.36Å; S119-K123 VanDerWaalsContact O-N 3.15Å; V120-K123 PolarHBondContact O-N 3.21Å; K123-K126 PolarHBondContact O-N 3.3Å; K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 PolarHBondContact O-N 2.78Å
124	Q	58.5	Low	57	Low	39 Å²	39	95.5 Å²	95.5	18%	0.182	48%	0.481	C	S	.	.	H	α-helix	trans	-65.1	-42.5	176.7	-77.2	177.3	-19.7	0	0	112	V120 Q121 L127 R128	V120-Q124 WeakPolarHBondContact O-CB 3.32Å; V120-Q124 PolarHBondContact O-N 3Å; Q121-Q124 PolarHBondContact O-N 3.15Å; Q124-L127 PolarHBondContact O-N 2.96Å; Q124-R128 WeakPolarHBondContact O-CB 3.49Å; Q124-R128 WeakPolarHBondContact O-CG 3.39Å; Q124-R128 PolarHBondContact O-N 3.08Å
125	A	65.1	Low	56.5	Low	41 Å²	41	98.7 Å²	98.7	34%	0.339	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-40.2	176.3	0	0	0	0	0	112	Q121 R128 K129	Q121-A125 VanDerWaalsContact O-CB 3.23Å; Q121-A125 WeakPolarHBondContact O-CB 3.23Å; Q121-A125 PolarHBondContact O-N 2.98Å; A125-R128 PolarHBondContact O-N 3.24Å; A125-K129 VanDerWaalsContact O-CB 3.31Å; A125-K129 WeakPolarHBondContact O-CB 3.33Å; A125-K129 PolarHBondContact O-N 3.38Å
126	K	59.5	Low	55.9	Low	155 Å²	155	89.6 Å²	89.6	67%	0.674	46%	0.462	S	S	*	.	H	α-helix	trans	-66.4	-40.6	175.5	-164.8	173.8	-175	178.5	0	111.4	L122 K123 K129 S130	L122-K126 VanDerWaalsContact O-CB 3.24Å; L122-K126 WeakPolarHBondContact O-CB 3.33Å; L122-K126 PolarHBondContact O-N 3.39Å; K123-K126 PolarHBondContact O-N 3.3Å; K126-K129 PolarHBondContact O-N 3.44Å; K126-S130 WeakPolarHBondContact O-CB 3.38Å; K126-S130 PolarHBondContact O-N 3.4Å; K126-S130 PolarHBondContact O-OG 3.09Å; K126-S130 VanDerWaalsContact O-OG 3.09Å
127	L	51.7	Low	55	Low	51 Å²	51	92.6 Å²	92.6	27%	0.267	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-44.9	175.1	-175.4	63.6	0	0	0	111.8	Q107 I108 K123 Q124 K129 S130 V131	Q107-L127 HydrophobicContact CB-CD2 4.2Å; I108-L127 HydrophobicContact CD1-CG 4.21Å; I108-L127 HydrophobicContact CG1-CD2 3.67Å; I108-L127 HydrophobicContact CG1-CG 3.82Å; K123-L127 WeakPolarHBondContact O-CB 3.43Å; K123-L127 PolarHBondContact O-N 2.78Å; Q124-L127 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 3.5Å; L127-S130 PolarHBondContact O-N 3.48Å; L127-V131 PolarHBondContact O-N 3.41Å
128	R	53.1	Low	53.4	Low	61 Å²	61	91.4 Å²	91.4	23%	0.23	47%	0.466	C	S	.	.	H	α-helix	trans	-55.6	-49.8	172.3	-79	-177.4	-173.4	178.8	5.1	110.9	I108 D109 Q124 A125 S130 V131 E132	I108-R128 HydrophobicContact CG2-CG 3.61Å; D109-R128 PolarHBondContact O-NH2 3.45Å; Q124-R128 WeakPolarHBondContact O-CB 3.49Å; Q124-R128 WeakPolarHBondContact O-CG 3.39Å; Q124-R128 PolarHBondContact O-N 3.08Å; A125-R128 PolarHBondContact O-N 3.24Å; R128-S130 VanDerWaalsContact C-N 3.35Å; R128-S130 PolarHBondContact O-N 3.19Å; R128-V131 PolarHBondContact O-N 2.8Å; R128-V131 VanDerWaalsContact O-N 3.17Å; R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.45Å; R128-E132 PolarHBondContact O-N 3.07Å
129	K	52.7	Low	51.4	Low	140 Å²	140	86.7 Å²	86.7	61%	0.609	45%	0.454	S	S	*	.	H	α-helix	trans	-63.3	-39	177.9	-164	171.6	-174.1	176.2	0	111.9	A125 K126 L127 E132 V133	A125-K129 VanDerWaalsContact O-CB 3.31Å; A125-K129 WeakPolarHBondContact O-CB 3.33Å; A125-K129 PolarHBondContact O-N 3.38Å; K126-K129 PolarHBondContact O-N 3.44Å; L127-K129 PolarHBondContact O-N 3.5Å; K129-E132 PolarHBondContact O-N 3.46Å; K129-V133 HydrophobicContact CG-CG2 4.4Å; K129-V133 WeakPolarHBondContact O-CB 3.44Å; K129-V133 WeakPolarHBondContact O-CG2 3.48Å; K129-V133 PolarHBondContact O-N 3.1Å
130	S	46.4	Very low	49.5	Very low	53 Å²	53	87.7 Å²	87.7	37%	0.371	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-35	174.2	-69.8	0	0	0	0	112.8	K126 L127 R128 M134	K126-S130 WeakPolarHBondContact O-CB 3.38Å; K126-S130 PolarHBondContact O-N 3.4Å; K126-S130 PolarHBondContact O-OG 3.09Å; K126-S130 VanDerWaalsContact O-OG 3.09Å; L127-S130 PolarHBondContact O-N 3.48Å; R128-S130 VanDerWaalsContact C-N 3.35Å; R128-S130 PolarHBondContact O-N 3.19Å; S130-M134 VanDerWaalsContact O-CB 3.28Å; S130-M134 WeakPolarHBondContact O-CB 3.38Å; S130-M134 WeakPolarHBondContact O-CE 3.45Å; S130-M134 VanDerWaalsContact O-CG 3.31Å; S130-M134 WeakPolarHBondContact O-CG 3.4Å; S130-M134 PolarHBondContact O-N 3.32Å
131	V	45.1	Very low	48.3	Very low	6 Å²	6	88.2 Å²	88.2	4%	0.036	46%	0.462	C	S	.	.	H	α-helix	trans	-75	-40.2	174.8	170	0	0	0	0	111.6	A104 I105 I108 L127 R128 M134 M135	A104-V131 HydrophobicContact CB-CG2 4.19Å; I105-V131 HydrophobicContact CG1-CG1 3.93Å; I108-V131 HydrophobicContact CD1-CB 3.8Å; I108-V131 HydrophobicContact CD1-CG1 4.11Å; I108-V131 HydrophobicContact CD1-CG2 3.56Å; L127-V131 PolarHBondContact O-N 3.41Å; R128-V131 PolarHBondContact O-N 2.8Å; R128-V131 VanDerWaalsContact O-N 3.17Å; V131-M134 HydrophobicContact CG2-CE 4.1Å; V131-M134 CarbonylContact O-C 3.06Å; V131-M134 PolarHBondContact O-N 2.88Å; V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.01Å; V131-M135 WeakPolarHBondContact O-CB 3.42Å; V131-M135 VanDerWaalsContact O-CG 3.23Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.89Å
132	E	45.8	Very low	47	Very low	128 Å²	128	89.1 Å²	89.1	60%	0.598	47%	0.466	S	S	*	.	H	α-helix	trans	-59.7	-46.8	170.5	-77.6	173.3	179.5	0	0	111	R128 K129 M135 S136	R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.45Å; R128-E132 PolarHBondContact O-N 3.07Å; K129-E132 PolarHBondContact O-N 3.46Å; E132-M135 CarbonylContact O-C 3.52Å; E132-M135 PolarHBondContact O-N 2.99Å; E132-S136 WeakPolarHBondContact O-CB 3.29Å; E132-S136 PolarHBondContact O-N 3.22Å; E132-S136 PolarHBondContact O-OG 3.45Å; E132-S136 VanDerWaalsContact O-OG 3.14Å
133	V	43.9	Very low	45.8	Very low	61 Å²	61	84.9 Å²	84.9	37%	0.37	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-42.5	174	171.4	0	0	0	0	110.2	K129 M135 S136 D137	K129-V133 HydrophobicContact CG-CG2 4.4Å; K129-V133 WeakPolarHBondContact O-CB 3.44Å; K129-V133 WeakPolarHBondContact O-CG2 3.48Å; K129-V133 PolarHBondContact O-N 3.1Å; V133-M135 VanDerWaalsContact C-N 3.33Å; V133-M135 PolarHBondContact O-N 3.44Å; V133-S136 VanDerWaalsContact CA-OG 3.28Å; V133-S136 WeakPolarHBondContact CA-OG 3.4Å; V133-S136 CarbonylContact O-C 3.59Å; V133-S136 PolarHBondContact O-N 3.11Å; V133-S136 PolarHBondContact O-OG 3.5Å; V133-D137 WeakPolarHBondContact CG1-OD2 3.45Å; V133-D137 WeakPolarHBondContact O-CA 3.36Å; V133-D137 WeakPolarHBondContact O-CB 3.44Å; V133-D137 PolarHBondContact O-N 3.27Å
134	M	38.3	Very low	44.9	Very low	97 Å²	97	82.1 Å²	82.1	48%	0.478	43%	0.432	S	S	.	.	H	α-helix	trans	-66.1	-32.8	174.2	-85.2	-175.3	-84.4	0	0	113.3	S130 V131 M138	S130-M134 VanDerWaalsContact O-CB 3.28Å; S130-M134 WeakPolarHBondContact O-CB 3.38Å; S130-M134 WeakPolarHBondContact O-CE 3.45Å; S130-M134 VanDerWaalsContact O-CG 3.31Å; S130-M134 WeakPolarHBondContact O-CG 3.4Å; S130-M134 PolarHBondContact O-N 3.32Å; V131-M134 HydrophobicContact CG2-CE 4.1Å; V131-M134 CarbonylContact O-C 3.06Å; V131-M134 PolarHBondContact O-N 2.88Å; M134-M138 WeakPolarHBondContact O-CB 3.45Å; M134-M138 PolarHBondContact O-N 2.82Å
135	M	40.6	Very low	44.5	Very low	115 Å²	115	81 Å²	81	57%	0.567	43%	0.428	S	S	*	.	H	α-helix	trans	-77.5	-27	175.4	-72.6	-179.8	68.1	0	0	112	V131 E132 V133	V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.01Å; V131-M135 WeakPolarHBondContact O-CB 3.42Å; V131-M135 VanDerWaalsContact O-CG 3.23Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.89Å; E132-M135 CarbonylContact O-C 3.52Å; E132-M135 PolarHBondContact O-N 2.99Å; V133-M135 VanDerWaalsContact C-N 3.33Å; V133-M135 PolarHBondContact O-N 3.44Å
136	S	37.5	Very low	43.7	Very low	82 Å²	82	79 Å²	79	57%	0.573	41%	0.411	S	S	*	.	H	α-helix	trans	-87.3	-31.3	174.4	68.9	0	0	0	0	113.4	E132 V133	E132-S136 WeakPolarHBondContact O-CB 3.29Å; E132-S136 PolarHBondContact O-N 3.22Å; E132-S136 PolarHBondContact O-OG 3.45Å; E132-S136 VanDerWaalsContact O-OG 3.14Å; V133-S136 VanDerWaalsContact CA-OG 3.28Å; V133-S136 WeakPolarHBondContact CA-OG 3.4Å; V133-S136 CarbonylContact O-C 3.59Å; V133-S136 PolarHBondContact O-N 3.11Å; V133-S136 PolarHBondContact O-OG 3.5Å
137	D	32.8	Very low	43.2	Very low	114 Å²	114	71.7 Å²	71.7	61%	0.61	38%	0.38	S	S	*	.	H	α-helix	trans	-89.7	-11.5	177.3	-69.8	-2.3	0	0	0	111.6	V133 P139	V133-D137 WeakPolarHBondContact CG1-OD2 3.45Å; V133-D137 WeakPolarHBondContact O-CA 3.36Å; V133-D137 WeakPolarHBondContact O-CB 3.44Å; V133-D137 PolarHBondContact O-N 3.27Å; D137-P139 WeakPolarHBondContact O-CD 3.31Å
138	M	35.5	Very low	43.1	Very low	100 Å²	100	69.4 Å²	69.4	49%	0.493	37%	0.367	S	S	.	.	S	Bend	trans	-53.6	110.7	152.3	-109.5	-169	169.2	0	0	104.2	M134 A140	M134-M138 WeakPolarHBondContact O-CB 3.45Å; M134-M138 PolarHBondContact O-N 2.82Å; M138-A140 PolarHBondContact O-N 3.15Å
139	P	32.6	Very low	43	Very low	85 Å²	85	66.7 Å²	66.7	55%	0.552	36%	0.357	S	S	*	.			trans	-53.5	124.4	177.1	20.4	-29.5	0	0	0	104.8	D137 R141	D137-P139 WeakPolarHBondContact O-CD 3.31Å; P139-R141 HydrophobicContact CB-CG 4.45Å; P139-R141 HydrophobicContact CG-CG 4.33Å; P139-R141 PolarHBondContact O-N 3.35Å
140	A	32.1	Very low	42.9	Very low	99 Å²	99	60.3 Å²	60.3	82%	0.818	33%	0.33	S	S	*	.			trans	-60.5	71.6	170.1	0	0	0	0	0	107.4	M138 Q142	M138-A140 PolarHBondContact O-N 3.15Å; A140-Q142 PolarHBondContact O-N 3.16Å
141	R	41.2	Very low	42.7	Very low	73 Å²	73	57.8 Å²	57.8	28%	0.275	31%	0.313	S	S	.	.			trans	-64.7	107.9	173.8	-82.1	-171.6	-178.3	-171.1	1.8	103.4	P139 F143	P139-R141 HydrophobicContact CB-CG 4.45Å; P139-R141 HydrophobicContact CG-CG 4.33Å; P139-R141 PolarHBondContact O-N 3.35Å; R141-F143 VanDerWaalsContact C-N 3.34Å; R141-F143 HydrophobicContact CB-CZ 4.31Å; R141-F143 WeakPolarHBondContact O-CD2 3.03Å; R141-F143 PolarHBondContact O-N 3.42Å
142	Q	38.5	Very low	42.5	Very low	74 Å²	74	57.6 Å²	57.6	35%	0.346	31%	0.312	S	S	.	.			trans	-77.2	94.3	-170.3	92	-161.3	179.7	0	0	108.4	C16 A140 Q144	C16-Q142 HydrophobicContact CB-CB 3.3Å; C16-Q142 HydrophobicContact CB-CG 3.37Å; C16-Q142 WeakPolarHBondContact SG-CG 3.43Å; C16-Q142 PolarHBondContact SG-NE2 2.97Å; C16-Q142 PolarHBondContact SG-OE1 3.42Å; A140-Q142 PolarHBondContact O-N 3.16Å; Q142-Q144 HydrophobicContact CG-CG 4.31Å; Q142-Q144 PolarHBondContact O-N 2.8Å
143	F	45.5	Very low	41.9	Very low	43 Å²	43	53.6 Å²	53.6	19%	0.189	29%	0.294	C	S	.	.			trans	-69.1	111.6	170.8	-62.1	-59.2	0	0	0	107.2	N19 F92 R141 D148	N19-F143 PolarHBondContact ND2-O 3.46Å; F92-F143 AromaticContact CD2-CE1 3.85Å; F92-F143 HydrophobicContact CD2-CE1 3.85Å; F92-F143 AromaticContact CD2-CZ 3.68Å; F92-F143 HydrophobicContact CD2-CZ 3.68Å; F92-F143 HydrophobicContact CE2-CD1 4.02Å; F92-F143 AromaticContact CE2-CE1 3.11Å; F92-F143 HydrophobicContact CE2-CE1 3.11Å; F92-F143 AromaticContact CE2-CZ 3.45Å; F92-F143 HydrophobicContact CE2-CZ 3.45Å; F92-F143 VanDerWaalsContact CE2-CZ 3.45Å; F92-F143 HydrophobicContact CG-CZ 4.48Å; F92-F143 AromaticContact CZ-CE1 3.65Å; F92-F143 HydrophobicContact CZ-CE1 3.65Å; F92-F143 HydrophobicContact CZ-CZ 4.19Å; R141-F143 VanDerWaalsContact C-N 3.34Å; R141-F143 HydrophobicContact CB-CZ 4.31Å; R141-F143 WeakPolarHBondContact O-CD2 3.03Å; R141-F143 PolarHBondContact O-N 3.42Å; F143-D148 HydrophobicContact CB-CB 4.09Å; F143-D148 HydrophobicContact CD1-CB 3.58Å; F143-D148 HydrophobicContact CE1-CB 4.48Å; F143-D148 HydrophobicContact CG-CB 4.26Å
144	Q	45.6	Very low	41.2	Very low	108 Å²	108	54.3 Å²	54.3	51%	0.505	30%	0.295	S	S	.	.			trans	-88.1	-19.4	-178	-69.5	-177.9	-15.1	0	0	111.2	N19 Q142 D148	N19-Q144 PolarHBondContact ND2-O 3Å; Q142-Q144 HydrophobicContact CG-CG 4.31Å; Q142-Q144 PolarHBondContact O-N 2.8Å; Q144-D148 PolarHBondContact N-OD2 3.08Å
145	D	51.2	Low	40.7	Very low	15 Å²	15	59 Å²	59	8%	0.08	31%	0.313	C	S	.	.	S	Bend	trans	-134.4	154.8	-176.9	-163.2	-86.2	0	0	0	112.6	N19 S147 D148 K181 H185 N266	N19-D145 WeakPolarHBondContact ND2-CA 3.37Å; N19-D145 PolarHBondContact ND2-N 2.99Å; D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.31Å; D145-S147 PolarHBondContact OD1-N 2.04Å; D145-S147 PolarHBondContact OD1-OG 3.33Å; D145-D148 PolarHBondContact N-OD2 3.45Å; D145-D148 WeakPolarHBondContact O-CB 3.37Å; D145-D148 PolarHBondContact O-N 3.15Å; D145-D148 VanDerWaalsContact O-N 3.12Å; D145-K181 VanDerWaalsContact CG-CE 3.49Å; D145-K181 WeakPolarHBondContact OD1-CE 3.39Å; D145-K181 IonicContact OD1-NZ 2.87Å; D145-K181 PolarHBondContact OD1-NZ 3.32Å; D145-K181 WeakPolarHBondContact OD2-CE 3.48Å; D145-K181 IonicContact OD2-NZ 3.79Å; D145-K181 PolarHBondContact OD2-NZ 3.39Å; D145-H185 IonicContact OD1-NE2 3.81Å; D145-N266 PolarHBondContact OD2-ND2 2.9Å
146	V	49.2	Very low	40.4	Very low	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.6	-39.5	173.7	66.6	0	0	0	0	111.5	W21 D148 L149 F150 V184 H185	W21-V146 VanDerWaalsContact CD1-CA 3.44Å; W21-V146 HydrophobicContact CD2-CB 3.8Å; W21-V146 HydrophobicContact CD2-CG2 3.29Å; W21-V146 HydrophobicContact CE3-CB 4.45Å; W21-V146 HydrophobicContact CE3-CG2 3.5Å; W21-V146 VanDerWaalsContact CE3-CG2 3.5Å; W21-V146 HydrophobicContact CG-CB 4.07Å; W21-V146 HydrophobicContact CG-CG2 3.82Å; W21-V146 HydrophobicContact CH2-CB 4.22Å; W21-V146 HydrophobicContact CH2-CG2 3.62Å; W21-V146 HydrophobicContact CZ2-CB 3.51Å; W21-V146 HydrophobicContact CZ2-CG1 4.3Å; W21-V146 HydrophobicContact CZ2-CG2 3.41Å; W21-V146 VanDerWaalsContact CZ2-CG2 3.41Å; W21-V146 HydrophobicContact CZ3-CG2 3.65Å; W21-V146 VanDerWaalsContact NE1-CB 3.3Å; V146-D148 PolarHBondContact O-N 3.28Å; V146-L149 WeakPolarHBondContact O-CB 2.94Å; V146-L149 PolarHBondContact O-N 3.42Å; V146-F150 HydrophobicContact CG2-CD2 4.18Å; V146-F150 HydrophobicContact CG2-CE2 3.73Å; V146-F150 WeakPolarHBondContact O-CD2 3.31Å; V146-V184 HydrophobicContact CB-CG1 4.24Å; V146-V184 HydrophobicContact CG1-CG1 3.65Å; V146-V184 HydrophobicContact CG2-CG1 3.5Å; V146-V184 VanDerWaalsContact CG2-CG1 3.5Å; V146-H185 WeakPolarHBondContact CG1-CD2 3.32Å; V146-H185 WeakPolarHBondContact CG1-CE1 3.32Å; V146-H185 WeakPolarHBondContact CG1-NE2 3.34Å
147	S	47.8	Very low	40	Very low	1 Å²	1	65.5 Å²	65.5	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-69.7	-19.5	-173.4	-32.8	0	0	0	0	110.3	D145 F150 C174 K181	D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact OD1-CB 3.26Å; D145-S147 WeakPolarHBondContact OD1-CB 3.31Å; D145-S147 PolarHBondContact OD1-N 2.04Å; D145-S147 PolarHBondContact OD1-OG 3.33Å; S147-F150 PolarHBondContact O-N 2.88Å; S147-C174 VanDerWaalsContact CB-CB 3.41Å; S147-C174 WeakPolarHBondContact O-CB 3.3Å; S147-C174 PolarHBondContact O-N 2.83Å; S147-K181 WeakPolarHBondContact OG-CD 3.41Å; S147-K181 WeakPolarHBondContact OG-CE 3.41Å; S147-K181 WeakPolarHBondContact OG-CG 3.2Å
148	D	49.9	Very low	39.8	Very low	2 Å²	2	69.4 Å²	69.4	1%	0.011	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-44	171.4	-52.3	-19.8	0	0	0	109	F92 F143 Q144 D145 V146 F150 G151 R173	F92-D148 WeakPolarHBondContact CE2-O 3.27Å; F92-D148 VanDerWaalsContact CZ-O 3.31Å; F92-D148 WeakPolarHBondContact CZ-O 3.48Å; F143-D148 HydrophobicContact CB-CB 4.09Å; F143-D148 HydrophobicContact CD1-CB 3.58Å; F143-D148 HydrophobicContact CE1-CB 4.48Å; F143-D148 HydrophobicContact CG-CB 4.26Å; Q144-D148 PolarHBondContact N-OD2 3.08Å; D145-D148 PolarHBondContact N-OD2 3.45Å; D145-D148 WeakPolarHBondContact O-CB 3.37Å; D145-D148 PolarHBondContact O-N 3.15Å; D145-D148 VanDerWaalsContact O-N 3.12Å; V146-D148 PolarHBondContact O-N 3.28Å; D148-F150 PolarHBondContact O-N 2.97Å; D148-F150 VanDerWaalsContact O-N 3.1Å; D148-G151 PolarHBondContact O-N 3.1Å; D148-R173 WeakPolarHBondContact OD1-CG 3.49Å
149	L	51.7	Low	39.4	Very low	4 Å²	4	71.4 Å²	71.4	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-53.7	-34.6	177.2	-165.7	80.4	0	0	0	113.3	W21 A24 T91 F92 F93 V146 G151	W21-L149 HydrophobicContact CB-CD2 4.07Å; A24-L149 HydrophobicContact CB-CD2 4.18Å; T91-L149 WeakPolarHBondContact CB-O 2.95Å; F92-L149 WeakPolarHBondContact CD2-O 3.37Å; F93-L149 HydrophobicContact CE2-CD1 3.52Å; F93-L149 HydrophobicContact CE2-CG 4.09Å; F93-L149 HydrophobicContact CZ-CD1 3.98Å; V146-L149 WeakPolarHBondContact O-CB 2.94Å; V146-L149 PolarHBondContact O-N 3.42Å; L149-G151 PolarHBondContact O-N 2.02Å
150	F	48.8	Very low	39.1	Very low	6 Å²	6	71.2 Å²	71.2	3%	0.026	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	20	178.4	-63	-96.1	0	0	0	113	L75 C78 W87 C89 S90 T91 V146 S147 D148 V184	L75-F150 HydrophobicContact CB-CE1 4.37Å; L75-F150 HydrophobicContact CB-CZ 4.36Å; L75-F150 HydrophobicContact CD1-CD1 3.91Å; L75-F150 HydrophobicContact CD1-CE1 3.28Å; L75-F150 HydrophobicContact CD1-CZ 4Å; L75-F150 HydrophobicContact CG-CE1 4.39Å; C78-F150 HydrophobicContact CB-CE1 4.45Å; W87-F150 HydrophobicContact CZ2-CB 4.03Å; C89-F150 WeakPolarHBondContact SG-CD1 3.38Å; C89-F150 WeakPolarHBondContact SG-CE1 3.43Å; S90-F150 CarbonylContact O-C 3.44Å; S90-F150 VanDerWaalsContact O-CA 3.26Å; S90-F150 WeakPolarHBondContact O-CA 3.39Å; T91-F150 HydrophobicContact CG2-CD1 3.75Å; T91-F150 HydrophobicContact CG2-CE1 4.21Å; T91-F150 HydrophobicContact CG2-CG 4.23Å; V146-F150 HydrophobicContact CG2-CD2 4.18Å; V146-F150 HydrophobicContact CG2-CE2 3.73Å; V146-F150 WeakPolarHBondContact O-CD2 3.31Å; S147-F150 PolarHBondContact O-N 2.88Å; D148-F150 PolarHBondContact O-N 2.97Å; D148-F150 VanDerWaalsContact O-N 3.1Å; F150-V184 HydrophobicContact CD1-CG2 4.3Å; F150-V184 HydrophobicContact CD2-CB 4.43Å; F150-V184 HydrophobicContact CD2-CG1 3.42Å; F150-V184 VanDerWaalsContact CD2-CG1 3.42Å; F150-V184 HydrophobicContact CD2-CG2 4.08Å; F150-V184 HydrophobicContact CE1-CG2 4.45Å; F150-V184 HydrophobicContact CE2-CB 4.43Å; F150-V184 HydrophobicContact CE2-CG1 3.22Å; F150-V184 HydrophobicContact CE2-CG2 4.35Å; F150-V184 HydrophobicContact CG-CG1 4.23Å; F150-V184 HydrophobicContact CG-CG2 4.07Å; F150-V184 HydrophobicContact CZ-CG1 3.82Å
151	G	43.5	Very low	38.8	Very low	1 Å²	1	75.5 Å²	75.5	1%	0.01	36%	0.36	C	S	.	.	S	Bend	trans	-93.7	152.3	163.2	0	0	0	0	0	111	T91 F92 D148 L149	T91-G151 CarbonylContact C-O 3.41Å; F92-G151 WeakPolarHBondContact CA-O 3.42Å; F92-G151 WeakPolarHBondContact CD1-O 3.43Å; F92-G151 WeakPolarHBondContact CD2-O 3.12Å; F92-G151 VanDerWaalsContact CE1-C 3.41Å; F92-G151 WeakPolarHBondContact CE1-O 3.45Å; F92-G151 WeakPolarHBondContact CE2-O 3.25Å; F92-G151 WeakPolarHBondContact CG-O 3.42Å; F92-G151 WeakPolarHBondContact CZ-O 3.33Å; F92-G151 PolarHBondContact N-O 3.41Å; D148-G151 PolarHBondContact O-N 3.1Å; L149-G151 PolarHBondContact O-N 2.02Å
152	G	40.2	Very low	38.1	Very low	2 Å²	2	77.7 Å²	77.7	2%	0.021	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-90.2	155.6	174.3	0	0	0	0	0	116.6	F92 S364 Y366	F92-G152 WeakPolarHBondContact CD1-O 3.1Å; F92-G152 WeakPolarHBondContact CE1-O 3.18Å; G152-S364 VanDerWaalsContact N-CB 3.28Å; G152-S364 PolarHBondContact N-OG 2.85Å; G152-S364 PolarHBondContact O-OG 2.93Å; G152-Y366 VanDerWaalsContact CA-CE2 3.49Å; G152-Y366 VanDerWaalsContact CA-CZ 3.4Å; G152-Y366 WeakPolarHBondContact CA-OH 3.34Å
153	I	33.1	Very low	37.5	Very low	43 Å²	43	82.8 Å²	82.8	22%	0.221	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-73.3	130.4	-174.9	-68.6	-177.5	0	0	0	112.4	F92 I97 K155 Y366	F92-I153 HydrophobicContact CB-CD1 4.18Å; F92-I153 HydrophobicContact CB-CG1 3.65Å; F92-I153 HydrophobicContact CD1-CB 4.27Å; F92-I153 HydrophobicContact CD1-CG1 3.55Å; F92-I153 VanDerWaalsContact CD1-N 3.35Å; F92-I153 HydrophobicContact CG-CG1 4.05Å; F92-I153 VanDerWaalsContact O-CD1 3.3Å; F92-I153 WeakPolarHBondContact O-CD1 2.94Å; I97-I153 HydrophobicContact CD1-CG2 4.24Å; I153-K155 PolarHBondContact O-N 3.38Å; I153-Y366 PolarHBondContact N-OH 3.4Å
154	L	29.8	Very low	36.6	Very low	77 Å²	77	90.5 Å²	90.5	40%	0.403	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-60.7	123.6	155.2	-87.4	167.1	0	0	0	110.5	L156 L172 A361	L154-L156 PolarHBondContact O-N 2.62Å; L154-L172 HydrophobicContact CB-CD1 4.37Å; L154-L172 HydrophobicContact CD1-CD1 4.14Å; L154-L172 HydrophobicContact CD1-CD2 3.85Å; L154-L172 HydrophobicContact CD1-CG 4.38Å; L154-L172 HydrophobicContact CG-CD1 4.17Å; L154-L172 HydrophobicContact CG-CD2 4.1Å; L154-A361 HydrophobicContact CD2-CB 3.62Å
155	K	27.5	Very low	35.6	Very low	195 Å²	195	90.1 Å²	90.1	85%	0.848	45%	0.446	S	S	*	.			trans	-41.2	98.3	170.9	-79.4	174.8	177.2	165.9	0	111.7	I153 R157	I153-K155 PolarHBondContact O-N 3.38Å; K155-R157 PolarHBondContact O-N 3.13Å
156	L	33.6	Very low	34.5	Very low	95 Å²	95	97.3 Å²	97.3	50%	0.497	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	39.2	173.4	-81	169.5	0	0	0	112.2	L154	L154-L156 PolarHBondContact O-N 2.62Å
157	R	29.6	Very low	33.4	Very low	239 Å²	239	104.8 Å²	104.8	90%	0.902	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	5.2	177.6	-123.7	-177.7	-173.1	178	2.1	114.6	K155	K155-R157 PolarHBondContact O-N 3.13Å
158	K	29.3	Very low	32.3	Very low	195 Å²	195	107.7 Å²	107.7	85%	0.848	55%	0.549	S	S	*	.	S	Bend	trans	-137.9	7.1	179.2	-87.6	-165.9	178	-175.2	0	117.7	A160	K158-A160 VanDerWaalsContact C-N 3.29Å; K158-A160 PolarHBondContact O-N 2.03Å
159	L	26.6	Very low	31.3	Very low	143 Å²	143	114.2 Å²	114.2	75%	0.749	58%	0.583	S	S	*	*			trans	-94.2	73.9	170.5	-66.2	173.9	0	0	0	109.2
160	A	26.6	Very low	30.1	Very low	80 Å²	80	123.2 Å²	123.2	66%	0.661	62%	0.617	S	S	*	*			trans	-56.1	135.7	154.2	0	0	0	0	0	108.1	K158 T162	K158-A160 VanDerWaalsContact C-N 3.29Å; K158-A160 PolarHBondContact O-N 2.03Å; A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 2.9Å
161	M	26.5	Very low	29.4	Very low	190 Å²	190	125.8 Å²	125.8	94%	0.936	63%	0.633	S	S	*	*	S	Bend	trans	-67.1	79.5	-177.4	-66.1	169.1	47.8	0	0	111.8
162	T	25.4	Very low	29.1	Very low	118 Å²	118	126.1 Å²	126.1	72%	0.724	64%	0.635	S	S	*	*			trans	-148.9	120.2	165.3	47.8	0	0	0	0	109	A160	A160-T162 VanDerWaalsContact C-N 3.31Å; A160-T162 PolarHBondContact O-N 2.9Å
163	E	26.9	Very low	29.3	Very low	182 Å²	182	128.9 Å²	128.9	85%	0.85	64%	0.644	S	S	*	*			trans	74.2	102	172.4	-60	179.4	167.5	0	0	116.4	P165	E163-P165 VanDerWaalsContact O-CD 3.3Å; E163-P165 WeakPolarHBondContact O-CD 3.42Å
164	F	25.2	Very low	30	Very low	204 Å²	204	127 Å²	127	90%	0.895	64%	0.635	S	S	*	*			trans	-90.2	104.3	160.9	-89.9	-96.7	0	0	0	108.7
165	P	24.9	Very low	31.1	Very low	100 Å²	100	123.9 Å²	123.9	65%	0.649	62%	0.62	S	S	*	*			trans	-79.9	141.6	162.5	4.7	13.8	0	0	0	108.7	E163 N167	E163-P165 VanDerWaalsContact O-CD 3.3Å; E163-P165 WeakPolarHBondContact O-CD 3.42Å; P165-N167 PolarHBondContact O-N 2.85Å
166	Q	28	Very low	33	Very low	167 Å²	167	121.1 Å²	121.1	78%	0.78	60%	0.604	S	S	*	*	S	Bend	trans	-66.9	25.9	-177.3	-67.3	-148.3	-11.8	0	0	116.1	G168	Q166-G168 PolarHBondContact O-N 3.34Å
167	N	26.3	Very low	35.4	Very low	156 Å²	156	117.1 Å²	117.1	83%	0.834	58%	0.583	S	S	*	*	S	Bend	trans	-91.4	91.7	167.1	-74.9	-18.8	0	0	0	108.8	P165 L169	P165-N167 PolarHBondContact O-N 2.85Å; N167-L169 PolarHBondContact O-N 3Å
168	G	25.8	Very low	38.3	Very low	63 Å²	63	105.8 Å²	105.8	65%	0.649	54%	0.54	S	S	*	.			trans	-36.8	124.6	-171.4	0	0	0	0	0	115.6	Q166 R170	Q166-G168 PolarHBondContact O-N 3.34Å; G168-R170 PolarHBondContact O-N 2.91Å
169	L	27.4	Very low	41.4	Very low	138 Å²	138	99.5 Å²	99.5	72%	0.723	51%	0.511	S	S	*	.			trans	-51.1	105.9	171.7	-165.5	70.8	0	0	0	109.8	N167 V171	N167-L169 PolarHBondContact O-N 3Å; L169-V171 PolarHBondContact O-N 3.32Å
170	R	28.2	Very low	44.5	Very low	193 Å²	193	93.1 Å²	93.1	73%	0.728	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-70.3	118	-175.7	-69.4	-178.9	177.9	-171	0.3	110.1	G168 L172 L362	G168-R170 PolarHBondContact O-N 2.91Å; R170-L172 PolarHBondContact O-N 3.49Å; R170-L362 HydrophobicContact CB-CD1 4.11Å
171	V	32.8	Very low	47.5	Very low	61 Å²	61	89.5 Å²	89.5	37%	0.37	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.2	124	174.1	178.6	0	0	0	0	109.9	L169	L169-V171 PolarHBondContact O-N 3.32Å
172	L	38.5	Very low	50.7	Low	8 Å²	8	80.4 Å²	80.4	4%	0.042	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-65.1	124.7	177.3	-69.1	173.1	0	0	0	110.2	F92 L154 R170 A361 L362 S364	F92-L172 HydrophobicContact CE1-CB 3.99Å; F92-L172 HydrophobicContact CE1-CD1 3.71Å; F92-L172 HydrophobicContact CZ-CB 3.8Å; F92-L172 HydrophobicContact CZ-CD1 4.34Å; L154-L172 HydrophobicContact CB-CD1 4.37Å; L154-L172 HydrophobicContact CD1-CD1 4.14Å; L154-L172 HydrophobicContact CD1-CD2 3.85Å; L154-L172 HydrophobicContact CD1-CG 4.38Å; L154-L172 HydrophobicContact CG-CD1 4.17Å; L154-L172 HydrophobicContact CG-CD2 4.1Å; R170-L172 PolarHBondContact O-N 3.49Å; L172-A361 VanDerWaalsContact CD2-O 3.24Å; L172-A361 WeakPolarHBondContact CD2-O 3.42Å; L172-L362 WeakPolarHBondContact CD2-O 3.49Å; L172-S364 WeakPolarHBondContact CB-OG 3.33Å
173	R	43.9	Very low	54	Low	59 Å²	59	74.8 Å²	74.8	22%	0.223	37%	0.368	C	S	.	.			trans	-131	126.1	-163	-123.2	170.7	167.2	166.8	-3.2	109.6	D148 R176 L363	D148-R173 WeakPolarHBondContact OD1-CG 3.49Å; R173-R176 VanDerWaalsContact CD-CG 3.47Å; R173-R176 HydrophobicContact CG-CG 4.38Å; R173-R176 VanDerWaalsContact NH1-NH2 3.2Å; R173-L363 VanDerWaalsContact O-O 3.08Å
174	C	46.5	Very low	57.2	Low	4 Å²	4	66.1 Å²	66.1	3%	0.027	33%	0.327	C	S	.	.	S	Bend	trans	-51.2	142.9	151.8	170.2	0	0	0	0	107.5	S147 R176	S147-C174 VanDerWaalsContact CB-CB 3.41Å; S147-C174 WeakPolarHBondContact O-CB 3.3Å; S147-C174 PolarHBondContact O-N 2.83Å; C174-R176 PolarHBondContact O-N 3.31Å; C174-R176 VanDerWaalsContact O-N 3.08Å
175	P	53.9	Low	60.4	Low	12 Å²	12	56.5 Å²	56.5	8%	0.078	29%	0.285	C	S	.	.	S	Bend	trans	-47.8	122.2	-174	10.2	-27.9	0	0	0	113	N177 S178 P354 F356	P175-N177 PolarHBondContact O-N 3.16Å; P175-S178 WeakPolarHBondContact O-CB 3.26Å; P175-S178 PolarHBondContact O-N 2.83Å; P175-S178 VanDerWaalsContact O-N 3.16Å; P175-S178 PolarHBondContact O-OG 2.67Å; P175-P354 HydrophobicContact CB-CB 4.4Å; P175-P354 HydrophobicContact CB-CG 3.47Å; P175-P354 VanDerWaalsContact CB-CG 3.47Å; P175-P354 HydrophobicContact CG-CG 3.44Å; P175-P354 VanDerWaalsContact CG-CG 3.44Å; P175-F356 HydrophobicContact CG-CE1 3.83Å; P175-F356 HydrophobicContact CG-CZ 3.56Å
176	R	67.9	Low	63.9	Low	137 Å²	137	51.7 Å²	51.7	52%	0.517	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	110	-169.7	-69.3	-178.7	-169.2	-157.7	-3.7	109.6	R173 C174 S178 Q351	R173-R176 VanDerWaalsContact CD-CG 3.47Å; R173-R176 HydrophobicContact CG-CG 4.38Å; R173-R176 VanDerWaalsContact NH1-NH2 3.2Å; C174-R176 PolarHBondContact O-N 3.31Å; C174-R176 VanDerWaalsContact O-N 3.08Å; R176-S178 VanDerWaalsContact C-N 3.3Å; R176-S178 PolarHBondContact O-N 3.08Å; R176-Q351 VanDerWaalsContact O-CB 3.25Å; R176-Q351 WeakPolarHBondContact O-CB 3.5Å; R176-Q351 WeakPolarHBondContact O-CG 3.23Å; R176-Q351 PolarHBondContact O-OE1 3.49Å
177	N	84	Confident	67.1	Low	11 Å²	11	43.8 Å²	43.8	6%	0.059	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	33.3	171.2	-45.4	-39.1	0	0	0	115	P175 K181 M265 L350 Q351	P175-N177 PolarHBondContact O-N 3.16Å; N177-K181 PolarHBondContact OD1-NZ 3.42Å; N177-M265 HydrophobicContact CB-CE 3.85Å; N177-M265 HydrophobicContact CB-SD 3.67Å; N177-L350 HydrophobicContact CB-CB 3.75Å; N177-L350 HydrophobicContact CB-CD1 3.88Å; N177-L350 HydrophobicContact CB-CG 4.22Å; N177-L350 PolarHBondContact O-N 2.98Å; N177-Q351 HydrophobicContact CB-CG 4.4Å; N177-Q351 PolarHBondContact O-N 2.86Å
178	S	90.3	Very high	70.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.			trans	-80.6	178	173.7	62.1	0	0	0	0	113.5	P175 R176 E180 K181 A182 Q351	P175-S178 WeakPolarHBondContact O-CB 3.26Å; P175-S178 PolarHBondContact O-N 2.83Å; P175-S178 VanDerWaalsContact O-N 3.16Å; P175-S178 PolarHBondContact O-OG 2.67Å; R176-S178 VanDerWaalsContact C-N 3.3Å; R176-S178 PolarHBondContact O-N 3.08Å; S178-E180 VanDerWaalsContact C-N 3.28Å; S178-E180 VanDerWaalsContact CB-OE2 3.26Å; S178-E180 WeakPolarHBondContact CB-OE2 3.36Å; S178-E180 PolarHBondContact OG-OE2 2.96Å; S178-K181 PolarHBondContact O-N 2.73Å; S178-K181 PolarHBondContact OG-N 2.92Å; S178-A182 PolarHBondContact O-N 3.24Å; S178-A182 VanDerWaalsContact O-N 3.15Å; S178-Q351 WeakPolarHBondContact CA-O 3.28Å
179	R	93.7	Very high	73.7	Confident	64 Å²	64	33.5 Å²	33.5	24%	0.242	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-34.8	173.8	-68.7	-175.9	-67.5	176.1	0.8	111.8	A182 Y183 F317 A320 Y349	R179-A182 VanDerWaalsContact O-CB 3.3Å; R179-A182 WeakPolarHBondContact O-CB 3.35Å; R179-A182 PolarHBondContact O-N 3.36Å; R179-A182 VanDerWaalsContact O-N 3.11Å; R179-Y183 PolarHBondContact O-N 2.74Å; R179-F317 VanDerWaalsContact C-CE2 3.44Å; R179-F317 HydrophobicContact CB-CD2 3.87Å; R179-F317 HydrophobicContact CB-CE2 3.44Å; R179-F317 VanDerWaalsContact CB-CE2 3.44Å; R179-F317 HydrophobicContact CB-CZ 4.17Å; R179-F317 WeakPolarHBondContact O-CD2 3.45Å; R179-F317 WeakPolarHBondContact O-CE2 3.41Å; R179-A320 HydrophobicContact CG-CB 3.96Å; R179-Y349 HydrophobicContact CG-CD1 3.29Å; R179-Y349 HydrophobicContact CG-CD2 3.96Å; R179-Y349 HydrophobicContact CG-CE1 3.43Å; R179-Y349 VanDerWaalsContact CG-CE1 3.43Å; R179-Y349 HydrophobicContact CG-CE2 4.07Å; R179-Y349 HydrophobicContact CG-CG 3.54Å
180	E	91.5	Very high	77.1	Confident	9 Å²	9	26.9 Å²	26.9	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-46.7	-179.6	-68.2	70.9	-150.7	0	0	109.5	W87 S178 A182 Y183 V184 F317 S353 F356	W87-E180 HydrophobicContact CB-CG 4.06Å; W87-E180 HydrophobicContact CD2-CB 3.87Å; W87-E180 HydrophobicContact CD2-CG 3.63Å; W87-E180 HydrophobicContact CE3-CB 3.53Å; W87-E180 HydrophobicContact CE3-CG 3.33Å; W87-E180 HydrophobicContact CG-CG 3.98Å; W87-E180 HydrophobicContact CH2-CB 4.11Å; W87-E180 HydrophobicContact CZ2-CB 4.37Å; W87-E180 HydrophobicContact CZ3-CB 3.68Å; W87-E180 HydrophobicContact CZ3-CG 3.99Å; S178-E180 VanDerWaalsContact C-N 3.28Å; S178-E180 VanDerWaalsContact CB-OE2 3.26Å; S178-E180 WeakPolarHBondContact CB-OE2 3.36Å; S178-E180 PolarHBondContact OG-OE2 2.96Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.1Å; E180-Y183 PolarHBondContact O-N 3.33Å; E180-V184 WeakPolarHBondContact O-CG2 3.42Å; E180-V184 PolarHBondContact O-N 3.02Å; E180-F317 HydrophobicContact CG-CE2 4.19Å; E180-F317 HydrophobicContact CG-CZ 4.39Å; E180-F317 WeakPolarHBondContact OE1-CZ 3.36Å; E180-S353 VanDerWaalsContact CD-OG 3.28Å; E180-S353 PolarHBondContact OE1-OG 3.1Å; E180-S353 VanDerWaalsContact OE1-OG 3.1Å; E180-S353 WeakPolarHBondContact OE2-CB 3Å; E180-S353 PolarHBondContact OE2-OG 3.15Å; E180-F356 HydrophobicContact CG-CE2 3.92Å; E180-F356 HydrophobicContact CG-CZ 3.72Å
181	K	89.3	Confident	80.5	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-57.1	-42.6	170.5	169.4	158.6	-173	-173.9	0	112.6	D145 S147 N177 S178 Y183 V184 H185 M265 N266	D145-K181 VanDerWaalsContact CG-CE 3.49Å; D145-K181 WeakPolarHBondContact OD1-CE 3.39Å; D145-K181 IonicContact OD1-NZ 2.87Å; D145-K181 PolarHBondContact OD1-NZ 3.32Å; D145-K181 WeakPolarHBondContact OD2-CE 3.48Å; D145-K181 IonicContact OD2-NZ 3.79Å; D145-K181 PolarHBondContact OD2-NZ 3.39Å; S147-K181 WeakPolarHBondContact OG-CD 3.41Å; S147-K181 WeakPolarHBondContact OG-CE 3.41Å; S147-K181 WeakPolarHBondContact OG-CG 3.2Å; N177-K181 PolarHBondContact OD1-NZ 3.42Å; S178-K181 PolarHBondContact O-N 2.73Å; S178-K181 PolarHBondContact OG-N 2.92Å; K181-Y183 VanDerWaalsContact C-N 3.33Å; K181-Y183 PolarHBondContact O-N 2.96Å; K181-V184 PolarHBondContact O-N 2.81Å; K181-H185 PolarHBondContact O-CD2 3.19Å; K181-H185 PolarHBondContact O-N 3.49Å; K181-H185 VanDerWaalsContact O-N 3.08Å; K181-M265 HydrophobicContact CD-CE 3.86Å; K181-M265 HydrophobicContact CG-CE 3.92Å; K181-N266 WeakPolarHBondContact CE-OD1 3.36Å
182	A	94.5	Very high	83.5	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.8	-44	178	0	0	0	0	0	112.3	S178 R179 E180 A186 N269 L347 V348	S178-A182 PolarHBondContact O-N 3.24Å; S178-A182 VanDerWaalsContact O-N 3.15Å; R179-A182 VanDerWaalsContact O-CB 3.3Å; R179-A182 WeakPolarHBondContact O-CB 3.35Å; R179-A182 PolarHBondContact O-N 3.36Å; R179-A182 VanDerWaalsContact O-N 3.11Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.1Å; A182-A186 PolarHBondContact O-N 3.23Å; A182-N269 VanDerWaalsContact CA-ND2 3.31Å; A182-N269 WeakPolarHBondContact CA-ND2 3.34Å; A182-N269 WeakPolarHBondContact CB-ND2 3.04Å; A182-N269 WeakPolarHBondContact O-CB 3.46Å; A182-L347 HydrophobicContact CB-CB 4.27Å; A182-V348 VanDerWaalsContact CB-O 3.31Å; A182-V348 WeakPolarHBondContact CB-O 3.08Å
183	Y	95.2	Very high	86.4	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.6	-45.5	176	-176.1	-87.6	0	0	0	111.9	C78 Q81 F82 R179 E180 K181 H185 A186 I187 G310 L313 S314 F317 L347	C78-Y183 HydrophobicContact CB-CE1 3.97Å; Q81-Y183 WeakPolarHBondContact CG-OH 3.39Å; F82-Y183 HydrophobicContact CD2-CD1 4.18Å; F82-Y183 HydrophobicContact CD2-CE1 4.04Å; F82-Y183 AromaticContact CE2-CD1 3.38Å; F82-Y183 HydrophobicContact CE2-CD1 3.38Å; F82-Y183 AromaticContact CE2-CD2 3.83Å; F82-Y183 HydrophobicContact CE2-CD2 3.83Å; F82-Y183 AromaticContact CE2-CE1 3.51Å; F82-Y183 HydrophobicContact CE2-CE1 3.51Å; F82-Y183 AromaticContact CE2-CE2 3.92Å; F82-Y183 HydrophobicContact CE2-CE2 3.92Å; F82-Y183 AromaticContact CE2-CG 3.56Å; F82-Y183 HydrophobicContact CE2-CG 3.56Å; F82-Y183 AromaticContact CE2-CZ 3.78Å; F82-Y183 AromaticContact CZ-CD1 3.98Å; F82-Y183 HydrophobicContact CZ-CD1 3.98Å; F82-Y183 HydrophobicContact CZ-CD2 4.13Å; F82-Y183 AromaticContact CZ-CG 3.78Å; F82-Y183 HydrophobicContact CZ-CG 3.78Å; R179-Y183 PolarHBondContact O-N 2.74Å; E180-Y183 PolarHBondContact O-N 3.33Å; K181-Y183 VanDerWaalsContact C-N 3.33Å; K181-Y183 PolarHBondContact O-N 2.96Å; Y183-H185 VanDerWaalsContact C-N 3.33Å; Y183-H185 PolarHBondContact O-N 2.8Å; Y183-A186 PolarHBondContact O-N 3.07Å; Y183-A186 VanDerWaalsContact O-N 3.07Å; Y183-I187 HydrophobicContact CD1-CB 4.31Å; Y183-I187 HydrophobicContact CD1-CG2 3.98Å; Y183-I187 HydrophobicContact CE1-CB 3.79Å; Y183-I187 HydrophobicContact CE1-CG1 4.18Å; Y183-I187 HydrophobicContact CE1-CG2 3.72Å; Y183-I187 WeakPolarHBondContact O-CG2 2.92Å; Y183-I187 PolarHBondContact O-N 3.39Å; Y183-G310 PolarHBondContact OH-O 3.22Å; Y183-L313 HydrophobicContact CD2-CB 4.12Å; Y183-L313 HydrophobicContact CE2-CB 3.55Å; Y183-S314 WeakPolarHBondContact CE2-OG 3.41Å; Y183-S314 PolarHBondContact OH-OG 3.1Å; Y183-F317 HydrophobicContact CD2-CB 3.97Å; Y183-L347 HydrophobicContact CD2-CD1 4.29Å
184	V	92.6	Very high	89	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-54.5	-48.9	178.7	169.7	0	0	0	0	111.4	W87 V146 F150 E180 K181 A186 I187 S188	W87-V184 HydrophobicContact CH2-CG2 3.45Å; W87-V184 VanDerWaalsContact CH2-CG2 3.45Å; W87-V184 HydrophobicContact CZ2-CG2 4.24Å; W87-V184 HydrophobicContact CZ3-CG2 4.33Å; V146-V184 HydrophobicContact CB-CG1 4.24Å; V146-V184 HydrophobicContact CG1-CG1 3.65Å; V146-V184 HydrophobicContact CG2-CG1 3.5Å; V146-V184 VanDerWaalsContact CG2-CG1 3.5Å; F150-V184 HydrophobicContact CD1-CG2 4.3Å; F150-V184 HydrophobicContact CD2-CB 4.43Å; F150-V184 HydrophobicContact CD2-CG1 3.42Å; F150-V184 VanDerWaalsContact CD2-CG1 3.42Å; F150-V184 HydrophobicContact CD2-CG2 4.08Å; F150-V184 HydrophobicContact CE1-CG2 4.45Å; F150-V184 HydrophobicContact CE2-CB 4.43Å; F150-V184 HydrophobicContact CE2-CG1 3.22Å; F150-V184 HydrophobicContact CE2-CG2 4.35Å; F150-V184 HydrophobicContact CG-CG1 4.23Å; F150-V184 HydrophobicContact CG-CG2 4.07Å; F150-V184 HydrophobicContact CZ-CG1 3.82Å; E180-V184 WeakPolarHBondContact O-CG2 3.42Å; E180-V184 PolarHBondContact O-N 3.02Å; K181-V184 PolarHBondContact O-N 2.81Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-A186 PolarHBondContact O-N 3.26Å; V184-I187 WeakPolarHBondContact O-CG2 3.07Å; V184-S188 VanDerWaalsContact O-CB 3.22Å; V184-S188 WeakPolarHBondContact O-CB 3.04Å; V184-S188 PolarHBondContact O-N 2.67Å; V184-S188 VanDerWaalsContact O-N 3.1Å; V184-S188 PolarHBondContact O-OG 2.83Å
185	H	93.1	Very high	91.4	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-61.2	-40.7	176.7	-88.7	-78.6	0	0	0	112.9	D145 V146 K181 Y183 S188 A189 E252 N266 N269 N270	D145-H185 IonicContact OD1-NE2 3.81Å; V146-H185 WeakPolarHBondContact CG1-CD2 3.32Å; V146-H185 WeakPolarHBondContact CG1-CE1 3.32Å; V146-H185 WeakPolarHBondContact CG1-NE2 3.34Å; K181-H185 PolarHBondContact O-CD2 3.19Å; K181-H185 PolarHBondContact O-N 3.49Å; K181-H185 VanDerWaalsContact O-N 3.08Å; Y183-H185 VanDerWaalsContact C-N 3.33Å; Y183-H185 PolarHBondContact O-N 2.8Å; H185-S188 WeakPolarHBondContact CA-OG 3.28Å; H185-S188 PolarHBondContact O-OG 3.17Å; H185-A189 VanDerWaalsContact O-CB 3.31Å; H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 3.24Å; H185-A189 VanDerWaalsContact O-N 3.16Å; H185-E252 IonicContact CE1-OE1 3.76Å; H185-N266 PolarHBondContact CD2-OD1 3.11Å; H185-N266 PolarHBondContact CE1-ND2 2.59Å; H185-N266 VanDerWaalsContact CE1-ND2 3.33Å; H185-N266 PolarHBondContact NE2-ND2 3.3Å; H185-N266 VanDerWaalsContact NE2-ND2 3.14Å; H185-N266 PolarHBondContact NE2-OD1 3.01Å; H185-N266 VanDerWaalsContact NE2-OD1 3.13Å; H185-N269 HydrophobicContact CB-CB 3.89Å; H185-N270 VanDerWaalsContact CB-OD1 3.25Å; H185-N270 WeakPolarHBondContact CB-OD1 3.43Å; H185-N270 PolarHBondContact ND1-OD1 2.87Å; H185-N270 PolarHBondContact O-OD1 3.02Å; H185-N270 VanDerWaalsContact O-OD1 3.11Å
186	A	97.6	Very high	93.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.1	-53.5	178.9	0	0	0	0	0	112.3	A182 Y183 V184 S188 A189 A190 N269 G273 L313 L347	A182-A186 PolarHBondContact O-N 3.23Å; Y183-A186 PolarHBondContact O-N 3.07Å; Y183-A186 VanDerWaalsContact O-N 3.07Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-A186 PolarHBondContact O-N 3.26Å; A186-S188 VanDerWaalsContact C-N 3.27Å; A186-S188 PolarHBondContact O-N 3.43Å; A186-A189 PolarHBondContact O-N 2.91Å; A186-A190 VanDerWaalsContact O-CB 3.3Å; A186-A190 WeakPolarHBondContact O-CB 3.26Å; A186-A190 PolarHBondContact O-N 2.74Å; A186-N269 VanDerWaalsContact CA-O 3.27Å; A186-N269 WeakPolarHBondContact CA-O 3.37Å; A186-N269 VanDerWaalsContact CB-O 3.32Å; A186-N269 WeakPolarHBondContact CB-O 3.21Å; A186-G273 VanDerWaalsContact O-CA 3.25Å; A186-G273 WeakPolarHBondContact O-CA 2.79Å; A186-L313 HydrophobicContact CB-CD1 4.14Å; A186-L313 HydrophobicContact CB-CD2 4.02Å; A186-L347 HydrophobicContact CB-CD2 3.54Å
187	I	96.5	Very high	95	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.2	-32.9	-175.2	-167.1	60	0	0	0	112	E77 C78 Y183 V184 G191 F306 L313	E77-I187 HydrophobicContact CB-CD1 4.33Å; E77-I187 HydrophobicContact CB-CG1 4.29Å; E77-I187 HydrophobicContact CG-CD1 4.03Å; E77-I187 HydrophobicContact CG-CG1 4.44Å; C78-I187 HydrophobicContact CB-CG2 4.1Å; Y183-I187 HydrophobicContact CD1-CB 4.31Å; Y183-I187 HydrophobicContact CD1-CG2 3.98Å; Y183-I187 HydrophobicContact CE1-CB 3.79Å; Y183-I187 HydrophobicContact CE1-CG1 4.18Å; Y183-I187 HydrophobicContact CE1-CG2 3.72Å; Y183-I187 WeakPolarHBondContact O-CG2 2.92Å; Y183-I187 PolarHBondContact O-N 3.39Å; V184-I187 WeakPolarHBondContact O-CG2 3.07Å; I187-G191 PolarHBondContact O-N 2.93Å; I187-F306 HydrophobicContact CD1-CE1 3.71Å; I187-F306 HydrophobicContact CD1-CZ 3.66Å; I187-F306 HydrophobicContact CG1-CE1 4.14Å; I187-F306 HydrophobicContact CG1-CZ 4.16Å; I187-L313 HydrophobicContact CB-CD1 4.26Å; I187-L313 HydrophobicContact CD1-CD1 3.88Å
188	S	93.8	Very high	95.6	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.021	4%	0.035	C	C	.	.	H	α-helix	trans	-72.8	-46.4	177.3	50.5	0	0	0	0	114	W21 V184 H185 A186 A190 G191 V192	W21-S188 WeakPolarHBondContact CH2-OG 2.96Å; V184-S188 VanDerWaalsContact O-CB 3.22Å; V184-S188 WeakPolarHBondContact O-CB 3.04Å; V184-S188 PolarHBondContact O-N 2.67Å; V184-S188 VanDerWaalsContact O-N 3.1Å; V184-S188 PolarHBondContact O-OG 2.83Å; H185-S188 WeakPolarHBondContact CA-OG 3.28Å; H185-S188 PolarHBondContact O-OG 3.17Å; A186-S188 VanDerWaalsContact C-N 3.27Å; A186-S188 PolarHBondContact O-N 3.43Å; S188-A190 PolarHBondContact O-N 3.42Å; S188-G191 PolarHBondContact O-N 2.85Å; S188-G191 VanDerWaalsContact O-N 3.1Å; S188-V192 PolarHBondContact O-N 2.89Å
189	A	97.4	Very high	96	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.1	-35.5	174.8	0	0	0	0	0	111.1	H185 A186 A193 S244 V248 N270	H185-A189 VanDerWaalsContact O-CB 3.31Å; H185-A189 WeakPolarHBondContact O-CB 3.36Å; H185-A189 PolarHBondContact O-N 3.24Å; H185-A189 VanDerWaalsContact O-N 3.16Å; A186-A189 PolarHBondContact O-N 2.91Å; A189-A193 WeakPolarHBondContact O-CB 2.99Å; A189-A193 PolarHBondContact O-N 3.2Å; A189-A193 VanDerWaalsContact O-N 3.07Å; A189-S244 PolarHBondContact O-OG 2.86Å; A189-V248 HydrophobicContact CB-CG1 4.12Å; A189-N270 HydrophobicContact CB-CB 3.72Å; A189-N270 WeakPolarHBondContact CB-O 3.2Å
190	A	98.5	Very high	96.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.8	-47.3	170.6	0	0	0	0	0	111.4	A186 S188 V192 A193 Y194 G273 I277 F306 I309 L313	A186-A190 VanDerWaalsContact O-CB 3.3Å; A186-A190 WeakPolarHBondContact O-CB 3.26Å; A186-A190 PolarHBondContact O-N 2.74Å; S188-A190 PolarHBondContact O-N 3.42Å; A190-V192 PolarHBondContact O-N 2.68Å; A190-A193 PolarHBondContact O-N 3.32Å; A190-Y194 WeakPolarHBondContact O-CB 3.44Å; A190-Y194 PolarHBondContact O-N 2.91Å; A190-G273 WeakPolarHBondContact CB-O 3.33Å; A190-I277 HydrophobicContact CB-CD1 4.29Å; A190-I277 HydrophobicContact CB-CG1 4.23Å; A190-I277 WeakPolarHBondContact O-CD1 3.42Å; A190-F306 HydrophobicContact CB-CE2 4.32Å; A190-I309 HydrophobicContact CB-CG2 4.44Å; A190-L313 HydrophobicContact CB-CD1 4.49Å
191	G	98.1	Very high	96.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-56.7	-45.9	178.8	0	0	0	0	0	113	G70 I187 S188 Y194 S195 F306	G70-G191 WeakPolarHBondContact CA-O 3.29Å; G70-G191 CarbonylContact O-C 3.49Å; G70-G191 WeakPolarHBondContact O-CA 3.26Å; I187-G191 PolarHBondContact O-N 2.93Å; S188-G191 PolarHBondContact O-N 2.85Å; S188-G191 VanDerWaalsContact O-N 3.1Å; G191-Y194 PolarHBondContact O-N 3.2Å; G191-S195 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-OG 3.32Å; G191-F306 VanDerWaalsContact CA-CZ 3.46Å
192	V	97.2	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-43.9	175.9	175.1	0	0	0	0	111.8	W20 V67 S188 A190 Y194 S195 I196 V248	W20-V192 HydrophobicContact CH2-CG2 3.56Å; W20-V192 HydrophobicContact CZ3-CG2 3.75Å; V67-V192 HydrophobicContact CG1-CG1 4.4Å; V67-V192 HydrophobicContact CG1-CG2 4.2Å; V67-V192 HydrophobicContact CG2-CG1 4.28Å; S188-V192 PolarHBondContact O-N 2.89Å; A190-V192 PolarHBondContact O-N 2.68Å; V192-Y194 VanDerWaalsContact C-N 3.31Å; V192-Y194 PolarHBondContact O-N 3.12Å; V192-S195 PolarHBondContact O-N 3.33Å; V192-S195 PolarHBondContact O-OG 3.36Å; V192-S195 VanDerWaalsContact O-OG 3.12Å; V192-I196 HydrophobicContact CG1-CD1 3.62Å; V192-I196 HydrophobicContact CG1-CG1 4.46Å; V192-I196 WeakPolarHBondContact O-CB 3.33Å; V192-I196 WeakPolarHBondContact O-CD1 2.96Å; V192-I196 WeakPolarHBondContact O-CG1 3.24Å; V192-I196 PolarHBondContact O-N 3.19Å; V192-I196 VanDerWaalsContact O-N 3.08Å; V192-V248 HydrophobicContact CB-CG2 4Å; V192-V248 HydrophobicContact CG1-CG2 4Å; V192-V248 HydrophobicContact CG2-CG2 4.05Å
193	A	98.6	Very high	96.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-40.1	176.6	0	0	0	0	0	111.8	A189 A190 T197 R274 I277	A189-A193 WeakPolarHBondContact O-CB 2.99Å; A189-A193 PolarHBondContact O-N 3.2Å; A189-A193 VanDerWaalsContact O-N 3.07Å; A190-A193 PolarHBondContact O-N 3.32Å; A193-T197 WeakPolarHBondContact O-CB 3.41Å; A193-T197 PolarHBondContact O-N 3.47Å; A193-T197 PolarHBondContact O-OG1 3.46Å; A193-R274 HydrophobicContact CB-CG 3.85Å; A193-I277 HydrophobicContact CB-CD1 3.61Å
194	Y	98.7	Very high	96.5	Very high	19 Å²	19	17.6 Å²	17.6	8%	0.075	10%	0.101	C	C	.	.	H	α-helix	trans	-63.9	-48.5	178.5	-170.5	-82.5	0	0	0	111.6	M73 A190 G191 V192 I196 T197 R198 M303 A304 F306 I309	M73-Y194 HydrophobicContact CE-CD1 3.96Å; M73-Y194 HydrophobicContact CE-CE1 4.17Å; M73-Y194 HydrophobicContact SD-CD1 3.62Å; M73-Y194 HydrophobicContact SD-CE1 3.91Å; M73-Y194 HydrophobicContact SD-CG 4.37Å; A190-Y194 WeakPolarHBondContact O-CB 3.44Å; A190-Y194 PolarHBondContact O-N 2.91Å; G191-Y194 PolarHBondContact O-N 3.2Å; V192-Y194 VanDerWaalsContact C-N 3.31Å; V192-Y194 PolarHBondContact O-N 3.12Å; Y194-I196 PolarHBondContact O-N 3.04Å; Y194-T197 PolarHBondContact O-N 3.08Å; Y194-R198 WeakPolarHBondContact O-CB 3Å; Y194-R198 PolarHBondContact O-N 3.45Å; Y194-M303 HydrophobicContact CD1-CE 4.22Å; Y194-M303 HydrophobicContact CD2-CB 3.97Å; Y194-M303 HydrophobicContact CD2-CE 3.82Å; Y194-M303 HydrophobicContact CD2-CG 4.33Å; Y194-M303 HydrophobicContact CD2-SD 3.5Å; Y194-M303 VanDerWaalsContact CD2-SD 3.5Å; Y194-M303 HydrophobicContact CE1-CE 4.28Å; Y194-M303 HydrophobicContact CE2-CB 3.47Å; Y194-M303 VanDerWaalsContact CE2-CB 3.47Å; Y194-M303 HydrophobicContact CE2-CE 3.89Å; Y194-M303 HydrophobicContact CE2-CG 4.28Å; Y194-M303 HydrophobicContact CE2-SD 3.93Å; Y194-M303 HydrophobicContact CG-CE 3.99Å; Y194-M303 HydrophobicContact CG-SD 4Å; Y194-M303 WeakPolarHBondContact O-CE 3.38Å; Y194-A304 VanDerWaalsContact CE2-O 3.28Å; Y194-A304 WeakPolarHBondContact CE2-O 3.45Å; Y194-A304 PolarHBondContact OH-O 2.99Å; Y194-F306 HydrophobicContact CD1-CD2 4.23Å; Y194-F306 AromaticContact CD2-CD2 3.81Å; Y194-F306 HydrophobicContact CD2-CD2 3.81Å; Y194-F306 HydrophobicContact CE2-CD2 4.29Å; Y194-F306 AromaticContact CG-CD2 3.77Å; Y194-F306 HydrophobicContact CG-CD2 3.77Å; Y194-F306 HydrophobicContact CG-CE2 4.28Å; Y194-I309 HydrophobicContact CD2-CD1 3.67Å; Y194-I309 HydrophobicContact CE2-CD1 3.79Å
195	S	97.8	Very high	96.5	Very high	7 Å²	7	18 Å²	18	5%	0.049	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-40.4	179.4	67.2	0	0	0	0	112.2	I66 G70 G191 V192 R198 A199	I66-S195 VanDerWaalsContact O-CB 3.26Å; I66-S195 WeakPolarHBondContact O-CB 3.34Å; I66-S195 PolarHBondContact O-OG 2.94Å; G70-S195 WeakPolarHBondContact CA-OG 3.42Å; G191-S195 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-OG 3.32Å; V192-S195 PolarHBondContact O-N 3.33Å; V192-S195 PolarHBondContact O-OG 3.36Å; V192-S195 VanDerWaalsContact O-OG 3.12Å; S195-R198 PolarHBondContact O-N 3.13Å; S195-A199 WeakPolarHBondContact O-CB 3.43Å; S195-A199 PolarHBondContact O-N 3.43Å
196	I	98.1	Very high	96.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-50.9	175.7	-69.6	164.5	0	0	0	111.1	I66 V192 Y194 R198 A199 C200 L205 F239 L243	I66-I196 HydrophobicContact CG2-CG1 3.96Å; V192-I196 HydrophobicContact CG1-CD1 3.62Å; V192-I196 HydrophobicContact CG1-CG1 4.46Å; V192-I196 WeakPolarHBondContact O-CB 3.33Å; V192-I196 WeakPolarHBondContact O-CD1 2.96Å; V192-I196 WeakPolarHBondContact O-CG1 3.24Å; V192-I196 PolarHBondContact O-N 3.19Å; V192-I196 VanDerWaalsContact O-N 3.08Å; Y194-I196 PolarHBondContact O-N 3.04Å; I196-R198 PolarHBondContact O-N 3.13Å; I196-A199 PolarHBondContact O-N 3.17Å; I196-C200 PolarHBondContact O-N 3.38Å; I196-C200 PolarHBondContact O-SG 3.45Å; I196-C200 VanDerWaalsContact O-SG 3.39Å; I196-L205 HydrophobicContact CG2-CD1 4.01Å; I196-F239 HydrophobicContact CG2-CD1 4.2Å; I196-F239 HydrophobicContact CG2-CE1 4.12Å; I196-L243 HydrophobicContact CD1-CB 4.02Å; I196-L243 HydrophobicContact CD1-CD2 3.91Å; I196-L243 HydrophobicContact CD1-CG 3.81Å; I196-L243 HydrophobicContact CG1-CD2 4.24Å; I196-L243 HydrophobicContact CG2-CB 4.17Å; I196-L243 HydrophobicContact CG2-CD2 3.73Å; I196-L243 HydrophobicContact CG2-CG 4.42Å
197	T	98.2	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-39.3	179.6	-72.5	0	0	0	0	111.2	A193 Y194 S201 E235 D236 V237 G240 M303	A193-T197 WeakPolarHBondContact O-CB 3.41Å; A193-T197 PolarHBondContact O-N 3.47Å; A193-T197 PolarHBondContact O-OG1 3.46Å; Y194-T197 PolarHBondContact O-N 3.08Å; T197-S201 PolarHBondContact O-N 2.76Å; T197-S201 VanDerWaalsContact O-N 3.08Å; T197-S201 PolarHBondContact O-OG 3.46Å; T197-E235 HydrophobicContact CG2-CB 3.8Å; T197-D236 PolarHBondContact OG1-O 3.18Å; T197-D236 VanDerWaalsContact OG1-O 3.09Å; T197-V237 HydrophobicContact CG2-CG2 4.03Å; T197-V237 WeakPolarHBondContact OG1-CA 3.5Å; T197-G240 VanDerWaalsContact OG1-CA 3.31Å; T197-G240 WeakPolarHBondContact OG1-CA 3.2Å; T197-M303 HydrophobicContact CG2-CE 3.61Å; T197-M303 HydrophobicContact CG2-CG 4.43Å; T197-M303 HydrophobicContact CG2-SD 3.65Å
198	R	97.7	Very high	96.1	Very high	76 Å²	76	27.7 Å²	27.7	29%	0.287	17%	0.169	S	C	.	.	H	α-helix	trans	-65.9	-46.5	176.8	-170.4	64.7	177.6	174.3	4.4	111.7	Y194 S195 I196 C200 S201 Q202 E235 M303	Y194-R198 WeakPolarHBondContact O-CB 3Å; Y194-R198 PolarHBondContact O-N 3.45Å; S195-R198 PolarHBondContact O-N 3.13Å; I196-R198 PolarHBondContact O-N 3.13Å; R198-C200 VanDerWaalsContact C-N 3.33Å; R198-C200 PolarHBondContact O-N 3.01Å; R198-S201 PolarHBondContact O-N 2.97Å; R198-S201 VanDerWaalsContact O-N 3.09Å; R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.09Å; R198-Q202 PolarHBondContact O-N 2.86Å; R198-E235 IonicContact CZ-OE1 2.71Å; R198-E235 IonicContact NH1-OE1 3.73Å; R198-E235 PolarHBondContact NH1-OE1 3.24Å; R198-M303 HydrophobicContact CB-CE 4.2Å
199	A	97.3	Very high	96.1	Very high	3 Å²	3	30 Å²	30	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-43.3	176.6	0	0	0	0	0	112	I66 S195 I196 S201 Q202 G203 D204 L205	I66-A199 HydrophobicContact CD1-CB 3.55Å; I66-A199 HydrophobicContact CG1-CB 3.95Å; I66-A199 HydrophobicContact CG2-CB 3.93Å; S195-A199 WeakPolarHBondContact O-CB 3.43Å; S195-A199 PolarHBondContact O-N 3.43Å; I196-A199 PolarHBondContact O-N 3.17Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-S201 PolarHBondContact O-N 3.07Å; A199-Q202 CarbonylContact O-C 3.59Å; A199-Q202 PolarHBondContact O-N 3.36Å; A199-G203 PolarHBondContact O-N 2.55Å; A199-D204 HydrophobicContact CB-CB 4.03Å; A199-D204 PolarHBondContact O-N 3.32Å; A199-L205 HydrophobicContact CB-CD1 3.9Å; A199-L205 HydrophobicContact CB-CG 4.06Å
200	C	97.4	Very high	96	Very high	4 Å²	4	32 Å²	32	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-38.5	174.1	-70.7	0	0	0	0	113.2	I196 R198 Q202 G203 C208 F239	I196-C200 PolarHBondContact O-N 3.38Å; I196-C200 PolarHBondContact O-SG 3.45Å; I196-C200 VanDerWaalsContact O-SG 3.39Å; R198-C200 VanDerWaalsContact C-N 3.33Å; R198-C200 PolarHBondContact O-N 3.01Å; C200-Q202 VanDerWaalsContact C-N 3.27Å; C200-Q202 PolarHBondContact O-N 3.08Å; C200-G203 PolarHBondContact O-N 3.1Å; C200-C208 WeakPolarHBondContact CA-SG 3.42Å; C200-C208 HydrophobicContact CB-CB 3.71Å; C200-C208 WeakPolarHBondContact CB-SG 3.33Å; C200-C208 WeakPolarHBondContact SG-CB 3.09Å; C200-C208 CovalentContact SG-SG 2.03Å; C200-C208 PolarHBondContact SG-SG 3.34Å; C200-F239 WeakPolarHBondContact SG-CD1 3.27Å; C200-F239 WeakPolarHBondContact SG-CE1 2.91Å
201	S	96.3	Very high	95.8	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	20%	0.202	C	C	.	.	H	α-helix	trans	-74	-21.4	178.7	-52.4	0	0	0	0	112.4	T197 R198 A199 E235	T197-S201 PolarHBondContact O-N 2.76Å; T197-S201 VanDerWaalsContact O-N 3.08Å; T197-S201 PolarHBondContact O-OG 3.46Å; R198-S201 PolarHBondContact O-N 2.97Å; R198-S201 VanDerWaalsContact O-N 3.09Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-S201 PolarHBondContact O-N 3.07Å; S201-E235 WeakPolarHBondContact OG-CG 3.44Å
202	Q	95.1	Very high	95.4	Very high	99 Å²	99	40.2 Å²	40.2	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-91.6	-13.9	176.3	-69.6	176.4	-51.2	0	0	113.1	R198 A199 C200	R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.09Å; R198-Q202 PolarHBondContact O-N 2.86Å; A199-Q202 CarbonylContact O-C 3.59Å; A199-Q202 PolarHBondContact O-N 3.36Å; C200-Q202 VanDerWaalsContact C-N 3.27Å; C200-Q202 PolarHBondContact O-N 3.08Å
203	G	94.1	Very high	94.9	Very high	59 Å²	59	44 Å²	44	61%	0.608	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	11.6	-176	0	0	0	0	0	114.5	A199 C200 L205	A199-G203 PolarHBondContact O-N 2.55Å; C200-G203 PolarHBondContact O-N 3.1Å; G203-L205 VanDerWaalsContact C-N 3.31Å; G203-L205 PolarHBondContact O-N 3.35Å
204	D	92.3	Very high	94.1	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	25%	0.254	S	S	.	.			trans	-78.8	-14.1	-176.5	-64	-23.5	0	0	0	113.5	N62 I66 A199	N62-D204 PolarHBondContact ND2-O 2.69Å; I66-D204 HydrophobicContact CD1-CB 4.46Å; A199-D204 HydrophobicContact CB-CB 4.03Å; A199-D204 PolarHBondContact O-N 3.32Å
205	L	93.5	Very high	93	Very high	9 Å²	9	49 Å²	49	5%	0.047	28%	0.277	C	S	.	.	S	Bend	trans	-118.2	136.9	177	-79.7	172.9	0	0	0	111.1	M63 I66 I196 A199 G203 C208	M63-L205 HydrophobicContact CE-CD2 3.76Å; M63-L205 HydrophobicContact SD-CD2 4.32Å; I66-L205 HydrophobicContact CD1-CD1 3.92Å; I66-L205 HydrophobicContact CD1-CD2 3.6Å; I66-L205 HydrophobicContact CD1-CG 3.47Å; I66-L205 VanDerWaalsContact CD1-CG 3.47Å; I196-L205 HydrophobicContact CG2-CD1 4.01Å; A199-L205 HydrophobicContact CB-CD1 3.9Å; A199-L205 HydrophobicContact CB-CG 4.06Å; G203-L205 VanDerWaalsContact C-N 3.31Å; G203-L205 PolarHBondContact O-N 3.35Å; L205-C208 VanDerWaalsContact CB-SG 3.51Å
206	P	91.4	Very high	91.7	Very high	60 Å²	60	57.6 Å²	57.6	39%	0.39	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	158.6	175.1	32.2	-35.2	0	0	0	111.1	I59 C208	I59-P206 HydrophobicContact CG2-CG 4.34Å; P206-C208 PolarHBondContact O-N 2.6Å; P206-C208 VanDerWaalsContact O-N 3.08Å
207	S	90.4	Very high	90.3	Very high	122 Å²	122	61.5 Å²	61.5	85%	0.853	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	16.1	171.1	-51.2	0	0	0	0	115.6
208	C	95.5	Very high	88.4	Confident	21 Å²	21	68 Å²	68	14%	0.142	36%	0.358	C	S	.	.			trans	-136.8	157.5	167.7	60.7	0	0	0	0	110.8	C200 L205 P206 F239	C200-C208 WeakPolarHBondContact CA-SG 3.42Å; C200-C208 HydrophobicContact CB-CB 3.71Å; C200-C208 WeakPolarHBondContact CB-SG 3.33Å; C200-C208 WeakPolarHBondContact SG-CB 3.09Å; C200-C208 CovalentContact SG-SG 2.03Å; C200-C208 PolarHBondContact SG-SG 3.34Å; L205-C208 VanDerWaalsContact CB-SG 3.51Å; P206-C208 PolarHBondContact O-N 2.6Å; P206-C208 VanDerWaalsContact O-N 3.08Å; C208-F239 HydrophobicContact CB-CD1 3.72Å; C208-F239 HydrophobicContact CB-CD2 3.99Å; C208-F239 HydrophobicContact CB-CE1 3.46Å; C208-F239 VanDerWaalsContact CB-CE1 3.46Å; C208-F239 HydrophobicContact CB-CE2 3.75Å; C208-F239 HydrophobicContact CB-CG 4Å; C208-F239 HydrophobicContact CB-CZ 3.49Å; C208-F239 VanDerWaalsContact CB-CZ 3.49Å
209	S	94.9	Very high	86.8	Confident	52 Å²	52	68.5 Å²	68.5	36%	0.364	36%	0.362	S	S	.	.			trans	-157.8	-171	-179.2	63.6	0	0	0	0	109.3
210	C	95.3	Very high	84.7	Confident	42 Å²	42	75.6 Å²	75.6	28%	0.284	39%	0.392	S	S	.	.	S	Bend	trans	-57.4	153.7	172.2	-44.5	0	0	0	0	112.3	K212 C233 S234	C210-K212 PolarHBondContact O-N 2.8Å; C210-C233 HydrophobicContact CB-CB 4.06Å; C210-C233 WeakPolarHBondContact CB-SG 3.31Å; C210-C233 VanDerWaalsContact SG-CA 3.59Å; C210-C233 WeakPolarHBondContact SG-CB 3.38Å; C210-C233 CovalentContact SG-SG 2.02Å; C210-C233 PolarHBondContact SG-SG 2.86Å; C210-S234 CarbonylContact C-O 3.49Å; C210-S234 VanDerWaalsContact CA-O 3.32Å; C210-S234 WeakPolarHBondContact CA-O 3.22Å; C210-S234 WeakPolarHBondContact CB-O 3.12Å
211	D	94.1	Very high	82.6	Confident	11 Å²	11	79 Å²	79	6%	0.059	41%	0.41	C	S	.	.			trans	-68	99.7	178.2	-171.9	-6.1	0	0	0	110.8	E213 V214 R217 S234 D236	D211-E213 VanDerWaalsContact C-N 3.25Å; D211-E213 PolarHBondContact O-N 3.28Å; D211-E213 WeakPolarHBondContact OD1-CB 3.42Å; D211-E213 PolarHBondContact OD1-N 2.88Å; D211-V214 WeakPolarHBondContact O-CG1 3.21Å; D211-R217 IonicContact OD1-NH2 3.13Å; D211-R217 IonicContact OD2-CZ 2.74Å; D211-R217 VanDerWaalsContact OD2-CZ 3.22Å; D211-R217 IonicContact OD2-NH1 3.5Å; D211-R217 PolarHBondContact OD2-NH1 3.1Å; D211-R217 IonicContact OD2-NH2 3.18Å; D211-R217 PolarHBondContact OD2-NH2 2.95Å; D211-S234 PolarHBondContact N-O 2.93Å; D211-D236 HydrophobicContact CB-CB 3.93Å
212	K	89	Confident	80.6	Confident	161 Å²	161	87.3 Å²	87.3	70%	0.7	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-71.4	-19.9	177.8	-59.2	-177.6	-177.2	-179.1	0	113	C210 V214	C210-K212 PolarHBondContact O-N 2.8Å; K212-V214 PolarHBondContact O-N 2.95Å
213	E	86.5	Confident	78.8	Confident	80 Å²	80	93.5 Å²	93.5	37%	0.374	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-84.7	0.3	-176.7	-60.8	-60.7	142.3	0	0	112.4	D211 H215 R216 R217	D211-E213 VanDerWaalsContact C-N 3.25Å; D211-E213 PolarHBondContact O-N 3.28Å; D211-E213 WeakPolarHBondContact OD1-CB 3.42Å; D211-E213 PolarHBondContact OD1-N 2.88Å; E213-H215 PolarHBondContact O-N 3.49Å; E213-R216 PolarHBondContact O-N 2.75Å; E213-R216 VanDerWaalsContact O-N 3.13Å; E213-R216 IonicContact OE1-CZ 2.91Å; E213-R216 IonicContact OE1-NH1 3.94Å; E213-R216 PolarHBondContact OE1-NH1 2.83Å; E213-R216 WeakPolarHBondContact OE2-CD 3.41Å; E213-R216 IonicContact OE2-CZ 3.11Å; E213-R216 IonicContact OE2-NE 2.69Å; E213-R216 IonicContact OE2-NH1 2.73Å; E213-R216 PolarHBondContact OE2-NH1 2.85Å; E213-R217 PolarHBondContact O-N 2.83Å
214	V	83.6	Confident	76.9	Confident	2 Å²	2	94.8 Å²	94.8	1%	0.012	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-60.5	-35.8	-179.4	78.3	0	0	0	0	112.3	D211 K212 R216 R217 F219 W230 R301	D211-V214 WeakPolarHBondContact O-CG1 3.21Å; K212-V214 PolarHBondContact O-N 2.95Å; V214-R216 VanDerWaalsContact C-N 3.33Å; V214-R216 PolarHBondContact O-N 3.1Å; V214-R217 PolarHBondContact O-N 3.38Å; V214-F219 HydrophobicContact CG2-CE2 4.17Å; V214-W230 HydrophobicContact CG1-CD2 3.99Å; V214-W230 HydrophobicContact CG1-CE3 4.02Å; V214-W230 HydrophobicContact CG1-CG 4.41Å; V214-W230 HydrophobicContact CG1-CZ3 4.49Å; V214-W230 HydrophobicContact CG2-CD2 4.14Å; V214-W230 HydrophobicContact CG2-CE3 3.86Å; V214-W230 HydrophobicContact CG2-CH2 3.34Å; V214-W230 HydrophobicContact CG2-CZ2 3.61Å; V214-W230 HydrophobicContact CG2-CZ3 3.48Å; V214-W230 VanDerWaalsContact CG2-CZ3 3.48Å; V214-R301 HydrophobicContact CG2-CG 4.11Å
215	H	74.8	Confident	75.4	Confident	121 Å²	121	100.2 Å²	100.2	56%	0.56	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-67.9	-31.2	177.9	-58.8	-90.2	0	0	0	112.7	E213 W230	E213-H215 PolarHBondContact O-N 3.49Å; H215-W230 WeakPolarHBondContact CE1-CB 3.15Å; H215-W230 AromaticContact CE1-CG 3.77Å; H215-W230 WeakPolarHBondContact ND1-CB 3.34Å; H215-W230 AromaticContact ND1-CD1 3.39Å; H215-W230 AromaticContact ND1-CG 3.56Å
216	R	70.6	Confident	74.1	Confident	189 Å²	189	102 Å²	102	71%	0.713	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.6	179.7	-60.8	-160	-175.5	140.8	-9.6	112.6	E213 V214 N218	E213-R216 PolarHBondContact O-N 2.75Å; E213-R216 VanDerWaalsContact O-N 3.13Å; E213-R216 IonicContact OE1-CZ 2.91Å; E213-R216 IonicContact OE1-NH1 3.94Å; E213-R216 PolarHBondContact OE1-NH1 2.83Å; E213-R216 WeakPolarHBondContact OE2-CD 3.41Å; E213-R216 IonicContact OE2-CZ 3.11Å; E213-R216 IonicContact OE2-NE 2.69Å; E213-R216 IonicContact OE2-NH1 2.73Å; E213-R216 PolarHBondContact OE2-NH1 2.85Å; V214-R216 VanDerWaalsContact C-N 3.33Å; V214-R216 PolarHBondContact O-N 3.1Å; R216-N218 PolarHBondContact O-N 3.12Å
217	R	68.7	Low	73.5	Confident	83 Å²	83	106.7 Å²	106.7	31%	0.313	52%	0.517	S	S	.	.	S	Bend	trans	-70.6	107.4	172.3	-64.7	-178	-164.6	140.4	13.8	106.5	D211 E213 V214 F219 N238	D211-R217 IonicContact OD1-NH2 3.13Å; D211-R217 IonicContact OD2-CZ 2.74Å; D211-R217 VanDerWaalsContact OD2-CZ 3.22Å; D211-R217 IonicContact OD2-NH1 3.5Å; D211-R217 PolarHBondContact OD2-NH1 3.1Å; D211-R217 IonicContact OD2-NH2 3.18Å; D211-R217 PolarHBondContact OD2-NH2 2.95Å; E213-R217 PolarHBondContact O-N 2.83Å; V214-R217 PolarHBondContact O-N 3.38Å; R217-F219 HydrophobicContact CB-CD2 3.75Å; R217-F219 HydrophobicContact CB-CE2 3.66Å; R217-F219 HydrophobicContact CG-CE2 4.48Å; R217-F219 WeakPolarHBondContact O-CD2 3.3Å; R217-F219 PolarHBondContact O-N 3.38Å; R217-N238 PolarHBondContact NH2-ND2 3.18Å
218	N	58.6	Low	73.2	Confident	137 Å²	137	102.6 Å²	102.6	73%	0.733	48%	0.483	S	S	*	.			trans	-57.2	75.8	165.6	-98.2	-24.6	0	0	0	109.4	R216 K220	R216-N218 PolarHBondContact O-N 3.12Å; N218-K220 HydrophobicContact CB-CG 4.12Å; N218-K220 PolarHBondContact O-N 3.31Å
219	F	62.5	Low	72.8	Confident	85 Å²	85	107.6 Å²	107.6	37%	0.373	50%	0.504	S	S	.	.			trans	-69.9	63.7	161.4	-78.9	-84.4	0	0	0	106.4	V214 R217 N221 W230	V214-F219 HydrophobicContact CG2-CE2 4.17Å; R217-F219 HydrophobicContact CB-CD2 3.75Å; R217-F219 HydrophobicContact CB-CE2 3.66Å; R217-F219 HydrophobicContact CG-CE2 4.48Å; R217-F219 WeakPolarHBondContact O-CD2 3.3Å; R217-F219 PolarHBondContact O-N 3.38Å; F219-N221 PolarHBondContact O-N 3.15Å; F219-W230 HydrophobicContact CB-CZ2 4.1Å; F219-W230 AromaticContact CD2-CH2 3.91Å; F219-W230 HydrophobicContact CD2-CH2 3.91Å; F219-W230 AromaticContact CD2-CZ2 3.59Å; F219-W230 HydrophobicContact CD2-CZ2 3.59Å; F219-W230 HydrophobicContact CE2-CH2 4.31Å; F219-W230 HydrophobicContact CE2-CZ2 4.33Å; F219-W230 HydrophobicContact CG-CH2 4.32Å; F219-W230 HydrophobicContact CG-CZ2 4.08Å
220	K	54.5	Low	72.5	Confident	152 Å²	152	107.6 Å²	107.6	66%	0.661	50%	0.496	S	S	*	.			trans	-53.9	127.4	174.3	-72.6	-175.9	176.8	-171.7	0	106.7	N218 K222	N218-K220 HydrophobicContact CB-CG 4.12Å; N218-K220 PolarHBondContact O-N 3.31Å; K220-K222 PolarHBondContact O-N 2.87Å
221	N	53.1	Low	72.2	Confident	76 Å²	76	106.4 Å²	106.4	41%	0.406	49%	0.49	S	S	.	.	S	Bend	trans	-52.6	31.2	-173	-91.9	-17.7	0	0	0	117.4	F219 R223 F224 G226 W228	F219-N221 PolarHBondContact O-N 3.15Å; N221-R223 PolarHBondContact O-N 2.74Å; N221-R223 VanDerWaalsContact O-N 3.1Å; N221-F224 PolarHBondContact O-N 2.94Å; N221-G226 PolarHBondContact ND2-O 3.27Å; N221-W228 PolarHBondContact OD1-NE1 2.98Å
222	K	54.8	Low	72	Confident	200 Å²	200	109.4 Å²	109.4	87%	0.87	52%	0.524	S	S	*	.	S	Bend	trans	-63.5	-20.8	-177.7	-69.9	-167.2	176.3	-171.4	0	113.9	K220	K220-K222 PolarHBondContact O-N 2.87Å
223	R	55.8	Low	72.2	Confident	229 Å²	229	103.6 Å²	103.6	86%	0.864	50%	0.503	S	S	*	.	S	Bend	trans	-112.4	-10	-178.6	-86.4	-168.7	-79.3	173.7	-4.7	115.1	N221	N221-R223 PolarHBondContact O-N 2.74Å; N221-R223 VanDerWaalsContact O-N 3.1Å
224	F	55.4	Low	72.6	Confident	85 Å²	85	100 Å²	100	37%	0.373	49%	0.487	S	S	.	.			trans	-131	112.8	-175.4	-79.5	-89	0	0	0	109.4	N221 L283	N221-F224 PolarHBondContact O-N 2.94Å; F224-L283 HydrophobicContact CD1-CD2 4.5Å; F224-L283 HydrophobicContact CD2-CD2 3.84Å; F224-L283 HydrophobicContact CE2-CB 4.09Å; F224-L283 HydrophobicContact CE2-CD2 3.89Å; F224-L283 HydrophobicContact CG-CD2 4.17Å; F224-L283 HydrophobicContact CZ-CB 4.18Å; F224-L283 HydrophobicContact CZ-CD2 4.24Å
225	H	60.1	Low	73.2	Confident	187 Å²	187	100.2 Å²	100.2	87%	0.866	49%	0.488	S	S	*	.			trans	-69.6	134.2	172	-68.5	-94.3	0	0	0	109.6
226	G	67.1	Low	74.2	Confident	47 Å²	47	95.8 Å²	95.8	49%	0.485	47%	0.468	S	S	.	.	S	Bend	trans	104.5	158.6	173.9	0	0	0	0	0	115.7	N221	N221-G226 PolarHBondContact ND2-O 3.27Å
227	D	77.5	Confident	75.5	Confident	158 Å²	158	87 Å²	87	85%	0.845	44%	0.436	S	S	*	.			trans	-77.4	133.2	175.6	-64.7	-32.5	0	0	0	110.5
228	W	85.5	Confident	76.8	Confident	37 Å²	37	85.3 Å²	85.3	14%	0.14	43%	0.433	C	S	.	.			trans	-151.6	154.6	176.6	59	-86	0	0	0	109	N221 W230 L283 R297 C299	N221-W228 PolarHBondContact OD1-NE1 2.98Å; W228-W230 HydrophobicContact CH2-CD2 4.2Å; W228-W230 AromaticContact CH2-CE2 3.75Å; W228-W230 HydrophobicContact CH2-CE3 4.39Å; W228-W230 AromaticContact CH2-CH2 3.71Å; W228-W230 HydrophobicContact CH2-CH2 3.71Å; W228-W230 AromaticContact CH2-CZ2 3.52Å; W228-W230 HydrophobicContact CH2-CZ2 3.52Å; W228-W230 HydrophobicContact CH2-CZ3 4.14Å; W228-W230 AromaticContact CZ3-CD2 3.69Å; W228-W230 HydrophobicContact CZ3-CD2 3.69Å; W228-W230 AromaticContact CZ3-CE2 3.72Å; W228-W230 AromaticContact CZ3-CE3 3.85Å; W228-W230 HydrophobicContact CZ3-CE3 3.85Å; W228-W230 HydrophobicContact CZ3-CG 4.21Å; W228-W230 HydrophobicContact CZ3-CH2 4.01Å; W228-W230 AromaticContact CZ3-CZ2 3.91Å; W228-W230 HydrophobicContact CZ3-CZ2 3.91Å; W228-W230 AromaticContact CZ3-CZ3 3.98Å; W228-W230 HydrophobicContact CZ3-CZ3 3.98Å; W228-L283 HydrophobicContact CH2-CD1 4.13Å; W228-L283 HydrophobicContact CH2-CD2 4.13Å; W228-L283 HydrophobicContact CZ2-CD2 3.88Å; W228-L283 HydrophobicContact CZ3-CD1 4.3Å; W228-R297 CarbonylContact C-O 3.47Å; W228-R297 WeakPolarHBondContact CA-O 3.21Å; W228-R297 HydrophobicContact CB-CB 3.94Å; W228-R297 HydrophobicContact CB-CG 4.29Å; W228-R297 WeakPolarHBondContact CB-O 3.46Å; W228-C299 HydrophobicContact CD2-CB 4.12Å; W228-C299 HydrophobicContact CE3-CB 3.44Å; W228-C299 VanDerWaalsContact CE3-CB 3.44Å; W228-C299 VanDerWaalsContact CE3-SG 3.54Å; W228-C299 HydrophobicContact CZ3-CB 3.78Å
229	E	87	Confident	78.6	Confident	125 Å²	125	81 Å²	81	58%	0.584	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.9	-179.4	-64.3	-177.3	174.5	0	0	110.4	G231 R297 L298 C299	E229-G231 PolarHBondContact O-N 3.38Å; E229-R297 PolarHBondContact N-O 2.76Å; E229-L298 HydrophobicContact CB-CD2 4.08Å; E229-L298 CarbonylContact O-C 3.53Å; E229-L298 WeakPolarHBondContact O-CA 3.35Å; E229-C299 PolarHBondContact O-N 3Å
230	W	88.8	Confident	80.3	Confident	53 Å²	53	76.9 Å²	76.9	20%	0.201	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.5	169.6	-72.3	109.3	0	0	0	109.4	V214 H215 F219 W228 L283 C299 R301	V214-W230 HydrophobicContact CG1-CD2 3.99Å; V214-W230 HydrophobicContact CG1-CE3 4.02Å; V214-W230 HydrophobicContact CG1-CG 4.41Å; V214-W230 HydrophobicContact CG1-CZ3 4.49Å; V214-W230 HydrophobicContact CG2-CD2 4.14Å; V214-W230 HydrophobicContact CG2-CE3 3.86Å; V214-W230 HydrophobicContact CG2-CH2 3.34Å; V214-W230 HydrophobicContact CG2-CZ2 3.61Å; V214-W230 HydrophobicContact CG2-CZ3 3.48Å; V214-W230 VanDerWaalsContact CG2-CZ3 3.48Å; H215-W230 WeakPolarHBondContact CE1-CB 3.15Å; H215-W230 AromaticContact CE1-CG 3.77Å; H215-W230 WeakPolarHBondContact ND1-CB 3.34Å; H215-W230 AromaticContact ND1-CD1 3.39Å; H215-W230 AromaticContact ND1-CG 3.56Å; F219-W230 HydrophobicContact CB-CZ2 4.1Å; F219-W230 AromaticContact CD2-CH2 3.91Å; F219-W230 HydrophobicContact CD2-CH2 3.91Å; F219-W230 AromaticContact CD2-CZ2 3.59Å; F219-W230 HydrophobicContact CD2-CZ2 3.59Å; F219-W230 HydrophobicContact CE2-CH2 4.31Å; F219-W230 HydrophobicContact CE2-CZ2 4.33Å; F219-W230 HydrophobicContact CG-CH2 4.32Å; F219-W230 HydrophobicContact CG-CZ2 4.08Å; W228-W230 HydrophobicContact CH2-CD2 4.2Å; W228-W230 AromaticContact CH2-CE2 3.75Å; W228-W230 HydrophobicContact CH2-CE3 4.39Å; W228-W230 AromaticContact CH2-CH2 3.71Å; W228-W230 HydrophobicContact CH2-CH2 3.71Å; W228-W230 AromaticContact CH2-CZ2 3.52Å; W228-W230 HydrophobicContact CH2-CZ2 3.52Å; W228-W230 HydrophobicContact CH2-CZ3 4.14Å; W228-W230 AromaticContact CZ3-CD2 3.69Å; W228-W230 HydrophobicContact CZ3-CD2 3.69Å; W228-W230 AromaticContact CZ3-CE2 3.72Å; W228-W230 AromaticContact CZ3-CE3 3.85Å; W228-W230 HydrophobicContact CZ3-CE3 3.85Å; W228-W230 HydrophobicContact CZ3-CG 4.21Å; W228-W230 HydrophobicContact CZ3-CH2 4.01Å; W228-W230 AromaticContact CZ3-CZ2 3.91Å; W228-W230 HydrophobicContact CZ3-CZ2 3.91Å; W228-W230 AromaticContact CZ3-CZ3 3.98Å; W228-W230 HydrophobicContact CZ3-CZ3 3.98Å; W230-L283 HydrophobicContact CH2-CD1 3.92Å; W230-L283 HydrophobicContact CZ3-CD1 3.72Å; W230-C299 WeakPolarHBondContact CA-O 3.47Å; W230-R301 HydrophobicContact CH2-CG 3.9Å; W230-R301 HydrophobicContact CZ3-CG 3.76Å
231	G	88.4	Confident	82.4	Confident	16 Å²	16	70.5 Å²	70.5	17%	0.165	36%	0.362	C	S	.	.			trans	-142	170.9	172.1	0	0	0	0	0	110.8	E229 C299 W300	E229-G231 PolarHBondContact O-N 3.38Å; G231-C299 PolarHBondContact N-O 3.16Å; G231-C299 CarbonylContact O-C 3.45Å; G231-W300 VanDerWaalsContact O-CB 3.29Å; G231-W300 WeakPolarHBondContact O-CB 3.45Å
232	G	89.8	Confident	84.5	Confident	74 Å²	74	73.5 Å²	73.5	76%	0.763	37%	0.368	S	S	*	.	S	Bend	trans	64.6	-163.9	177.4	0	0	0	0	0	114.8
233	C	93.7	Very high	86.5	Confident	39 Å²	39	64.9 Å²	64.9	26%	0.264	33%	0.331	S	S	.	.			trans	-95.8	112	179.7	-178.6	0	0	0	0	110.8	C210	C210-C233 HydrophobicContact CB-CB 4.06Å; C210-C233 WeakPolarHBondContact CB-SG 3.31Å; C210-C233 VanDerWaalsContact SG-CA 3.59Å; C210-C233 WeakPolarHBondContact SG-CB 3.38Å; C210-C233 CovalentContact SG-SG 2.02Å; C210-C233 PolarHBondContact SG-SG 2.86Å
234	S	94.9	Very high	88.5	Confident	6 Å²	6	54 Å²	54	4%	0.042	29%	0.29	C	S	.	.			trans	-80.8	120.4	166.4	-72.1	0	0	0	0	110	C210 D211 D236 R301	C210-S234 CarbonylContact C-O 3.49Å; C210-S234 VanDerWaalsContact CA-O 3.32Å; C210-S234 WeakPolarHBondContact CA-O 3.22Å; C210-S234 WeakPolarHBondContact CB-O 3.12Å; D211-S234 PolarHBondContact N-O 2.93Å; S234-D236 PolarHBondContact O-N 3.03Å; S234-R301 CarbonylContact C-O 2.85Å; S234-R301 WeakPolarHBondContact CA-O 3.41Å; S234-R301 PolarHBondContact OG-N 3.2Å
235	E	95.9	Very high	90.4	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.028	29%	0.29	C	S	.	.			trans	-69.6	125.2	-174.9	-58.9	-176.4	151.4	0	0	111.6	T197 R198 S201 V237 R301 R302 M303	T197-E235 HydrophobicContact CG2-CB 3.8Å; R198-E235 IonicContact CZ-OE1 2.71Å; R198-E235 IonicContact NH1-OE1 3.73Å; R198-E235 PolarHBondContact NH1-OE1 3.24Å; S201-E235 WeakPolarHBondContact OG-CG 3.44Å; E235-V237 PolarHBondContact O-N 3.45Å; E235-V237 VanDerWaalsContact O-N 3.11Å; E235-R301 PolarHBondContact N-O 2.91Å; E235-R302 HydrophobicContact CG-CG 4.42Å; E235-R302 WeakPolarHBondContact OE2-CA 3.29Å; E235-R302 VanDerWaalsContact OE2-CG 3.29Å; E235-R302 WeakPolarHBondContact OE2-CG 3.26Å; E235-M303 WeakPolarHBondContact OE2-CE 3.37Å; E235-M303 WeakPolarHBondContact OE2-CG 3.42Å; E235-M303 PolarHBondContact OE2-N 2.97Å
236	D	96.5	Very high	92.1	Very high	27 Å²	27	48.2 Å²	48.2	14%	0.144	27%	0.265	C	S	.	.			trans	-82.5	86.2	178	-171	-0.3	0	0	0	111.8	T197 D211 S234 N238 F239 G240	T197-D236 PolarHBondContact OG1-O 3.18Å; T197-D236 VanDerWaalsContact OG1-O 3.09Å; D211-D236 HydrophobicContact CB-CB 3.93Å; S234-D236 PolarHBondContact O-N 3.03Å; D236-N238 VanDerWaalsContact C-N 3.26Å; D236-N238 PolarHBondContact O-N 3.3Å; D236-N238 WeakPolarHBondContact OD1-CA 3.39Å; D236-N238 WeakPolarHBondContact OD1-CB 3.44Å; D236-N238 PolarHBondContact OD1-N 3Å; D236-F239 HydrophobicContact CB-CB 4.22Å; D236-F239 PolarHBondContact O-N 2.89Å; D236-F239 PolarHBondContact OD1-N 2.93Å; D236-F239 VanDerWaalsContact OD1-N 3.1Å; D236-F239 WeakPolarHBondContact OD2-CB 3.27Å; D236-G240 PolarHBondContact O-N 3.33Å
237	V	96.7	Very high	93.3	Very high	5 Å²	5	46 Å²	46	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-31.1	173.9	177.2	0	0	0	0	112.2	T197 E235 F239 G240 E241 I277 R278 M281 M303	T197-V237 HydrophobicContact CG2-CG2 4.03Å; T197-V237 WeakPolarHBondContact OG1-CA 3.5Å; E235-V237 PolarHBondContact O-N 3.45Å; E235-V237 VanDerWaalsContact O-N 3.11Å; V237-F239 VanDerWaalsContact C-N 3.3Å; V237-F239 PolarHBondContact O-N 3.43Å; V237-G240 PolarHBondContact O-N 3.07Å; V237-E241 HydrophobicContact CG1-CG 3.96Å; V237-E241 WeakPolarHBondContact O-CB 3.31Å; V237-E241 WeakPolarHBondContact O-CG 3.3Å; V237-E241 PolarHBondContact O-N 3.47Å; V237-I277 HydrophobicContact CG1-CB 4.09Å; V237-I277 HydrophobicContact CG1-CG2 3.74Å; V237-I277 HydrophobicContact CG2-CG2 3.91Å; V237-R278 HydrophobicContact CB-CG 4.24Å; V237-R278 HydrophobicContact CG1-CG 3.53Å; V237-M281 HydrophobicContact CG2-CE 3.63Å; V237-M281 HydrophobicContact CG2-CG 4.34Å; V237-M281 HydrophobicContact CG2-SD 3.37Å; V237-M281 WeakPolarHBondContact CG2-SD 3.09Å; V237-M303 HydrophobicContact CG2-CG 3.52Å; V237-M303 HydrophobicContact CG2-SD 3.89Å
238	N	96.3	Very high	94.1	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.251	20%	0.203	S	C	.	.	H	α-helix	trans	-66.7	-37.3	-178.2	-58.2	-54.4	0	0	0	110.9	R217 D236 R242	R217-N238 PolarHBondContact NH2-ND2 3.18Å; D236-N238 VanDerWaalsContact C-N 3.26Å; D236-N238 PolarHBondContact O-N 3.3Å; D236-N238 WeakPolarHBondContact OD1-CA 3.39Å; D236-N238 WeakPolarHBondContact OD1-CB 3.44Å; D236-N238 PolarHBondContact OD1-N 3Å; N238-R242 WeakPolarHBondContact O-CG 3.42Å; N238-R242 PolarHBondContact O-N 3.14Å; N238-R242 VanDerWaalsContact O-N 3.13Å
239	F	96.9	Very high	94.4	Very high	46 Å²	46	37 Å²	37	20%	0.202	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-50.5	172.3	-177.3	-85.6	0	0	0	111.7	I196 C200 C208 D236 V237 E241 R242 L243	I196-F239 HydrophobicContact CG2-CD1 4.2Å; I196-F239 HydrophobicContact CG2-CE1 4.12Å; C200-F239 WeakPolarHBondContact SG-CD1 3.27Å; C200-F239 WeakPolarHBondContact SG-CE1 2.91Å; C208-F239 HydrophobicContact CB-CD1 3.72Å; C208-F239 HydrophobicContact CB-CD2 3.99Å; C208-F239 HydrophobicContact CB-CE1 3.46Å; C208-F239 VanDerWaalsContact CB-CE1 3.46Å; C208-F239 HydrophobicContact CB-CE2 3.75Å; C208-F239 HydrophobicContact CB-CG 4Å; C208-F239 HydrophobicContact CB-CZ 3.49Å; C208-F239 VanDerWaalsContact CB-CZ 3.49Å; D236-F239 HydrophobicContact CB-CB 4.22Å; D236-F239 PolarHBondContact O-N 2.89Å; D236-F239 PolarHBondContact OD1-N 2.93Å; D236-F239 VanDerWaalsContact OD1-N 3.1Å; D236-F239 WeakPolarHBondContact OD2-CB 3.27Å; V237-F239 VanDerWaalsContact C-N 3.3Å; V237-F239 PolarHBondContact O-N 3.43Å; F239-E241 VanDerWaalsContact C-N 3.32Å; F239-E241 PolarHBondContact O-N 3.45Å; F239-R242 PolarHBondContact O-N 2.75Å; F239-R242 VanDerWaalsContact O-N 3.15Å; F239-L243 HydrophobicContact CE1-CB 4.48Å; F239-L243 HydrophobicContact CE1-CD2 4.19Å; F239-L243 PolarHBondContact O-N 3.2Å
240	G	97.5	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-37.3	179.4	0	0	0	0	0	113.4	T197 D236 V237 R242 S244	T197-G240 VanDerWaalsContact OG1-CA 3.31Å; T197-G240 WeakPolarHBondContact OG1-CA 3.2Å; D236-G240 PolarHBondContact O-N 3.33Å; V237-G240 PolarHBondContact O-N 3.07Å; G240-R242 PolarHBondContact O-N 3.49Å; G240-S244 WeakPolarHBondContact O-CB 3.32Å; G240-S244 PolarHBondContact O-N 3.27Å
241	E	98	Very high	94.1	Very high	17 Å²	17	30.2 Å²	30.2	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-40.7	173.9	-74.9	-168.7	171.2	0	0	112.8	V237 F239 K245 R274 R278	V237-E241 HydrophobicContact CG1-CG 3.96Å; V237-E241 WeakPolarHBondContact O-CB 3.31Å; V237-E241 WeakPolarHBondContact O-CG 3.3Å; V237-E241 PolarHBondContact O-N 3.47Å; F239-E241 VanDerWaalsContact C-N 3.32Å; F239-E241 PolarHBondContact O-N 3.45Å; E241-K245 WeakPolarHBondContact O-CB 3.37Å; E241-K245 PolarHBondContact O-N 2.95Å; E241-R274 HydrophobicContact CB-CG 4.48Å; E241-R274 HydrophobicContact CG-CB 3.81Å; E241-R274 HydrophobicContact CG-CG 4.07Å; E241-R274 WeakPolarHBondContact O-CD 3.34Å; E241-R274 PolarHBondContact O-NH1 3.21Å; E241-R278 VanDerWaalsContact OE1-CD 3.29Å; E241-R278 WeakPolarHBondContact OE1-CD 3.49Å; E241-R278 VanDerWaalsContact OE1-CG 3.26Å; E241-R278 WeakPolarHBondContact OE1-CG 3.05Å; E241-R278 IonicContact OE1-CZ 3.69Å; E241-R278 IonicContact OE1-NE 3.13Å; E241-R278 PolarHBondContact OE1-NE 3Å; E241-R278 IonicContact OE1-NH2 2.83Å; E241-R278 PolarHBondContact OE1-NH2 3.45Å; E241-R278 IonicContact OE2-CZ 2.69Å; E241-R278 IonicContact OE2-NE 3.34Å; E241-R278 PolarHBondContact OE2-NE 3.3Å; E241-R278 IonicContact OE2-NH2 3.8Å; E241-R278 PolarHBondContact OE2-NH2 3.49Å
242	R	97.4	Very high	93.8	Very high	139 Å²	139	30.5 Å²	30.5	53%	0.525	17%	0.167	S	C	.	.	H	α-helix	trans	-65.5	-48.9	177.7	-75.5	-172.9	-60	-102.2	0.9	111	N238 F239 G240 K245 D246	N238-R242 WeakPolarHBondContact O-CG 3.42Å; N238-R242 PolarHBondContact O-N 3.14Å; N238-R242 VanDerWaalsContact O-N 3.13Å; F239-R242 PolarHBondContact O-N 2.75Å; F239-R242 VanDerWaalsContact O-N 3.15Å; G240-R242 PolarHBondContact O-N 3.49Å; R242-K245 WeakPolarHBondContact O-CA 3.27Å; R242-K245 WeakPolarHBondContact O-CB 3.45Å; R242-K245 PolarHBondContact O-N 3.4Å; R242-D246 PolarHBondContact O-N 3.18Å
243	L	96.6	Very high	93.6	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-37.6	-179.1	-173.5	60.5	0	0	0	112.1	L56 M63 I196 F239 K245 D246 F247	L56-L243 HydrophobicContact CD2-CD1 3.82Å; M63-L243 HydrophobicContact CE-CD2 3.81Å; M63-L243 HydrophobicContact SD-CD2 4.02Å; I196-L243 HydrophobicContact CD1-CB 4.02Å; I196-L243 HydrophobicContact CD1-CD2 3.91Å; I196-L243 HydrophobicContact CD1-CG 3.81Å; I196-L243 HydrophobicContact CG1-CD2 4.24Å; I196-L243 HydrophobicContact CG2-CB 4.17Å; I196-L243 HydrophobicContact CG2-CD2 3.73Å; I196-L243 HydrophobicContact CG2-CG 4.42Å; F239-L243 HydrophobicContact CE1-CB 4.48Å; F239-L243 HydrophobicContact CE1-CD2 4.19Å; F239-L243 PolarHBondContact O-N 3.2Å; L243-K245 VanDerWaalsContact C-N 3.26Å; L243-K245 PolarHBondContact O-N 3.21Å; L243-D246 PolarHBondContact O-N 3Å; L243-F247 WeakPolarHBondContact O-CB 3.31Å; L243-F247 PolarHBondContact O-N 3.37Å
244	S	97.5	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-36.2	168.7	172.8	0	0	0	0	111.5	A189 G240 F247 V248	A189-S244 PolarHBondContact O-OG 2.86Å; G240-S244 WeakPolarHBondContact O-CB 3.32Å; G240-S244 PolarHBondContact O-N 3.27Å; S244-F247 PolarHBondContact O-N 3.49Å; S244-V248 WeakPolarHBondContact O-CB 3.11Å; S244-V248 VanDerWaalsContact O-CG2 3.31Å; S244-V248 WeakPolarHBondContact O-CG2 3.36Å; S244-V248 PolarHBondContact O-N 2.65Å
245	K	96.8	Very high	90.6	Very high	88 Å²	88	43.2 Å²	43.2	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-55.7	-57.6	171.7	-152.7	172.7	-178.2	61.3	0	111.1	E241 R242 L243 F247 D249 E271	E241-K245 WeakPolarHBondContact O-CB 3.37Å; E241-K245 PolarHBondContact O-N 2.95Å; R242-K245 WeakPolarHBondContact O-CA 3.27Å; R242-K245 WeakPolarHBondContact O-CB 3.45Å; R242-K245 PolarHBondContact O-N 3.4Å; L243-K245 VanDerWaalsContact C-N 3.26Å; L243-K245 PolarHBondContact O-N 3.21Å; K245-F247 PolarHBondContact O-N 3.01Å; K245-D249 WeakPolarHBondContact CG-OD2 3.03Å; K245-D249 IonicContact NZ-OD2 3.81Å; K245-D249 WeakPolarHBondContact O-CB 3.03Å; K245-D249 PolarHBondContact O-N 3.48Å; K245-E271 IonicContact NZ-OE2 3Å
246	D	94.8	Very high	88.9	Confident	64 Å²	64	46.6 Å²	46.6	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-37.8	-173.2	-76.9	16.5	0	0	0	110.3	R52 L56 R242 L243 S250	R52-D246 IonicContact CZ-OD2 2.95Å; R52-D246 IonicContact NH2-OD2 3.95Å; R52-D246 PolarHBondContact NH2-OD2 3.41Å; L56-D246 HydrophobicContact CD1-CB 3.7Å; L56-D246 WeakPolarHBondContact CD1-O 3.21Å; L56-D246 HydrophobicContact CD2-CB 4.19Å; R242-D246 PolarHBondContact O-N 3.18Å; L243-D246 PolarHBondContact O-N 3Å; D246-S250 PolarHBondContact O-OG 3.42Å
247	F	93.5	Very high	87.2	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-79.9	-55.6	-179.5	-167.2	-84	0	0	0	113.4	W20 L23 L49 Q53 L56 V67 L243 S244 K245 S250	W20-F247 HydrophobicContact CB-CE1 3.74Å; W20-F247 HydrophobicContact CB-CZ 4.03Å; W20-F247 HydrophobicContact CD2-CD1 4.22Å; W20-F247 AromaticContact CD2-CE1 3.61Å; W20-F247 HydrophobicContact CD2-CE1 3.61Å; W20-F247 HydrophobicContact CE3-CD1 4.33Å; W20-F247 AromaticContact CE3-CE1 3.63Å; W20-F247 HydrophobicContact CE3-CE1 3.63Å; W20-F247 HydrophobicContact CG-CD1 4.49Å; W20-F247 AromaticContact CG-CE1 3.71Å; W20-F247 HydrophobicContact CG-CE1 3.71Å; W20-F247 HydrophobicContact CG-CZ 4.47Å; W20-F247 HydrophobicContact CZ3-CE1 4.33Å; L23-F247 HydrophobicContact CD1-CE1 4.5Å; L23-F247 HydrophobicContact CD1-CZ 4.04Å; L49-F247 HydrophobicContact CD2-CZ 4.41Å; Q53-F247 HydrophobicContact CB-CD2 4.27Å; Q53-F247 HydrophobicContact CB-CE2 3.84Å; Q53-F247 HydrophobicContact CB-CZ 4.18Å; Q53-F247 HydrophobicContact CG-CD1 4.38Å; Q53-F247 HydrophobicContact CG-CD2 4Å; Q53-F247 HydrophobicContact CG-CE1 4.23Å; Q53-F247 HydrophobicContact CG-CE2 3.87Å; Q53-F247 HydrophobicContact CG-CG 4.25Å; Q53-F247 HydrophobicContact CG-CZ 3.99Å; Q53-F247 WeakPolarHBondContact CG-O 3.11Å; Q53-F247 PolarHBondContact NE2-O 2.77Å; L56-F247 HydrophobicContact CB-CD2 4.18Å; L56-F247 HydrophobicContact CD1-CB 3.85Å; L56-F247 HydrophobicContact CD1-CD2 4.06Å; L56-F247 HydrophobicContact CD1-CG 4.43Å; V67-F247 HydrophobicContact CG1-CD1 3.86Å; V67-F247 HydrophobicContact CG1-CE1 3.45Å; V67-F247 VanDerWaalsContact CG1-CE1 3.45Å; V67-F247 HydrophobicContact CG1-CE2 4.48Å; V67-F247 HydrophobicContact CG1-CZ 3.81Å; V67-F247 HydrophobicContact CG2-CD1 4.45Å; V67-F247 HydrophobicContact CG2-CD2 4.34Å; V67-F247 HydrophobicContact CG2-CE2 4.41Å; V67-F247 HydrophobicContact CG2-CG 4.37Å; L243-F247 WeakPolarHBondContact O-CB 3.31Å; L243-F247 PolarHBondContact O-N 3.37Å; S244-F247 PolarHBondContact O-N 3.49Å; K245-F247 PolarHBondContact O-N 3.01Å; F247-S250 WeakPolarHBondContact O-CB 3.19Å
248	V	92.7	Very high	85.8	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-73.7	-41	-170.4	174.4	0	0	0	0	111.8	W20 W21 A189 V192 S244 S250	W20-V248 HydrophobicContact CH2-CG2 3.77Å; W20-V248 HydrophobicContact CZ2-CB 3.91Å; W20-V248 HydrophobicContact CZ2-CG1 3.65Å; W20-V248 HydrophobicContact CZ2-CG2 3.52Å; W21-V248 HydrophobicContact CH2-CG1 4.47Å; W21-V248 HydrophobicContact CZ2-CG1 4.45Å; A189-V248 HydrophobicContact CB-CG1 4.12Å; V192-V248 HydrophobicContact CB-CG2 4Å; V192-V248 HydrophobicContact CG1-CG2 4Å; V192-V248 HydrophobicContact CG2-CG2 4.05Å; S244-V248 WeakPolarHBondContact O-CB 3.11Å; S244-V248 VanDerWaalsContact O-CG2 3.31Å; S244-V248 WeakPolarHBondContact O-CG2 3.36Å; S244-V248 PolarHBondContact O-N 2.65Å; V248-S250 VanDerWaalsContact C-N 3.27Å; V248-S250 PolarHBondContact O-N 2.91Å
249	D	92.6	Very high	84.8	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-12.4	-176.3	-61.5	-15.7	0	0	0	112.4	K245 N251 E252 L253 L267 N270 R274	K245-D249 WeakPolarHBondContact CG-OD2 3.03Å; K245-D249 IonicContact NZ-OD2 3.81Å; K245-D249 WeakPolarHBondContact O-CB 3.03Å; K245-D249 PolarHBondContact O-N 3.48Å; D249-N251 PolarHBondContact O-N 2.69Å; D249-N251 VanDerWaalsContact O-N 3.14Å; D249-E252 PolarHBondContact O-N 3.46Å; D249-L253 HydrophobicContact CB-CD1 4Å; D249-L253 HydrophobicContact CB-CG 4.32Å; D249-L253 VanDerWaalsContact O-CG 3.32Å; D249-L253 WeakPolarHBondContact O-CG 3.27Å; D249-L253 PolarHBondContact O-N 2.93Å; D249-L267 HydrophobicContact CB-CD2 3.53Å; D249-N270 WeakPolarHBondContact OD1-CB 3.33Å; D249-N270 PolarHBondContact OD1-ND2 2.83Å; D249-R274 IonicContact OD1-NH2 2.99Å; D249-R274 PolarHBondContact OD1-NH2 3.07Å; D249-R274 IonicContact OD2-CZ 2.91Å; D249-R274 IonicContact OD2-NH1 3.48Å; D249-R274 IonicContact OD2-NH2 3.92Å; D249-R274 PolarHBondContact OD2-NH2 3.39Å
250	S	89.6	Confident	84.2	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.091	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.9	-177.1	-87.5	0	0	0	0	113.9	R52 D246 F247 V248 A254	R52-S250 VanDerWaalsContact CB-OG 3.3Å; R52-S250 WeakPolarHBondContact CB-OG 3.47Å; R52-S250 WeakPolarHBondContact CG-OG 3.5Å; D246-S250 PolarHBondContact O-OG 3.42Å; F247-S250 WeakPolarHBondContact O-CB 3.19Å; V248-S250 VanDerWaalsContact C-N 3.27Å; V248-S250 PolarHBondContact O-N 2.91Å; S250-A254 PolarHBondContact O-N 2.99Å
251	N	79.9	Confident	83.8	Confident	23 Å²	23	58 Å²	58	12%	0.123	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-40.4	179.4	-71	20.3	0	0	0	111.6	N19 V50 Q53 D249 L253 A254	N19-N251 PolarHBondContact OD1-ND2 2.73Å; V50-N251 VanDerWaalsContact CG1-OD1 3.23Å; V50-N251 WeakPolarHBondContact CG1-OD1 3.32Å; V50-N251 VanDerWaalsContact CG2-OD1 3.3Å; V50-N251 WeakPolarHBondContact CG2-OD1 3.4Å; Q53-N251 PolarHBondContact NE2-OD1 3.27Å; Q53-N251 PolarHBondContact OE1-OD1 3.18Å; D249-N251 PolarHBondContact O-N 2.69Å; D249-N251 VanDerWaalsContact O-N 3.14Å; N251-L253 VanDerWaalsContact C-N 3.32Å; N251-L253 PolarHBondContact O-N 3.37Å; N251-A254 VanDerWaalsContact O-CB 3.32Å; N251-A254 WeakPolarHBondContact O-CB 3.44Å; N251-A254 PolarHBondContact O-N 3.3Å
252	E	83.1	Confident	83.3	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.103	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-34.4	179.5	-56.2	-56.8	164.8	0	0	111.7	H185 D249 A254 K263 N266 L267	H185-E252 IonicContact CE1-OE1 3.76Å; D249-E252 PolarHBondContact O-N 3.46Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 2.96Å; E252-K263 WeakPolarHBondContact O-CD 3.41Å; E252-K263 PolarHBondContact O-NZ 3.26Å; E252-K263 WeakPolarHBondContact OE2-CA 3.25Å; E252-N266 VanDerWaalsContact CD-ND2 3.3Å; E252-N266 HydrophobicContact CG-CB 3.92Å; E252-N266 WeakPolarHBondContact OE1-CB 3.35Å; E252-N266 PolarHBondContact OE1-ND2 3.21Å; E252-N266 PolarHBondContact OE2-ND2 3.26Å; E252-L267 HydrophobicContact CB-CD1 4.33Å; E252-L267 HydrophobicContact CB-CD2 3.76Å; E252-L267 HydrophobicContact CB-CG 3.79Å; E252-L267 HydrophobicContact CG-CD2 4.38Å; E252-L267 HydrophobicContact CG-CG 4.41Å
253	L	83.6	Confident	82.8	Confident	99 Å²	99	53 Å²	53	52%	0.518	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.8	177.6	-64.3	173.4	0	0	0	113.7	D249 N251 L267	D249-L253 HydrophobicContact CB-CD1 4Å; D249-L253 HydrophobicContact CB-CG 4.32Å; D249-L253 VanDerWaalsContact O-CG 3.32Å; D249-L253 WeakPolarHBondContact O-CG 3.27Å; D249-L253 PolarHBondContact O-N 2.93Å; N251-L253 VanDerWaalsContact C-N 3.32Å; N251-L253 PolarHBondContact O-N 3.37Å; L253-L267 HydrophobicContact CD2-CD1 4.04Å; L253-L267 HydrophobicContact CD2-CD2 4.28Å; L253-L267 HydrophobicContact CG-CD2 4.31Å
254	A	70	Confident	82.6	Confident	43 Å²	43	54 Å²	54	36%	0.355	28%	0.277	S	S	.	.	S	Bend	trans	-60.7	140	179.5	0	0	0	0	0	111.7	S250 N251 E252 S256 K263	S250-A254 PolarHBondContact O-N 2.99Å; N251-A254 VanDerWaalsContact O-CB 3.32Å; N251-A254 WeakPolarHBondContact O-CB 3.44Å; N251-A254 PolarHBondContact O-N 3.3Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 2.96Å; A254-S256 VanDerWaalsContact C-N 3.27Å; A254-S256 PolarHBondContact O-N 3.12Å; A254-K263 PolarHBondContact O-NZ 3.33Å
255	R	55.9	Low	82.4	Confident	243 Å²	243	54 Å²	54	92%	0.917	28%	0.277	S	S	*	.	S	Bend	trans	-56.7	-17.5	-158.3	-73	-177.6	169.3	123.7	-2.3	118.2	W257	R255-W257 PolarHBondContact O-N 2.86Å
256	S	61.8	Low	82.2	Confident	78 Å²	78	49.9 Å²	49.9	55%	0.545	26%	0.259	S	S	.	.			trans	-76	99	179.3	-170.4	0	0	0	0	110.9	A254 K263	A254-S256 VanDerWaalsContact C-N 3.27Å; A254-S256 PolarHBondContact O-N 3.12Å; S256-K263 WeakPolarHBondContact O-CE 3.22Å; S256-K263 PolarHBondContact O-NZ 2.85Å
257	W	60.5	Low	82.2	Confident	109 Å²	109	48.2 Å²	48.2	41%	0.413	25%	0.25	S	S	.	.			trans	-99.9	27.9	179.5	-84.3	99.9	0	0	0	112.8	R255 D259 P260 K263 L264	R255-W257 PolarHBondContact O-N 2.86Å; W257-D259 PolarHBondContact O-N 3.25Å; W257-P260 HydrophobicContact CE3-CB 3.34Å; W257-P260 VanDerWaalsContact CZ3-CA 3.44Å; W257-P260 HydrophobicContact CZ3-CB 3.44Å; W257-P260 VanDerWaalsContact CZ3-CB 3.44Å; W257-K263 HydrophobicContact CD2-CD 4.37Å; W257-K263 HydrophobicContact CE3-CD 4.13Å; W257-K263 HydrophobicContact CH2-CB 4.1Å; W257-K263 HydrophobicContact CZ3-CB 3.92Å; W257-K263 HydrophobicContact CZ3-CD 4.3Å; W257-L264 HydrophobicContact CH2-CD2 3.96Å; W257-L264 HydrophobicContact CH2-CG 4.01Å; W257-L264 HydrophobicContact CZ3-CD2 4.39Å; W257-L264 HydrophobicContact CZ3-CG 3.97Å
258	T	67.8	Low	82.4	Confident	133 Å²	133	50.3 Å²	50.3	82%	0.816	26%	0.26	S	S	*	.	S	Bend	trans	-58.3	-30.1	-179.7	52.4	0	0	0	0	113
259	D	73.4	Confident	82.6	Confident	90 Å²	90	50.1 Å²	50.1	48%	0.481	26%	0.259	S	S	.	.	S	Bend	trans	-131.5	95.3	169.3	-173.8	6.8	0	0	0	110.4	W257 A261 P262	W257-D259 PolarHBondContact O-N 3.25Å; D259-A261 VanDerWaalsContact C-N 3.33Å; D259-A261 PolarHBondContact O-N 3.42Å; D259-A261 PolarHBondContact OD1-N 3.27Å; D259-P262 WeakPolarHBondContact OD1-CD 3.3Å; D259-P262 VanDerWaalsContact OD2-CD 3.32Å; D259-P262 WeakPolarHBondContact OD2-CD 3.39Å; D259-P262 WeakPolarHBondContact OD2-CG 3.25Å
260	P	84.6	Confident	82.9	Confident	21 Å²	21	50.1 Å²	50.1	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-24.6	-176.9	26.4	-34.4	0	0	0	114.3	W257 K263 L264 F325	W257-P260 HydrophobicContact CE3-CB 3.34Å; W257-P260 VanDerWaalsContact CZ3-CA 3.44Å; W257-P260 HydrophobicContact CZ3-CB 3.44Å; W257-P260 VanDerWaalsContact CZ3-CB 3.44Å; P260-K263 PolarHBondContact O-N 2.97Å; P260-L264 HydrophobicContact CB-CD1 4.39Å; P260-L264 WeakPolarHBondContact O-CB 3.47Å; P260-L264 WeakPolarHBondContact O-CG 3.26Å; P260-L264 PolarHBondContact O-N 3.22Å; P260-F325 HydrophobicContact CB-CD2 4.48Å; P260-F325 HydrophobicContact CB-CE2 3.82Å; P260-F325 HydrophobicContact CB-CZ 3.85Å; P260-F325 HydrophobicContact CG-CD1 4.08Å; P260-F325 HydrophobicContact CG-CD2 4.2Å; P260-F325 HydrophobicContact CG-CE1 3.49Å; P260-F325 VanDerWaalsContact CG-CE1 3.49Å; P260-F325 HydrophobicContact CG-CE2 3.65Å; P260-F325 HydrophobicContact CG-CG 4.4Å; P260-F325 HydrophobicContact CG-CZ 3.26Å
261	A	89.9	Confident	83.3	Confident	11 Å²	11	51.2 Å²	51.2	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-49.8	-168.4	0	0	0	0	0	112.3	D259 K263 L264 M265 F325 L350	D259-A261 VanDerWaalsContact C-N 3.33Å; D259-A261 PolarHBondContact O-N 3.42Å; D259-A261 PolarHBondContact OD1-N 3.27Å; A261-K263 VanDerWaalsContact C-N 3.33Å; A261-K263 PolarHBondContact O-N 3.49Å; A261-L264 PolarHBondContact O-N 2.89Å; A261-M265 WeakPolarHBondContact O-CB 3.05Å; A261-M265 PolarHBondContact O-N 3.4Å; A261-F325 HydrophobicContact CB-CB 3.64Å; A261-F325 HydrophobicContact CB-CD2 4.33Å; A261-F325 HydrophobicContact CB-CG 4.09Å; A261-L350 HydrophobicContact CB-CD1 3.77Å; A261-L350 HydrophobicContact CB-CD2 4.12Å
262	P	86.9	Confident	84.2	Confident	19 Å²	19	50.1 Å²	50.1	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-41.8	178.3	-23.8	35.3	0	0	0	112.3	D259 M265 N266 L350	D259-P262 WeakPolarHBondContact OD1-CD 3.3Å; D259-P262 VanDerWaalsContact OD2-CD 3.32Å; D259-P262 WeakPolarHBondContact OD2-CD 3.39Å; D259-P262 WeakPolarHBondContact OD2-CG 3.25Å; P262-M265 WeakPolarHBondContact O-CB 3.35Å; P262-M265 PolarHBondContact O-N 3.35Å; P262-N266 WeakPolarHBondContact O-CB 3.45Å; P262-N266 PolarHBondContact O-N 3.38Å; P262-N266 PolarHBondContact O-OD1 2.82Å; P262-L350 HydrophobicContact CG-CD1 4.34Å
263	K	87.6	Confident	84.9	Confident	32 Å²	32	49.1 Å²	49.1	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-47.1	179.7	-66.4	-177.3	155.4	-155.6	0	112.1	E252 A254 S256 W257 P260 A261 M265 N266 L267	E252-K263 WeakPolarHBondContact O-CD 3.41Å; E252-K263 PolarHBondContact O-NZ 3.26Å; E252-K263 WeakPolarHBondContact OE2-CA 3.25Å; A254-K263 PolarHBondContact O-NZ 3.33Å; S256-K263 WeakPolarHBondContact O-CE 3.22Å; S256-K263 PolarHBondContact O-NZ 2.85Å; W257-K263 HydrophobicContact CD2-CD 4.37Å; W257-K263 HydrophobicContact CE3-CD 4.13Å; W257-K263 HydrophobicContact CH2-CB 4.1Å; W257-K263 HydrophobicContact CZ3-CB 3.92Å; W257-K263 HydrophobicContact CZ3-CD 4.3Å; P260-K263 PolarHBondContact O-N 2.97Å; A261-K263 VanDerWaalsContact C-N 3.33Å; A261-K263 PolarHBondContact O-N 3.49Å; K263-M265 VanDerWaalsContact C-N 3.27Å; K263-M265 PolarHBondContact O-N 2.81Å; K263-N266 PolarHBondContact O-N 3.14Å; K263-L267 WeakPolarHBondContact O-CB 3.41Å; K263-L267 VanDerWaalsContact O-CG 3.23Å; K263-L267 WeakPolarHBondContact O-CG 3.41Å; K263-L267 PolarHBondContact O-N 3.16Å
264	L	92.8	Very high	85.6	Confident	41 Å²	41	44.5 Å²	44.5	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-36.3	176.1	-72.4	170.8	0	0	0	112.1	W257 P260 A261 H268 F325 L332	W257-L264 HydrophobicContact CH2-CD2 3.96Å; W257-L264 HydrophobicContact CH2-CG 4.01Å; W257-L264 HydrophobicContact CZ3-CD2 4.39Å; W257-L264 HydrophobicContact CZ3-CG 3.97Å; P260-L264 HydrophobicContact CB-CD1 4.39Å; P260-L264 WeakPolarHBondContact O-CB 3.47Å; P260-L264 WeakPolarHBondContact O-CG 3.26Å; P260-L264 PolarHBondContact O-N 3.22Å; A261-L264 PolarHBondContact O-N 2.89Å; L264-H268 WeakPolarHBondContact O-CB 3.39Å; L264-H268 PolarHBondContact O-N 3.13Å; L264-F325 HydrophobicContact CD1-CD2 3.96Å; L264-F325 HydrophobicContact CD1-CE2 3.63Å; L264-L332 HydrophobicContact CB-CD1 3.93Å; L264-L332 HydrophobicContact CB-CD2 4.35Å; L264-L332 HydrophobicContact CB-CG 3.96Å
265	M	93.2	Very high	87	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-48.8	176.6	-179.5	-157.3	71	0	0	110.2	N177 K181 A261 P262 K263 L267 H268 N269 L332 V348 L350	N177-M265 HydrophobicContact CB-CE 3.85Å; N177-M265 HydrophobicContact CB-SD 3.67Å; K181-M265 HydrophobicContact CD-CE 3.86Å; K181-M265 HydrophobicContact CG-CE 3.92Å; A261-M265 WeakPolarHBondContact O-CB 3.05Å; A261-M265 PolarHBondContact O-N 3.4Å; P262-M265 WeakPolarHBondContact O-CB 3.35Å; P262-M265 PolarHBondContact O-N 3.35Å; K263-M265 VanDerWaalsContact C-N 3.27Å; K263-M265 PolarHBondContact O-N 2.81Å; M265-L267 PolarHBondContact O-N 2.96Å; M265-H268 PolarHBondContact O-N 2.89Å; M265-N269 VanDerWaalsContact O-CG 3.3Å; M265-N269 PolarHBondContact O-N 3.09Å; M265-N269 PolarHBondContact O-ND2 2.77Å; M265-L332 HydrophobicContact CB-CD1 4.23Å; M265-V348 HydrophobicContact CG-CG2 4.09Å; M265-V348 VanDerWaalsContact CG-O 3.27Å; M265-V348 WeakPolarHBondContact CG-O 3.04Å; M265-L350 HydrophobicContact CB-CD1 4.24Å; M265-L350 HydrophobicContact CB-CG 4.4Å; M265-L350 HydrophobicContact CG-CG 4.44Å; M265-L350 HydrophobicContact SD-CB 4.4Å; M265-L350 HydrophobicContact SD-CD1 4.03Å; M265-L350 HydrophobicContact SD-CG 3.88Å
266	N	92.4	Very high	89	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-48.7	177.2	-69	-0.6	0	0	0	111.3	D145 K181 H185 E252 P262 K263 H268 N269 N270	D145-N266 PolarHBondContact OD2-ND2 2.9Å; K181-N266 WeakPolarHBondContact CE-OD1 3.36Å; H185-N266 PolarHBondContact CD2-OD1 3.11Å; H185-N266 PolarHBondContact CE1-ND2 2.59Å; H185-N266 VanDerWaalsContact CE1-ND2 3.33Å; H185-N266 PolarHBondContact NE2-ND2 3.3Å; H185-N266 VanDerWaalsContact NE2-ND2 3.14Å; H185-N266 PolarHBondContact NE2-OD1 3.01Å; H185-N266 VanDerWaalsContact NE2-OD1 3.13Å; E252-N266 VanDerWaalsContact CD-ND2 3.3Å; E252-N266 HydrophobicContact CG-CB 3.92Å; E252-N266 WeakPolarHBondContact OE1-CB 3.35Å; E252-N266 PolarHBondContact OE1-ND2 3.21Å; E252-N266 PolarHBondContact OE2-ND2 3.26Å; P262-N266 WeakPolarHBondContact O-CB 3.45Å; P262-N266 PolarHBondContact O-N 3.38Å; P262-N266 PolarHBondContact O-OD1 2.82Å; K263-N266 PolarHBondContact O-N 3.14Å; N266-H268 PolarHBondContact O-N 2.9Å; N266-N269 PolarHBondContact O-N 3.01Å; N266-N270 WeakPolarHBondContact O-CB 3.1Å; N266-N270 PolarHBondContact O-N 2.89Å; N266-N270 PolarHBondContact O-OD1 3.33Å
267	L	94.9	Very high	90.7	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-42.8	176.5	-72.2	170.3	0	0	0	112.8	D249 E252 L253 K263 M265 E271	D249-L267 HydrophobicContact CB-CD2 3.53Å; E252-L267 HydrophobicContact CB-CD1 4.33Å; E252-L267 HydrophobicContact CB-CD2 3.76Å; E252-L267 HydrophobicContact CB-CG 3.79Å; E252-L267 HydrophobicContact CG-CD2 4.38Å; E252-L267 HydrophobicContact CG-CG 4.41Å; L253-L267 HydrophobicContact CD2-CD1 4.04Å; L253-L267 HydrophobicContact CD2-CD2 4.28Å; L253-L267 HydrophobicContact CG-CD2 4.31Å; K263-L267 WeakPolarHBondContact O-CB 3.41Å; K263-L267 VanDerWaalsContact O-CG 3.23Å; K263-L267 WeakPolarHBondContact O-CG 3.41Å; K263-L267 PolarHBondContact O-N 3.16Å; M265-L267 PolarHBondContact O-N 2.96Å; L267-E271 WeakPolarHBondContact O-CB 3.31Å; L267-E271 PolarHBondContact O-N 3.11Å; L267-E271 VanDerWaalsContact O-N 3.12Å
268	H	97.4	Very high	92.4	Very high	44 Å²	44	28.8 Å²	28.8	20%	0.204	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-45.8	176.9	179	101.5	0	0	0	111.2	L264 M265 N266 E271 A272 T343 D346 V348	L264-H268 WeakPolarHBondContact O-CB 3.39Å; L264-H268 PolarHBondContact O-N 3.13Å; M265-H268 PolarHBondContact O-N 2.89Å; N266-H268 PolarHBondContact O-N 2.9Å; H268-E271 PolarHBondContact O-N 3.2Å; H268-A272 PolarHBondContact O-N 2.95Å; H268-T343 PolarHBondContact CE1-O 3.02Å; H268-T343 VanDerWaalsContact CE1-O 3.26Å; H268-T343 PolarHBondContact NE2-O 2.76Å; H268-D346 PolarHBondContact CD2-O 3.42Å; H268-D346 PolarHBondContact NE2-O 3.37Å; H268-V348 HydrophobicContact CB-CG2 4Å; H268-V348 VanDerWaalsContact CD2-CG2 3.42Å; H268-V348 WeakPolarHBondContact CD2-CG2 3.41Å
269	N	97.6	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.7	-39.7	-179.3	-68	-35.5	0	0	0	112.2	A182 H185 A186 M265 N266 E271 A272 G273 L347 V348	A182-N269 VanDerWaalsContact CA-ND2 3.31Å; A182-N269 WeakPolarHBondContact CA-ND2 3.34Å; A182-N269 WeakPolarHBondContact CB-ND2 3.04Å; A182-N269 WeakPolarHBondContact O-CB 3.46Å; H185-N269 HydrophobicContact CB-CB 3.89Å; A186-N269 VanDerWaalsContact CA-O 3.27Å; A186-N269 WeakPolarHBondContact CA-O 3.37Å; A186-N269 VanDerWaalsContact CB-O 3.32Å; A186-N269 WeakPolarHBondContact CB-O 3.21Å; M265-N269 VanDerWaalsContact O-CG 3.3Å; M265-N269 PolarHBondContact O-N 3.09Å; M265-N269 PolarHBondContact O-ND2 2.77Å; N266-N269 PolarHBondContact O-N 3.01Å; N269-E271 VanDerWaalsContact C-N 3.28Å; N269-E271 PolarHBondContact O-N 3.34Å; N269-A272 PolarHBondContact O-N 3.41Å; N269-G273 PolarHBondContact O-N 3.44Å; N269-L347 HydrophobicContact CB-CD2 4.38Å; N269-L347 WeakPolarHBondContact OD1-CA 3.31Å; N269-V348 PolarHBondContact ND2-O 3.46Å; N269-V348 PolarHBondContact OD1-N 2.81Å; N269-V348 PolarHBondContact OD1-O 2.95Å
270	N	97.4	Very high	94.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-41.2	172.5	-67.2	-11.6	0	0	0	111.7	H185 A189 D249 N266 R274	H185-N270 VanDerWaalsContact CB-OD1 3.25Å; H185-N270 WeakPolarHBondContact CB-OD1 3.43Å; H185-N270 PolarHBondContact ND1-OD1 2.87Å; H185-N270 PolarHBondContact O-OD1 3.02Å; H185-N270 VanDerWaalsContact O-OD1 3.11Å; A189-N270 HydrophobicContact CB-CB 3.72Å; A189-N270 WeakPolarHBondContact CB-O 3.2Å; D249-N270 WeakPolarHBondContact OD1-CB 3.33Å; D249-N270 PolarHBondContact OD1-ND2 2.83Å; N266-N270 WeakPolarHBondContact O-CB 3.1Å; N266-N270 PolarHBondContact O-N 2.89Å; N266-N270 PolarHBondContact O-OD1 3.33Å; N270-R274 PolarHBondContact O-N 3.4Å; N270-R274 PolarHBondContact O-NE 3.37Å
271	E	98.2	Very high	95.2	Very high	36 Å²	36	22.7 Å²	22.7	17%	0.168	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-39.8	176.7	175	68.9	-167.1	0	0	111.9	K245 L267 H268 N269 G273 R274 R275 R278	K245-E271 IonicContact NZ-OE2 3Å; L267-E271 WeakPolarHBondContact O-CB 3.31Å; L267-E271 PolarHBondContact O-N 3.11Å; L267-E271 VanDerWaalsContact O-N 3.12Å; H268-E271 PolarHBondContact O-N 3.2Å; N269-E271 VanDerWaalsContact C-N 3.28Å; N269-E271 PolarHBondContact O-N 3.34Å; E271-G273 VanDerWaalsContact C-N 3.33Å; E271-R274 PolarHBondContact O-N 3.09Å; E271-R275 WeakPolarHBondContact O-CB 3.29Å; E271-R275 WeakPolarHBondContact O-CG 3.46Å; E271-R275 PolarHBondContact O-N 2.98Å; E271-R275 IonicContact OE1-CZ 3.98Å; E271-R275 IonicContact OE1-NE 2.68Å; E271-R275 PolarHBondContact OE1-NE 3.24Å; E271-R275 IonicContact OE1-NH2 2.8Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; E271-R278 IonicContact OE1-NH2 3.84Å
272	A	98.6	Very high	95.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-43.3	175.4	0	0	0	0	0	111.4	H268 N269 R275 A276 K344 L347	H268-A272 PolarHBondContact O-N 2.95Å; N269-A272 PolarHBondContact O-N 3.41Å; A272-R275 PolarHBondContact O-N 2.79Å; A272-A276 PolarHBondContact O-N 2.02Å; A272-K344 WeakPolarHBondContact CA-O 3.22Å; A272-L347 HydrophobicContact CB-CD2 3.91Å
273	G	98.6	Very high	95.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.5	-52	172.9	0	0	0	0	0	113.3	A186 A190 N269 E271 R275 A276	A186-G273 VanDerWaalsContact O-CA 3.25Å; A186-G273 WeakPolarHBondContact O-CA 2.79Å; A190-G273 WeakPolarHBondContact CB-O 3.33Å; N269-G273 PolarHBondContact O-N 3.44Å; E271-G273 VanDerWaalsContact C-N 3.33Å; G273-R275 PolarHBondContact O-N 3.37Å; G273-A276 VanDerWaalsContact O-CB 3.27Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 2.79Å; G273-A276 VanDerWaalsContact O-N 3.12Å
274	R	98.6	Very high	95.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-46.2	176.9	-84.2	179.1	-88.9	172.2	-11.3	112.7	A193 E241 D249 N270 E271 A276 I277	A193-R274 HydrophobicContact CB-CG 3.85Å; E241-R274 HydrophobicContact CB-CG 4.48Å; E241-R274 HydrophobicContact CG-CB 3.81Å; E241-R274 HydrophobicContact CG-CG 4.07Å; E241-R274 WeakPolarHBondContact O-CD 3.34Å; E241-R274 PolarHBondContact O-NH1 3.21Å; D249-R274 IonicContact OD1-NH2 2.99Å; D249-R274 PolarHBondContact OD1-NH2 3.07Å; D249-R274 IonicContact OD2-CZ 2.91Å; D249-R274 IonicContact OD2-NH1 3.48Å; D249-R274 IonicContact OD2-NH2 3.92Å; D249-R274 PolarHBondContact OD2-NH2 3.39Å; N270-R274 PolarHBondContact O-N 3.4Å; N270-R274 PolarHBondContact O-NE 3.37Å; E271-R274 PolarHBondContact O-N 3.09Å; R274-A276 PolarHBondContact O-N 3.08Å; R274-I277 VanDerWaalsContact O-CB 3.32Å; R274-I277 WeakPolarHBondContact O-CB 3.23Å; R274-I277 PolarHBondContact O-N 3.41Å
275	R	98.1	Very high	95.6	Very high	55 Å²	55	29.5 Å²	29.5	21%	0.208	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-29.8	175.2	-77.6	175.4	-173.9	-92.9	-14.1	113.6	E271 A272 G273 I277 R278 A279 K344 R345	E271-R275 WeakPolarHBondContact O-CB 3.29Å; E271-R275 WeakPolarHBondContact O-CG 3.46Å; E271-R275 PolarHBondContact O-N 2.98Å; E271-R275 IonicContact OE1-CZ 3.98Å; E271-R275 IonicContact OE1-NE 2.68Å; E271-R275 PolarHBondContact OE1-NE 3.24Å; E271-R275 IonicContact OE1-NH2 2.8Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; A272-R275 PolarHBondContact O-N 2.79Å; G273-R275 PolarHBondContact O-N 3.37Å; R275-I277 PolarHBondContact O-N 2.91Å; R275-R278 VanDerWaalsContact CG-NH2 3.26Å; R275-R278 PolarHBondContact O-N 3.06Å; R275-A279 VanDerWaalsContact O-CB 3.3Å; R275-A279 WeakPolarHBondContact O-CB 3.35Å; R275-A279 PolarHBondContact O-N 3.08Å; R275-K344 WeakPolarHBondContact CD-O 3.21Å; R275-R345 HydrophobicContact CB-CG 4.12Å
276	A	98.4	Very high	95.4	Very high	8 Å²	8	35.7 Å²	35.7	7%	0.066	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-34.9	176	0	0	0	0	0	111.3	A272 G273 R274 A279 N280 I309 L313	A272-A276 PolarHBondContact O-N 2.02Å; G273-A276 VanDerWaalsContact O-CB 3.27Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 2.79Å; G273-A276 VanDerWaalsContact O-N 3.12Å; R274-A276 PolarHBondContact O-N 3.08Å; A276-A279 PolarHBondContact O-N 2.91Å; A276-N280 WeakPolarHBondContact O-CB 3.4Å; A276-N280 PolarHBondContact O-N 3.4Å; A276-N280 VanDerWaalsContact O-N 3.13Å; A276-N280 PolarHBondContact O-ND2 2.86Å; A276-I309 HydrophobicContact CB-CG2 4.03Å; A276-L313 HydrophobicContact CB-CD1 4.4Å; A276-L313 HydrophobicContact CB-CD2 3.78Å; A276-L313 HydrophobicContact CB-CG 3.91Å
277	I	98.4	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-54.6	173.8	-49.5	179.3	0	0	0	110.2	A190 A193 V237 R274 R275 A279 N280 M281 M303 I309	A190-I277 HydrophobicContact CB-CD1 4.29Å; A190-I277 HydrophobicContact CB-CG1 4.23Å; A190-I277 WeakPolarHBondContact O-CD1 3.42Å; A193-I277 HydrophobicContact CB-CD1 3.61Å; V237-I277 HydrophobicContact CG1-CB 4.09Å; V237-I277 HydrophobicContact CG1-CG2 3.74Å; V237-I277 HydrophobicContact CG2-CG2 3.91Å; R274-I277 VanDerWaalsContact O-CB 3.32Å; R274-I277 WeakPolarHBondContact O-CB 3.23Å; R274-I277 PolarHBondContact O-N 3.41Å; R275-I277 PolarHBondContact O-N 2.91Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.12Å; I277-N280 CarbonylContact O-C 3.56Å; I277-N280 PolarHBondContact O-N 2.71Å; I277-N280 VanDerWaalsContact O-N 3.13Å; I277-M281 WeakPolarHBondContact O-CG 3.29Å; I277-M281 PolarHBondContact O-N 3.13Å; I277-M303 HydrophobicContact CG2-CB 4.21Å; I277-M303 HydrophobicContact CG2-CG 3.61Å; I277-M303 HydrophobicContact CG2-SD 3.59Å; I277-M303 VanDerWaalsContact CG2-SD 3.59Å; I277-I309 HydrophobicContact CB-CD1 4.42Å; I277-I309 HydrophobicContact CG1-CD1 4.18Å; I277-I309 HydrophobicContact CG1-CG2 4.41Å; I277-I309 HydrophobicContact CG2-CD1 4.26Å
278	R	95.1	Very high	95	Very high	81 Å²	81	42 Å²	42	31%	0.306	21%	0.212	S	C	.	.	H	α-helix	trans	-59.4	-39.3	179.6	-79.1	-174.3	-63.8	169.8	-22.3	113.2	V237 E241 E271 R275 N280 M281	V237-R278 HydrophobicContact CB-CG 4.24Å; V237-R278 HydrophobicContact CG1-CG 3.53Å; E241-R278 VanDerWaalsContact OE1-CD 3.29Å; E241-R278 WeakPolarHBondContact OE1-CD 3.49Å; E241-R278 VanDerWaalsContact OE1-CG 3.26Å; E241-R278 WeakPolarHBondContact OE1-CG 3.05Å; E241-R278 IonicContact OE1-CZ 3.69Å; E241-R278 IonicContact OE1-NE 3.13Å; E241-R278 PolarHBondContact OE1-NE 3Å; E241-R278 IonicContact OE1-NH2 2.83Å; E241-R278 PolarHBondContact OE1-NH2 3.45Å; E241-R278 IonicContact OE2-CZ 2.69Å; E241-R278 IonicContact OE2-NE 3.34Å; E241-R278 PolarHBondContact OE2-NE 3.3Å; E241-R278 IonicContact OE2-NH2 3.8Å; E241-R278 PolarHBondContact OE2-NH2 3.49Å; E271-R278 IonicContact OE1-NH2 3.84Å; R275-R278 VanDerWaalsContact CG-NH2 3.26Å; R275-R278 PolarHBondContact O-N 3.06Å; R278-N280 PolarHBondContact O-N 3.49Å; R278-M281 WeakPolarHBondContact O-CG 3.34Å; R278-M281 PolarHBondContact O-N 3.14Å
279	A	95.3	Very high	94.6	Very high	49 Å²	49	41.8 Å²	41.8	41%	0.405	22%	0.221	S	C	.	.	H	α-helix	trans	-66.1	-30.8	-179.7	0	0	0	0	0	112.1	R275 A276 I277	R275-A279 VanDerWaalsContact O-CB 3.3Å; R275-A279 WeakPolarHBondContact O-CB 3.35Å; R275-A279 PolarHBondContact O-N 3.08Å; A276-A279 PolarHBondContact O-N 2.91Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.12Å
280	N	96.6	Very high	94.2	Very high	39 Å²	39	47.5 Å²	47.5	21%	0.209	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.6	-178.3	-69.4	-73.7	0	0	0	113.5	A276 I277 R278 K282 A304 I309 S312	A276-N280 WeakPolarHBondContact O-CB 3.4Å; A276-N280 PolarHBondContact O-N 3.4Å; A276-N280 VanDerWaalsContact O-N 3.13Å; A276-N280 PolarHBondContact O-ND2 2.86Å; I277-N280 CarbonylContact O-C 3.56Å; I277-N280 PolarHBondContact O-N 2.71Å; I277-N280 VanDerWaalsContact O-N 3.13Å; R278-N280 PolarHBondContact O-N 3.49Å; N280-K282 PolarHBondContact O-N 2.95Å; N280-A304 HydrophobicContact CB-CB 4.09Å; N280-A304 WeakPolarHBondContact O-CB 3.33Å; N280-I309 HydrophobicContact CB-CG1 4.49Å; N280-S312 PolarHBondContact ND2-OG 2.91Å
281	M	94	Very high	93.5	Very high	27 Å²	27	53.5 Å²	53.5	13%	0.133	30%	0.298	C	S	.	.			trans	-61.4	133.2	174.3	-72.4	-64	-78.9	0	0	111.5	V237 I277 R278 R301 M303	V237-M281 HydrophobicContact CG2-CE 3.63Å; V237-M281 HydrophobicContact CG2-CG 4.34Å; V237-M281 HydrophobicContact CG2-SD 3.37Å; V237-M281 WeakPolarHBondContact CG2-SD 3.09Å; I277-M281 WeakPolarHBondContact O-CG 3.29Å; I277-M281 PolarHBondContact O-N 3.13Å; R278-M281 WeakPolarHBondContact O-CG 3.34Å; R278-M281 PolarHBondContact O-N 3.14Å; M281-R301 VanDerWaalsContact CB-NH2 3.34Å; M281-R301 HydrophobicContact CE-CB 4.06Å; M281-M303 HydrophobicContact CE-CG 4.37Å; M281-M303 WeakPolarHBondContact SD-CA 3.33Å; M281-M303 HydrophobicContact SD-CB 4.09Å; M281-M303 HydrophobicContact SD-CG 3.61Å; M281-M303 PolarHBondContact SD-N 3.32Å
282	K	91.7	Very high	92.7	Very high	90 Å²	90	55.6 Å²	55.6	39%	0.391	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.4	179.1	-64.8	-178.5	179.8	174.7	0	110.9	N280 M284 R301 R302 A304	N280-K282 PolarHBondContact O-N 2.95Å; K282-M284 HydrophobicContact CB-SD 4.15Å; K282-R301 WeakPolarHBondContact O-CA 3.49Å; K282-R302 PolarHBondContact N-O 3.29Å; K282-R302 PolarHBondContact O-N 3.31Å; K282-A304 HydrophobicContact CD-CB 4.26Å; K282-A304 HydrophobicContact CG-CB 4.41Å
283	L	90	Very high	92.1	Very high	39 Å²	39	58.1 Å²	58.1	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.5	165.6	-174.5	70.9	0	0	0	107.1	F224 W228 W230 C299 R301	F224-L283 HydrophobicContact CD1-CD2 4.5Å; F224-L283 HydrophobicContact CD2-CD2 3.84Å; F224-L283 HydrophobicContact CE2-CB 4.09Å; F224-L283 HydrophobicContact CE2-CD2 3.89Å; F224-L283 HydrophobicContact CG-CD2 4.17Å; F224-L283 HydrophobicContact CZ-CB 4.18Å; F224-L283 HydrophobicContact CZ-CD2 4.24Å; W228-L283 HydrophobicContact CH2-CD1 4.13Å; W228-L283 HydrophobicContact CH2-CD2 4.13Å; W228-L283 HydrophobicContact CZ2-CD2 3.88Å; W228-L283 HydrophobicContact CZ3-CD1 4.3Å; W230-L283 HydrophobicContact CH2-CD1 3.92Å; W230-L283 HydrophobicContact CZ3-CD1 3.72Å; L283-C299 HydrophobicContact CD1-CB 3.81Å; L283-C299 HydrophobicContact CD2-CB 4.41Å; L283-C299 HydrophobicContact CG-CB 4.04Å; L283-R301 HydrophobicContact CD1-CG 4.35Å
284	M	91.7	Very high	91.6	Very high	74 Å²	74	61.3 Å²	61.3	37%	0.365	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.4	177.1	-58.3	-57	-64.1	0	0	107.8	K282 C299 W300 R302	K282-M284 HydrophobicContact CB-SD 4.15Å; M284-C299 CarbonylContact O-C 3.56Å; M284-C299 WeakPolarHBondContact O-CA 3.41Å; M284-C299 WeakPolarHBondContact O-CB 3.5Å; M284-W300 HydrophobicContact CB-CD2 4.16Å; M284-W300 HydrophobicContact CB-CG 4.35Å; M284-W300 HydrophobicContact CB-CZ2 4.1Å; M284-W300 PolarHBondContact N-O 3.03Å; M284-W300 PolarHBondContact O-N 2.71Å; M284-R302 HydrophobicContact CG-CB 3.73Å
285	C	90.4	Very high	91	Very high	43 Å²	43	66.8 Å²	66.8	29%	0.291	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.8	-179.2	-64.4	0	0	0	0	110.1	R297 L298 C299	C285-R297 HydrophobicContact CB-CG 3.85Å; C285-L298 CarbonylContact C-O 3.59Å; C285-L298 WeakPolarHBondContact CA-O 3.44Å; C285-C299 HydrophobicContact CB-CB 4.07Å; C285-C299 WeakPolarHBondContact CB-SG 3.35Å; C285-C299 WeakPolarHBondContact SG-CB 3.34Å; C285-C299 CovalentContact SG-SG 2.04Å; C285-C299 PolarHBondContact SG-SG 3.35Å
286	K	90.8	Very high	90.6	Very high	130 Å²	130	66.5 Å²	66.5	57%	0.565	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.8	169.1	-73.7	-172.9	-167.9	175.6	0	110.3	R297 L298 W300	K286-R297 WeakPolarHBondContact O-CA 3.34Å; K286-L298 PolarHBondContact N-O 3.02Å; K286-L298 PolarHBondContact O-N 2.85Å; K286-W300 HydrophobicContact CB-CH2 4.12Å; K286-W300 HydrophobicContact CB-CZ3 4.31Å; K286-W300 HydrophobicContact CD-CH2 3.65Å; K286-W300 HydrophobicContact CD-CZ2 4.48Å; K286-W300 HydrophobicContact CG-CH2 3.61Å; K286-W300 HydrophobicContact CG-CZ3 4.28Å
287	C	91.2	Very high	90.2	Very high	71 Å²	71	68.7 Å²	68.7	48%	0.48	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.6	173.3	-74.6	0	0	0	0	110	C294	C287-C294 HydrophobicContact CB-CB 3.46Å; C287-C294 VanDerWaalsContact CB-CB 3.46Å; C287-C294 WeakPolarHBondContact CB-SG 3.32Å; C287-C294 WeakPolarHBondContact SG-CB 3.14Å; C287-C294 CovalentContact SG-SG 2.03Å; C287-C294 PolarHBondContact SG-SG 2.97Å
288	H	87.7	Confident	89.8	Confident	93 Å²	93	70.9 Å²	70.9	43%	0.431	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138	167.2	-64.5	-91	0	0	0	108.4	T295 V296	H288-T295 PolarHBondContact O-N 3.42Å; H288-T295 VanDerWaalsContact O-N 3.13Å; H288-T295 PolarHBondContact O-OG1 3.48Å; H288-T295 VanDerWaalsContact O-OG1 3.08Å; H288-V296 HydrophobicContact CB-CG1 3.87Å; H288-V296 PolarHBondContact N-O 2.54Å; H288-V296 PolarHBondContact O-N 2.89Å; H288-V296 VanDerWaalsContact O-N 3.15Å
289	G	87.3	Confident	89.6	Confident	39 Å²	39	67 Å²	67	40%	0.402	41%	0.409	S	S	.	.			trans	172.7	167.6	178.5	0	0	0	0	0	111.7	S293	G289-S293 WeakPolarHBondContact CA-O 3.4Å; G289-S293 PolarHBondContact N-O 3.15Å
290	V	90.3	Very high	89.5	Confident	120 Å²	120	67 Å²	67	73%	0.727	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-70.8	135.7	179.3	-177.4	0	0	0	0	109.2	G292 S293	V290-G292 VanDerWaalsContact C-N 3.29Å; V290-G292 PolarHBondContact O-N 3.12Å; V290-S293 PolarHBondContact N-OG 2.99Å; V290-S293 WeakPolarHBondContact O-CB 3.4Å; V290-S293 PolarHBondContact O-N 2.83Å; V290-S293 VanDerWaalsContact O-N 3.08Å; V290-S293 PolarHBondContact O-OG 2.59Å
291	S	82.4	Confident	89.3	Confident	127 Å²	127	67.1 Å²	67.1	89%	0.888	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	53.7	36.6	174.6	-56.3	0	0	0	0	115.4	S293	S291-S293 VanDerWaalsContact C-N 3.29Å; S291-S293 PolarHBondContact O-N 3.1Å
292	G	81.5	Confident	89.3	Confident	79 Å²	79	69.7 Å²	69.7	81%	0.814	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	79.9	4.5	178.5	0	0	0	0	0	115	V290	V290-G292 VanDerWaalsContact C-N 3.29Å; V290-G292 PolarHBondContact O-N 3.12Å
293	S	86.9	Confident	89.6	Confident	54 Å²	54	65.5 Å²	65.5	38%	0.378	39%	0.387	S	S	.	.			trans	-65	154	167	63.2	0	0	0	0	111.3	G289 V290 S291	G289-S293 WeakPolarHBondContact CA-O 3.4Å; G289-S293 PolarHBondContact N-O 3.15Å; V290-S293 PolarHBondContact N-OG 2.99Å; V290-S293 WeakPolarHBondContact O-CB 3.4Å; V290-S293 PolarHBondContact O-N 2.83Å; V290-S293 VanDerWaalsContact O-N 3.08Å; V290-S293 PolarHBondContact O-OG 2.59Å; S291-S293 VanDerWaalsContact C-N 3.29Å; S291-S293 PolarHBondContact O-N 3.1Å
294	C	86.5	Confident	90	Very high	68 Å²	68	63.7 Å²	63.7	46%	0.459	38%	0.377	S	S	.	.			trans	-109.2	78.2	175.4	-169.1	0	0	0	0	109.2	C287	C287-C294 HydrophobicContact CB-CB 3.46Å; C287-C294 VanDerWaalsContact CB-CB 3.46Å; C287-C294 WeakPolarHBondContact CB-SG 3.32Å; C287-C294 WeakPolarHBondContact SG-CB 3.14Å; C287-C294 CovalentContact SG-SG 2.03Å; C287-C294 PolarHBondContact SG-SG 2.97Å
295	T	87.6	Confident	90.2	Very high	116 Å²	116	64.5 Å²	64.5	71%	0.712	38%	0.383	S	S	*	.	S	Bend	trans	-78.3	-37.1	177.4	54.1	0	0	0	0	111.2	H288	H288-T295 PolarHBondContact O-N 3.42Å; H288-T295 VanDerWaalsContact O-N 3.13Å; H288-T295 PolarHBondContact O-OG1 3.48Å; H288-T295 VanDerWaalsContact O-OG1 3.08Å
296	V	89	Confident	90.6	Very high	49 Å²	49	63 Å²	63	30%	0.297	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.2	173.4	65.6	0	0	0	0	110.2	H288 L298	H288-V296 HydrophobicContact CB-CG1 3.87Å; H288-V296 PolarHBondContact N-O 2.54Å; H288-V296 PolarHBondContact O-N 2.89Å; H288-V296 VanDerWaalsContact O-N 3.15Å; V296-L298 HydrophobicContact CG2-CD2 4.29Å
297	R	88.8	Confident	90.9	Very high	55 Å²	55	61.3 Å²	61.3	21%	0.208	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.5	175.6	-166.9	174.8	88.4	-170.6	-1.6	109.6	W228 E229 C285 K286	W228-R297 CarbonylContact C-O 3.47Å; W228-R297 WeakPolarHBondContact CA-O 3.21Å; W228-R297 HydrophobicContact CB-CB 3.94Å; W228-R297 HydrophobicContact CB-CG 4.29Å; W228-R297 WeakPolarHBondContact CB-O 3.46Å; E229-R297 PolarHBondContact N-O 2.76Å; C285-R297 HydrophobicContact CB-CG 3.85Å; K286-R297 WeakPolarHBondContact O-CA 3.34Å
298	L	90.4	Very high	91.2	Very high	46 Å²	46	59.8 Å²	59.8	24%	0.241	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.5	176.2	-64.2	-178.3	0	0	0	109.7	E229 C285 K286 V296	E229-L298 HydrophobicContact CB-CD2 4.08Å; E229-L298 CarbonylContact O-C 3.53Å; E229-L298 WeakPolarHBondContact O-CA 3.35Å; C285-L298 CarbonylContact C-O 3.59Å; C285-L298 WeakPolarHBondContact CA-O 3.44Å; K286-L298 PolarHBondContact N-O 3.02Å; K286-L298 PolarHBondContact O-N 2.85Å; V296-L298 HydrophobicContact CG2-CD2 4.29Å
299	C	91.1	Very high	91.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.2	-179.4	-52.5	0	0	0	0	113.2	W228 E229 W230 G231 L283 M284 C285	W228-C299 HydrophobicContact CD2-CB 4.12Å; W228-C299 HydrophobicContact CE3-CB 3.44Å; W228-C299 VanDerWaalsContact CE3-CB 3.44Å; W228-C299 VanDerWaalsContact CE3-SG 3.54Å; W228-C299 HydrophobicContact CZ3-CB 3.78Å; E229-C299 PolarHBondContact O-N 3Å; W230-C299 WeakPolarHBondContact CA-O 3.47Å; G231-C299 PolarHBondContact N-O 3.16Å; G231-C299 CarbonylContact O-C 3.45Å; L283-C299 HydrophobicContact CD1-CB 3.81Å; L283-C299 HydrophobicContact CD2-CB 4.41Å; L283-C299 HydrophobicContact CG-CB 4.04Å; M284-C299 CarbonylContact O-C 3.56Å; M284-C299 WeakPolarHBondContact O-CA 3.41Å; M284-C299 WeakPolarHBondContact O-CB 3.5Å; C285-C299 HydrophobicContact CB-CB 4.07Å; C285-C299 WeakPolarHBondContact CB-SG 3.35Å; C285-C299 WeakPolarHBondContact SG-CB 3.34Å; C285-C299 CovalentContact SG-SG 2.04Å; C285-C299 PolarHBondContact SG-SG 3.35Å
300	W	93.1	Very high	92.2	Very high	48 Å²	48	53.5 Å²	53.5	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.6	172.3	53.2	104.5	0	0	0	111.1	G231 M284 K286	G231-W300 VanDerWaalsContact O-CB 3.29Å; G231-W300 WeakPolarHBondContact O-CB 3.45Å; M284-W300 HydrophobicContact CB-CD2 4.16Å; M284-W300 HydrophobicContact CB-CG 4.35Å; M284-W300 HydrophobicContact CB-CZ2 4.1Å; M284-W300 PolarHBondContact N-O 3.03Å; M284-W300 PolarHBondContact O-N 2.71Å; K286-W300 HydrophobicContact CB-CH2 4.12Å; K286-W300 HydrophobicContact CB-CZ3 4.31Å; K286-W300 HydrophobicContact CD-CH2 3.65Å; K286-W300 HydrophobicContact CD-CZ2 4.48Å; K286-W300 HydrophobicContact CG-CH2 3.61Å; K286-W300 HydrophobicContact CG-CZ3 4.28Å
301	R	93	Very high	92.6	Very high	42 Å²	42	52.2 Å²	52.2	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.6	173.8	-59.8	-172.7	66.6	-142.2	1.9	111.3	V214 W230 S234 E235 M281 K282 L283	V214-R301 HydrophobicContact CG2-CG 4.11Å; W230-R301 HydrophobicContact CH2-CG 3.9Å; W230-R301 HydrophobicContact CZ3-CG 3.76Å; S234-R301 CarbonylContact C-O 2.85Å; S234-R301 WeakPolarHBondContact CA-O 3.41Å; S234-R301 PolarHBondContact OG-N 3.2Å; E235-R301 PolarHBondContact N-O 2.91Å; M281-R301 VanDerWaalsContact CB-NH2 3.34Å; M281-R301 HydrophobicContact CE-CB 4.06Å; K282-R301 WeakPolarHBondContact O-CA 3.49Å; L283-R301 HydrophobicContact CD1-CG 4.35Å
302	R	94.9	Very high	93.3	Very high	80 Å²	80	47.4 Å²	47.4	30%	0.302	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.5	177.4	-167	-171.8	165.8	150.8	-7.6	110.3	E235 K282 M284	E235-R302 HydrophobicContact CG-CG 4.42Å; E235-R302 WeakPolarHBondContact OE2-CA 3.29Å; E235-R302 VanDerWaalsContact OE2-CG 3.29Å; E235-R302 WeakPolarHBondContact OE2-CG 3.26Å; K282-R302 PolarHBondContact N-O 3.29Å; K282-R302 PolarHBondContact O-N 3.31Å; M284-R302 HydrophobicContact CG-CB 3.73Å
303	M	97.5	Very high	94.1	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-60.5	139.3	166.3	-59.9	178.9	-67.4	0	0	109.7	Y194 T197 R198 E235 V237 I277 M281	Y194-M303 HydrophobicContact CD1-CE 4.22Å; Y194-M303 HydrophobicContact CD2-CB 3.97Å; Y194-M303 HydrophobicContact CD2-CE 3.82Å; Y194-M303 HydrophobicContact CD2-CG 4.33Å; Y194-M303 HydrophobicContact CD2-SD 3.5Å; Y194-M303 VanDerWaalsContact CD2-SD 3.5Å; Y194-M303 HydrophobicContact CE1-CE 4.28Å; Y194-M303 HydrophobicContact CE2-CB 3.47Å; Y194-M303 VanDerWaalsContact CE2-CB 3.47Å; Y194-M303 HydrophobicContact CE2-CE 3.89Å; Y194-M303 HydrophobicContact CE2-CG 4.28Å; Y194-M303 HydrophobicContact CE2-SD 3.93Å; Y194-M303 HydrophobicContact CG-CE 3.99Å; Y194-M303 HydrophobicContact CG-SD 4Å; Y194-M303 WeakPolarHBondContact O-CE 3.38Å; T197-M303 HydrophobicContact CG2-CE 3.61Å; T197-M303 HydrophobicContact CG2-CG 4.43Å; T197-M303 HydrophobicContact CG2-SD 3.65Å; R198-M303 HydrophobicContact CB-CE 4.2Å; E235-M303 WeakPolarHBondContact OE2-CE 3.37Å; E235-M303 WeakPolarHBondContact OE2-CG 3.42Å; E235-M303 PolarHBondContact OE2-N 2.97Å; V237-M303 HydrophobicContact CG2-CG 3.52Å; V237-M303 HydrophobicContact CG2-SD 3.89Å; I277-M303 HydrophobicContact CG2-CB 4.21Å; I277-M303 HydrophobicContact CG2-CG 3.61Å; I277-M303 HydrophobicContact CG2-SD 3.59Å; I277-M303 VanDerWaalsContact CG2-SD 3.59Å; M281-M303 HydrophobicContact CE-CG 4.37Å; M281-M303 WeakPolarHBondContact SD-CA 3.33Å; M281-M303 HydrophobicContact SD-CB 4.09Å; M281-M303 HydrophobicContact SD-CG 3.61Å; M281-M303 PolarHBondContact SD-N 3.32Å
304	A	97.1	Very high	94.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.1	160.5	168.6	0	0	0	0	0	110.6	Y194 N280 K282 F306 T308	Y194-A304 VanDerWaalsContact CE2-O 3.28Å; Y194-A304 WeakPolarHBondContact CE2-O 3.45Å; Y194-A304 PolarHBondContact OH-O 2.99Å; N280-A304 HydrophobicContact CB-CB 4.09Å; N280-A304 WeakPolarHBondContact O-CB 3.33Å; K282-A304 HydrophobicContact CD-CB 4.26Å; K282-A304 HydrophobicContact CG-CB 4.41Å; A304-F306 PolarHBondContact O-N 3.11Å; A304-T308 HydrophobicContact CB-CG2 4.26Å
305	D	97	Very high	95	Very high	90 Å²	90	44.1 Å²	44.1	48%	0.481	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-52.8	139.3	172.4	-54.6	-70	0	0	0	110.3	H307 T308 I309	D305-H307 PolarHBondContact O-N 2.65Å; D305-H307 VanDerWaalsContact O-N 3.08Å; D305-T308 WeakPolarHBondContact O-CB 3.44Å; D305-T308 PolarHBondContact O-N 2.75Å; D305-I309 PolarHBondContact O-N 2.81Å
306	F	98	Very high	95.5	Very high	13 Å²	13	42 Å²	42	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-28.3	-172.9	-164.5	-104.6	0	0	0	112.4	M73 E77 I187 A190 G191 Y194 A304 T308 I309 G310	M73-F306 HydrophobicContact CB-CD1 4.5Å; M73-F306 HydrophobicContact CB-CE1 4.38Å; M73-F306 HydrophobicContact CG-CB 4.24Å; M73-F306 HydrophobicContact CG-CD1 3.45Å; M73-F306 VanDerWaalsContact CG-CD1 3.45Å; M73-F306 HydrophobicContact CG-CD2 4.37Å; M73-F306 HydrophobicContact CG-CE1 3.78Å; M73-F306 HydrophobicContact CG-CG 3.76Å; M73-F306 HydrophobicContact CG-CZ 4.38Å; M73-F306 WeakPolarHBondContact O-CE1 3.09Å; M73-F306 HydrophobicContact SD-CB 3.69Å; M73-F306 HydrophobicContact SD-CD1 3.81Å; M73-F306 HydrophobicContact SD-CD2 3.66Å; M73-F306 HydrophobicContact SD-CE1 4.32Å; M73-F306 HydrophobicContact SD-CE2 4.23Å; M73-F306 HydrophobicContact SD-CG 3.43Å; M73-F306 WeakPolarHBondContact SD-CG 3.31Å; E77-F306 HydrophobicContact CB-CD1 3.71Å; E77-F306 HydrophobicContact CB-CE1 3.56Å; E77-F306 HydrophobicContact CG-CD1 3.86Å; E77-F306 HydrophobicContact CG-CE1 3.95Å; I187-F306 HydrophobicContact CD1-CE1 3.71Å; I187-F306 HydrophobicContact CD1-CZ 3.66Å; I187-F306 HydrophobicContact CG1-CE1 4.14Å; I187-F306 HydrophobicContact CG1-CZ 4.16Å; A190-F306 HydrophobicContact CB-CE2 4.32Å; G191-F306 VanDerWaalsContact CA-CZ 3.46Å; Y194-F306 HydrophobicContact CD1-CD2 4.23Å; Y194-F306 AromaticContact CD2-CD2 3.81Å; Y194-F306 HydrophobicContact CD2-CD2 3.81Å; Y194-F306 HydrophobicContact CE2-CD2 4.29Å; Y194-F306 AromaticContact CG-CD2 3.77Å; Y194-F306 HydrophobicContact CG-CD2 3.77Å; Y194-F306 HydrophobicContact CG-CE2 4.28Å; A304-F306 PolarHBondContact O-N 3.11Å; F306-T308 PolarHBondContact O-N 3.24Å; F306-I309 HydrophobicContact CD2-CD1 4.23Å; F306-I309 WeakPolarHBondContact O-CB 3.41Å; F306-I309 PolarHBondContact O-N 3.4Å; F306-I309 VanDerWaalsContact O-N 3.15Å; F306-G310 PolarHBondContact O-N 3.07Å
307	H	97.5	Very high	95.9	Very high	93 Å²	93	40.1 Å²	40.1	43%	0.431	19%	0.187	S	C	.	.	H	α-helix	trans	-57.9	-44.7	170.6	-175.7	60.2	0	0	0	113.5	E77 Q81 D305 I309 G310 Q311	E77-H307 WeakPolarHBondContact OE1-CA 3.38Å; E77-H307 IonicContact OE1-CE1 3.37Å; E77-H307 IonicContact OE1-CG 3.39Å; E77-H307 IonicContact OE1-ND1 2.66Å; E77-H307 PolarHBondContact OE1-ND1 2.89Å; E77-H307 WeakPolarHBondContact OE2-CA 3.38Å; E77-H307 IonicContact OE2-ND1 3.41Å; Q81-H307 PolarHBondContact NE2-CE1 3.2Å; Q81-H307 PolarHBondContact NE2-ND1 3.43Å; D305-H307 PolarHBondContact O-N 2.65Å; D305-H307 VanDerWaalsContact O-N 3.08Å; H307-I309 VanDerWaalsContact C-N 3.26Å; H307-I309 PolarHBondContact O-N 3.44Å; H307-G310 PolarHBondContact O-N 2.95Å; H307-Q311 WeakPolarHBondContact O-CB 3.43Å; H307-Q311 PolarHBondContact O-N 3.17Å
308	T	98	Very high	96.1	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-35.5	175.5	-55.5	0	0	0	0	111.5	A304 D305 F306 S312	A304-T308 HydrophobicContact CB-CG2 4.26Å; D305-T308 WeakPolarHBondContact O-CB 3.44Å; D305-T308 PolarHBondContact O-N 2.75Å; F306-T308 PolarHBondContact O-N 3.24Å; T308-S312 WeakPolarHBondContact O-CB 3.35Å; T308-S312 PolarHBondContact O-N 3.49Å
309	I	98.5	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-43.9	176.4	-58	172.3	0	0	0	110	A190 Y194 A276 I277 N280 D305 F306 H307 S312 L313	A190-I309 HydrophobicContact CB-CG2 4.44Å; Y194-I309 HydrophobicContact CD2-CD1 3.67Å; Y194-I309 HydrophobicContact CE2-CD1 3.79Å; A276-I309 HydrophobicContact CB-CG2 4.03Å; I277-I309 HydrophobicContact CB-CD1 4.42Å; I277-I309 HydrophobicContact CG1-CD1 4.18Å; I277-I309 HydrophobicContact CG1-CG2 4.41Å; I277-I309 HydrophobicContact CG2-CD1 4.26Å; N280-I309 HydrophobicContact CB-CG1 4.49Å; D305-I309 PolarHBondContact O-N 2.81Å; F306-I309 HydrophobicContact CD2-CD1 4.23Å; F306-I309 WeakPolarHBondContact O-CB 3.41Å; F306-I309 PolarHBondContact O-N 3.4Å; F306-I309 VanDerWaalsContact O-N 3.15Å; H307-I309 VanDerWaalsContact C-N 3.26Å; H307-I309 PolarHBondContact O-N 3.44Å; I309-S312 PolarHBondContact O-N 3.42Å; I309-L313 HydrophobicContact CG2-CD1 4.49Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.34Å
310	G	97.9	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-43.3	173.9	0	0	0	0	0	113.1	Y183 F306 H307 L313 S314	Y183-G310 PolarHBondContact OH-O 3.22Å; F306-G310 PolarHBondContact O-N 3.07Å; H307-G310 PolarHBondContact O-N 2.95Å; G310-L313 PolarHBondContact O-N 3.48Å; G310-S314 WeakPolarHBondContact O-CB 3.16Å; G310-S314 PolarHBondContact O-N 2.88Å; G310-S314 PolarHBondContact O-OG 2.86Å
311	Q	97.4	Very high	96.7	Very high	94 Å²	94	41.8 Å²	41.8	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-47.2	174.7	-173.9	179.6	15.9	0	0	111.2	H307 L313 S314 E315	H307-Q311 WeakPolarHBondContact O-CB 3.43Å; H307-Q311 PolarHBondContact O-N 3.17Å; Q311-L313 VanDerWaalsContact C-N 3.28Å; Q311-L313 PolarHBondContact O-N 3.09Å; Q311-S314 WeakPolarHBondContact O-CB 3.4Å; Q311-S314 PolarHBondContact O-N 3.32Å; Q311-E315 PolarHBondContact O-N 3.47Å; Q311-E315 VanDerWaalsContact O-N 3.08Å
312	S	98.2	Very high	96.9	Very high	26 Å²	26	42.5 Å²	42.5	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-37.4	176.8	-174.7	0	0	0	0	112.4	N280 T308 I309 K316	N280-S312 PolarHBondContact ND2-OG 2.91Å; T308-S312 WeakPolarHBondContact O-CB 3.35Å; T308-S312 PolarHBondContact O-N 3.49Å; I309-S312 PolarHBondContact O-N 3.42Å; S312-K316 WeakPolarHBondContact O-CG 3.29Å; S312-K316 PolarHBondContact O-N 3.49Å
313	L	98.4	Very high	96.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-28.9	174	-73	174	0	0	0	112.9	Y183 A186 I187 A190 A276 I309 G310 Q311 K316 F317	Y183-L313 HydrophobicContact CD2-CB 4.12Å; Y183-L313 HydrophobicContact CE2-CB 3.55Å; A186-L313 HydrophobicContact CB-CD1 4.14Å; A186-L313 HydrophobicContact CB-CD2 4.02Å; I187-L313 HydrophobicContact CB-CD1 4.26Å; I187-L313 HydrophobicContact CD1-CD1 3.88Å; A190-L313 HydrophobicContact CB-CD1 4.49Å; A276-L313 HydrophobicContact CB-CD1 4.4Å; A276-L313 HydrophobicContact CB-CD2 3.78Å; A276-L313 HydrophobicContact CB-CG 3.91Å; I309-L313 HydrophobicContact CG2-CD1 4.49Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.34Å; G310-L313 PolarHBondContact O-N 3.48Å; Q311-L313 VanDerWaalsContact C-N 3.28Å; Q311-L313 PolarHBondContact O-N 3.09Å; L313-K316 CarbonylContact O-C 3.57Å; L313-K316 WeakPolarHBondContact O-CA 3.39Å; L313-K316 WeakPolarHBondContact O-CB 3.3Å; L313-K316 PolarHBondContact O-N 3.42Å; L313-F317 PolarHBondContact O-N 3.18Å
314	S	96.4	Very high	96.8	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-39.1	179.4	-61.4	0	0	0	0	111	Q81 Y183 G310 Q311 K316 F317 D318	Q81-S314 WeakPolarHBondContact CB-OG 3.34Å; Q81-S314 WeakPolarHBondContact CG-OG 3.31Å; Q81-S314 PolarHBondContact OE1-OG 2.69Å; Y183-S314 WeakPolarHBondContact CE2-OG 3.41Å; Y183-S314 PolarHBondContact OH-OG 3.1Å; G310-S314 WeakPolarHBondContact O-CB 3.16Å; G310-S314 PolarHBondContact O-N 2.88Å; G310-S314 PolarHBondContact O-OG 2.86Å; Q311-S314 WeakPolarHBondContact O-CB 3.4Å; Q311-S314 PolarHBondContact O-N 3.32Å; S314-K316 PolarHBondContact O-N 3.43Å; S314-F317 WeakPolarHBondContact O-CB 3.07Å; S314-F317 PolarHBondContact O-N 2.97Å; S314-D318 PolarHBondContact O-N 3.46Å; S314-D318 VanDerWaalsContact O-N 3.1Å
315	E	96.3	Very high	96.5	Very high	124 Å²	124	45.5 Å²	45.5	58%	0.579	24%	0.239	S	C	*	.	H	α-helix	trans	-59.4	-37.9	169.1	-66	169.4	-173	0	0	111.7	Q311 F317 D318 G319	Q311-E315 PolarHBondContact O-N 3.47Å; Q311-E315 VanDerWaalsContact O-N 3.08Å; E315-F317 VanDerWaalsContact C-N 3.33Å; E315-D318 PolarHBondContact O-N 2.78Å; E315-G319 PolarHBondContact O-N 3Å
316	K	97.8	Very high	96.3	Very high	71 Å²	71	41.9 Å²	41.9	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-72	-25.2	175	-65.3	-59.3	-172.5	176.8	0	113.6	S312 L313 S314 G319 A320 D346 L347	S312-K316 WeakPolarHBondContact O-CG 3.29Å; S312-K316 PolarHBondContact O-N 3.49Å; L313-K316 CarbonylContact O-C 3.57Å; L313-K316 WeakPolarHBondContact O-CA 3.39Å; L313-K316 WeakPolarHBondContact O-CB 3.3Å; L313-K316 PolarHBondContact O-N 3.42Å; S314-K316 PolarHBondContact O-N 3.43Å; K316-G319 CarbonylContact O-C 3.59Å; K316-A320 WeakPolarHBondContact O-CA 3.35Å; K316-A320 PolarHBondContact O-N 3.39Å; K316-D346 IonicContact NZ-OD1 3.43Å; K316-D346 PolarHBondContact NZ-OD1 2.86Å; K316-L347 HydrophobicContact CB-CD1 4.27Å; K316-L347 HydrophobicContact CB-CG 4.03Å
317	F	96.5	Very high	95.7	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.044	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-42.9	173.2	164.9	-88.9	0	0	0	111.2	F82 R179 E180 Y183 L313 S314 E315 G319 A320 L347	F82-F317 HydrophobicContact CE1-CD1 4.15Å; F82-F317 HydrophobicContact CE1-CD2 4.2Å; F82-F317 AromaticContact CE1-CE1 3.75Å; F82-F317 HydrophobicContact CE1-CE1 3.75Å; F82-F317 AromaticContact CE1-CE2 3.75Å; F82-F317 HydrophobicContact CE1-CE2 3.75Å; F82-F317 HydrophobicContact CE1-CG 4.37Å; F82-F317 AromaticContact CE1-CZ 3.54Å; F82-F317 HydrophobicContact CE1-CZ 3.54Å; F82-F317 AromaticContact CZ-CD1 3.88Å; F82-F317 HydrophobicContact CZ-CD1 3.88Å; F82-F317 AromaticContact CZ-CD2 3.74Å; F82-F317 HydrophobicContact CZ-CD2 3.74Å; F82-F317 AromaticContact CZ-CE1 3.97Å; F82-F317 HydrophobicContact CZ-CE1 3.97Å; F82-F317 AromaticContact CZ-CE2 3.79Å; F82-F317 HydrophobicContact CZ-CE2 3.79Å; F82-F317 AromaticContact CZ-CG 3.78Å; F82-F317 HydrophobicContact CZ-CG 3.78Å; F82-F317 AromaticContact CZ-CZ 3.93Å; F82-F317 HydrophobicContact CZ-CZ 3.93Å; R179-F317 VanDerWaalsContact C-CE2 3.44Å; R179-F317 HydrophobicContact CB-CD2 3.87Å; R179-F317 HydrophobicContact CB-CE2 3.44Å; R179-F317 VanDerWaalsContact CB-CE2 3.44Å; R179-F317 HydrophobicContact CB-CZ 4.17Å; R179-F317 WeakPolarHBondContact O-CD2 3.45Å; R179-F317 WeakPolarHBondContact O-CE2 3.41Å; E180-F317 HydrophobicContact CG-CE2 4.19Å; E180-F317 HydrophobicContact CG-CZ 4.39Å; E180-F317 WeakPolarHBondContact OE1-CZ 3.36Å; Y183-F317 HydrophobicContact CD2-CB 3.97Å; L313-F317 PolarHBondContact O-N 3.18Å; S314-F317 WeakPolarHBondContact O-CB 3.07Å; S314-F317 PolarHBondContact O-N 2.97Å; E315-F317 VanDerWaalsContact C-N 3.33Å; F317-G319 VanDerWaalsContact C-N 3.28Å; F317-G319 PolarHBondContact O-N 3.31Å; F317-A320 VanDerWaalsContact O-CB 3.23Å; F317-A320 WeakPolarHBondContact O-CB 3Å; F317-A320 PolarHBondContact O-N 3.06Å; F317-A320 VanDerWaalsContact O-N 3.11Å; F317-L347 HydrophobicContact CB-CD1 4.12Å
318	D	94.3	Very high	95.1	Very high	86 Å²	86	47.2 Å²	47.2	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-39.3	177.4	-69.1	-33.7	0	0	0	111.7	R85 S314 E315	R85-D318 IonicContact CZ-OD1 2.75Å; R85-D318 IonicContact CZ-OD2 2.71Å; R85-D318 IonicContact NH1-OD1 3.55Å; R85-D318 PolarHBondContact NH1-OD1 3.13Å; R85-D318 IonicContact NH1-OD2 4Å; R85-D318 IonicContact NH2-OD1 2.9Å; R85-D318 PolarHBondContact NH2-OD1 3.41Å; R85-D318 VanDerWaalsContact NH2-OD1 3.13Å; R85-D318 IonicContact NH2-OD2 3.8Å; R85-D318 PolarHBondContact NH2-OD2 3.24Å; S314-D318 PolarHBondContact O-N 3.46Å; S314-D318 VanDerWaalsContact O-N 3.1Å; E315-D318 PolarHBondContact O-N 2.78Å
319	G	93.8	Very high	94.5	Very high	54 Å²	54	53.2 Å²	53.2	56%	0.557	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	18.7	174.3	0	0	0	0	0	115.5	E315 K316 F317	E315-G319 PolarHBondContact O-N 3Å; K316-G319 CarbonylContact O-C 3.59Å; F317-G319 VanDerWaalsContact C-N 3.28Å; F317-G319 PolarHBondContact O-N 3.31Å
320	A	96.6	Very high	94	Very high	15 Å²	15	59.9 Å²	59.9	12%	0.124	31%	0.309	C	S	.	.			trans	-62.2	146.1	-176.3	0	0	0	0	0	111.9	R179 K316 F317 L347 Y349	R179-A320 HydrophobicContact CG-CB 3.96Å; K316-A320 WeakPolarHBondContact O-CA 3.35Å; K316-A320 PolarHBondContact O-N 3.39Å; F317-A320 VanDerWaalsContact O-CB 3.23Å; F317-A320 WeakPolarHBondContact O-CB 3Å; F317-A320 PolarHBondContact O-N 3.06Å; F317-A320 VanDerWaalsContact O-N 3.11Å; A320-L347 WeakPolarHBondContact CA-O 3.49Å; A320-L347 HydrophobicContact CB-CB 4.03Å; A320-Y349 HydrophobicContact CB-CD1 3.99Å; A320-Y349 HydrophobicContact CB-CE1 4.22Å; A320-Y349 WeakPolarHBondContact O-CE1 3.09Å
321	V	96.1	Very high	93.7	Very high	29 Å²	29	64.5 Å²	64.5	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.3	-171.5	-177.5	0	0	0	0	111.4	V323 P342 L347 V348 Y349	V321-V323 HydrophobicContact CG1-CG1 4.35Å; V321-V323 PolarHBondContact O-N 2.99Å; V321-P342 HydrophobicContact CB-CB 4.25Å; V321-P342 HydrophobicContact CG2-CB 4.23Å; V321-L347 PolarHBondContact N-O 2.88Å; V321-V348 VanDerWaalsContact O-CA 3.31Å; V321-V348 WeakPolarHBondContact O-CA 3.37Å; V321-Y349 VanDerWaalsContact C-CE1 3.47Å; V321-Y349 WeakPolarHBondContact O-CD1 3.26Å; V321-Y349 PolarHBondContact O-N 3.38Å; V321-Y349 VanDerWaalsContact O-N 3.09Å
322	K	96.2	Very high	93.5	Very high	57 Å²	57	61.9 Å²	61.9	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.5	171.4	-163.4	175.8	-179.5	176.3	0	110.4	Y335 Y349	K322-Y335 HydrophobicContact CD-CD1 4.38Å; K322-Y335 HydrophobicContact CD-CD2 4.34Å; K322-Y335 HydrophobicContact CD-CG 4.09Å; K322-Y335 HydrophobicContact CG-CD2 4.45Å; K322-Y335 HydrophobicContact CG-CG 4.25Å; K322-Y335 WeakPolarHBondContact O-CB 3.47Å; K322-Y335 PolarHBondContact O-N 3.41Å; K322-Y349 CarbonylContact C-O 3.57Å; K322-Y349 WeakPolarHBondContact CA-O 3.34Å; K322-Y349 HydrophobicContact CB-CD2 4.42Å; K322-Y349 HydrophobicContact CB-CE1 3.94Å; K322-Y349 HydrophobicContact CB-CE2 3.83Å; K322-Y349 HydrophobicContact CD-CE2 4.09Å; K322-Y349 HydrophobicContact CG-CD2 4.19Å; K322-Y349 HydrophobicContact CG-CE2 3.74Å; K322-Y349 VanDerWaalsContact N-CE1 3.28Å
323	V	96.3	Very high	93.3	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	161.6	-179.4	-65.2	0	0	0	0	111.4	V321 L332 K333 P342 V348 Y349 L350	V321-V323 HydrophobicContact CG1-CG1 4.35Å; V321-V323 PolarHBondContact O-N 2.99Å; V323-L332 HydrophobicContact CB-CB 4.3Å; V323-L332 HydrophobicContact CG2-CB 4.3Å; V323-L332 HydrophobicContact CG2-CD1 4.18Å; V323-L332 HydrophobicContact CG2-CD2 4.14Å; V323-L332 HydrophobicContact CG2-CG 4.44Å; V323-K333 CarbonylContact C-O 3.6Å; V323-K333 WeakPolarHBondContact CA-O 3.18Å; V323-K333 VanDerWaalsContact CB-O 3.31Å; V323-K333 WeakPolarHBondContact CB-O 3.5Å; V323-P342 HydrophobicContact CG1-CG 4.24Å; V323-V348 HydrophobicContact CG1-CB 3.97Å; V323-V348 HydrophobicContact CG1-CG1 3.96Å; V323-V348 HydrophobicContact CG2-CB 3.92Å; V323-V348 HydrophobicContact CG2-CG2 4.28Å; V323-Y349 WeakPolarHBondContact CG2-O 3.21Å; V323-Y349 PolarHBondContact N-O 2.71Å; V323-L350 HydrophobicContact CG2-CD2 3.98Å
324	K	93.7	Very high	93.2	Very high	84 Å²	84	65.4 Å²	65.4	37%	0.365	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.2	169.8	63.7	-172.5	177.3	-166.2	0	110.1	K333 Y335	K324-K333 HydrophobicContact CG-CD 4.43Å; K324-K333 HydrophobicContact CG-CG 3.79Å; K324-K333 PolarHBondContact N-O 3.02Å; K324-K333 PolarHBondContact O-N 2.9Å; K324-Y335 HydrophobicContact CB-CD2 4.2Å; K324-Y335 HydrophobicContact CD-CD2 4.38Å; K324-Y335 WeakPolarHBondContact CD-O 3.46Å; K324-Y335 WeakPolarHBondContact CE-O 3.31Å; K324-Y335 PolarHBondContact NZ-O 2.95Å
325	F	92.3	Very high	93	Very high	61 Å²	61	70.7 Å²	70.7	27%	0.268	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.8	175.4	-176.4	-112.2	0	0	0	111.2	P260 A261 L264 H330	P260-F325 HydrophobicContact CB-CD2 4.48Å; P260-F325 HydrophobicContact CB-CE2 3.82Å; P260-F325 HydrophobicContact CB-CZ 3.85Å; P260-F325 HydrophobicContact CG-CD1 4.08Å; P260-F325 HydrophobicContact CG-CD2 4.2Å; P260-F325 HydrophobicContact CG-CE1 3.49Å; P260-F325 VanDerWaalsContact CG-CE1 3.49Å; P260-F325 HydrophobicContact CG-CE2 3.65Å; P260-F325 HydrophobicContact CG-CG 4.4Å; P260-F325 HydrophobicContact CG-CZ 3.26Å; A261-F325 HydrophobicContact CB-CB 3.64Å; A261-F325 HydrophobicContact CB-CD2 4.33Å; A261-F325 HydrophobicContact CB-CG 4.09Å; L264-F325 HydrophobicContact CD1-CD2 3.96Å; L264-F325 HydrophobicContact CD1-CE2 3.63Å; F325-H330 HydrophobicContact CZ-CB 4.47Å; F325-H330 AromaticContact CZ-ND1 3.94Å
326	S	91.3	Very high	92.8	Very high	15 Å²	15	68.7 Å²	68.7	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	98.5	174.7	-167	0	0	0	0	109.1	M328 R329 H330 K331 K333	S326-M328 VanDerWaalsContact C-N 3.34Å; S326-M328 PolarHBondContact O-N 3.49Å; S326-R329 PolarHBondContact O-N 3.42Å; S326-R329 VanDerWaalsContact O-N 3.1Å; S326-H330 PolarHBondContact O-N 3.13Å; S326-K331 WeakPolarHBondContact CB-O 3.43Å; S326-K331 PolarHBondContact N-O 2.75Å; S326-K331 PolarHBondContact O-N 3.15Å; S326-K333 PolarHBondContact OG-NZ 3.03Å
327	G	85.4	Confident	92.3	Very high	41 Å²	41	69.9 Å²	69.9	42%	0.423	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-51.2	-49.1	-179.5	0	0	0	0	0	113.2	R329 H330	G327-R329 PolarHBondContact O-N 2.89Å; G327-H330 PolarHBondContact O-CD2 3.41Å; G327-H330 PolarHBondContact O-N 3.05Å; G327-H330 VanDerWaalsContact O-N 3.14Å
328	M	86	Confident	91.8	Very high	177 Å²	177	73.6 Å²	73.6	87%	0.872	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-52.7	-30.5	179.4	-176.5	-170.3	-74.4	0	0	115	S326	S326-M328 VanDerWaalsContact C-N 3.34Å; S326-M328 PolarHBondContact O-N 3.49Å
329	R	85.1	Confident	91.5	Very high	164 Å²	164	73.9 Å²	73.9	62%	0.619	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-118.6	6	-175.2	-66.5	-175.1	176.6	173.1	-8.8	112.8	S326 G327 K331	S326-R329 PolarHBondContact O-N 3.42Å; S326-R329 VanDerWaalsContact O-N 3.1Å; G327-R329 PolarHBondContact O-N 2.89Å; R329-K331 HydrophobicContact CB-CD 3.84Å; R329-K331 HydrophobicContact CB-CG 3.78Å; R329-K331 PolarHBondContact O-N 2.9Å
330	H	87.7	Confident	91.3	Very high	141 Å²	141	79.9 Å²	79.9	65%	0.653	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.8	44	-173.2	-70.7	-89.4	0	0	0	113.9	F325 S326 G327	F325-H330 HydrophobicContact CZ-CB 4.47Å; F325-H330 AromaticContact CZ-ND1 3.94Å; S326-H330 PolarHBondContact O-N 3.13Å; G327-H330 PolarHBondContact O-CD2 3.41Å; G327-H330 PolarHBondContact O-N 3.05Å; G327-H330 VanDerWaalsContact O-N 3.14Å
331	K	91.8	Very high	91.1	Very high	96 Å²	96	87 Å²	87	42%	0.417	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.8	-175.3	75.1	-172.5	-174.1	-172.4	0	112.9	S326 R329	S326-K331 WeakPolarHBondContact CB-O 3.43Å; S326-K331 PolarHBondContact N-O 2.75Å; S326-K331 PolarHBondContact O-N 3.15Å; R329-K331 HydrophobicContact CB-CD 3.84Å; R329-K331 HydrophobicContact CB-CG 3.78Å; R329-K331 PolarHBondContact O-N 2.9Å
332	L	93.9	Very high	91.1	Very high	39 Å²	39	87.3 Å²	87.3	20%	0.204	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.8	171.7	-59.9	174.4	0	0	0	110.3	L264 M265 V323 V348 L350	L264-L332 HydrophobicContact CB-CD1 3.93Å; L264-L332 HydrophobicContact CB-CD2 4.35Å; L264-L332 HydrophobicContact CB-CG 3.96Å; M265-L332 HydrophobicContact CB-CD1 4.23Å; V323-L332 HydrophobicContact CB-CB 4.3Å; V323-L332 HydrophobicContact CG2-CB 4.3Å; V323-L332 HydrophobicContact CG2-CD1 4.18Å; V323-L332 HydrophobicContact CG2-CD2 4.14Å; V323-L332 HydrophobicContact CG2-CG 4.44Å; L332-V348 HydrophobicContact CD1-CG2 4.19Å; L332-L350 HydrophobicContact CD2-CD2 4.08Å
333	K	93.7	Very high	91.1	Very high	84 Å²	84	87.6 Å²	87.6	37%	0.365	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.2	172.1	61.3	179.3	171.9	-176.5	0	109.7	V323 K324 S326	V323-K333 CarbonylContact C-O 3.6Å; V323-K333 WeakPolarHBondContact CA-O 3.18Å; V323-K333 VanDerWaalsContact CB-O 3.31Å; V323-K333 WeakPolarHBondContact CB-O 3.5Å; K324-K333 HydrophobicContact CG-CD 4.43Å; K324-K333 HydrophobicContact CG-CG 3.79Å; K324-K333 PolarHBondContact N-O 3.02Å; K324-K333 PolarHBondContact O-N 2.9Å; S326-K333 PolarHBondContact OG-NZ 3.03Å
334	P	95.2	Very high	91.1	Very high	19 Å²	19	93.7 Å²	93.7	12%	0.123	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	144	172.9	-26.1	34.9	0	0	0	112	V336 L339 K341	P334-V336 VanDerWaalsContact C-N 3.32Å; P334-V336 PolarHBondContact O-N 3.02Å; P334-L339 HydrophobicContact CB-CB 3.92Å; P334-K341 HydrophobicContact CG-CG 4.27Å
335	Y	93.9	Very high	91.2	Very high	116 Å²	116	96.2 Å²	96.2	46%	0.455	49%	0.494	S	S	.	.	S	Bend	trans	-61.1	-41.7	-177.6	-176.3	-99.3	0	0	0	112.1	K322 K324	K322-Y335 HydrophobicContact CD-CD1 4.38Å; K322-Y335 HydrophobicContact CD-CD2 4.34Å; K322-Y335 HydrophobicContact CD-CG 4.09Å; K322-Y335 HydrophobicContact CG-CD2 4.45Å; K322-Y335 HydrophobicContact CG-CG 4.25Å; K322-Y335 WeakPolarHBondContact O-CB 3.47Å; K322-Y335 PolarHBondContact O-N 3.41Å; K324-Y335 HydrophobicContact CB-CD2 4.2Å; K324-Y335 HydrophobicContact CD-CD2 4.38Å; K324-Y335 WeakPolarHBondContact CD-O 3.46Å; K324-Y335 WeakPolarHBondContact CE-O 3.31Å; K324-Y335 PolarHBondContact NZ-O 2.95Å
336	V	91.8	Very high	91.5	Very high	83 Å²	83	94.7 Å²	94.7	50%	0.503	49%	0.489	S	S	.	.	S	Bend	trans	-108	144.1	175.6	-167.7	0	0	0	0	110	P334 L339	P334-V336 VanDerWaalsContact C-N 3.32Å; P334-V336 PolarHBondContact O-N 3.02Å; V336-L339 HydrophobicContact CB-CD1 3.82Å; V336-L339 HydrophobicContact CB-CG 4.16Å; V336-L339 HydrophobicContact CG2-CD1 4.2Å
337	A	86.8	Confident	91.8	Very high	96 Å²	96	94 Å²	94	79%	0.793	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	148.2	172	0	0	0	0	0	110.6	L339	A337-L339 VanDerWaalsContact C-N 3.28Å; A337-L339 PolarHBondContact O-N 3.43Å
338	G	86.5	Confident	92.4	Very high	87 Å²	87	92.1 Å²	92.1	90%	0.897	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-21.2	-177	0	0	0	0	0	114.9
339	L	87.9	Confident	92.8	Very high	92 Å²	92	84.7 Å²	84.7	48%	0.482	43%	0.426	S	S	.	.	S	Bend	trans	-63.7	139.9	171.3	-69.1	176.5	0	0	0	111.2	P334 V336 A337 K341	P334-L339 HydrophobicContact CB-CB 3.92Å; V336-L339 HydrophobicContact CB-CD1 3.82Å; V336-L339 HydrophobicContact CB-CG 4.16Å; V336-L339 HydrophobicContact CG2-CD1 4.2Å; A337-L339 VanDerWaalsContact C-N 3.28Å; A337-L339 PolarHBondContact O-N 3.43Å; L339-K341 PolarHBondContact O-N 3.04Å
340	K	89.2	Confident	93.3	Very high	181 Å²	181	78.2 Å²	78.2	79%	0.787	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-56.3	131.2	175.3	-173.8	176.6	179.5	178.2	0	109.6
341	K	92.7	Very high	93.4	Very high	165 Å²	165	76 Å²	76	72%	0.717	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64.2	132	177.1	-66.8	174	-175.2	163	0	109.3	P334 L339	P334-K341 HydrophobicContact CG-CG 4.27Å; L339-K341 PolarHBondContact O-N 3.04Å
342	P	95	Very high	93.4	Very high	34 Å²	34	76.7 Å²	76.7	22%	0.221	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-62.5	139	178.9	25.8	-33.6	0	0	0	110.3	V321 V323 D346 V348	V321-P342 HydrophobicContact CB-CB 4.25Å; V321-P342 HydrophobicContact CG2-CB 4.23Å; V323-P342 HydrophobicContact CG1-CG 4.24Å; P342-D346 HydrophobicContact CB-CB 4.28Å; P342-V348 HydrophobicContact CB-CG1 3.68Å; P342-V348 HydrophobicContact CG-CG1 3.77Å
343	T	96.1	Very high	93.2	Very high	63 Å²	63	75.7 Å²	75.7	39%	0.387	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-78.9	170	172.1	73.8	0	0	0	0	110.2	H268 R345 D346	H268-T343 PolarHBondContact CE1-O 3.02Å; H268-T343 VanDerWaalsContact CE1-O 3.26Å; H268-T343 PolarHBondContact NE2-O 2.76Å; T343-R345 PolarHBondContact O-N 3.1Å; T343-R345 PolarHBondContact OG1-N 3.44Å; T343-D346 WeakPolarHBondContact CA-OD2 3.19Å; T343-D346 VanDerWaalsContact CB-OD2 3.27Å; T343-D346 WeakPolarHBondContact CB-OD2 3.34Å; T343-D346 WeakPolarHBondContact CG2-OD2 3.03Å; T343-D346 PolarHBondContact N-OD2 3.26Å; T343-D346 PolarHBondContact O-N 3.4Å; T343-D346 PolarHBondContact OG1-N 3.41Å; T343-D346 PolarHBondContact OG1-OD2 3.03Å
344	K	96.3	Very high	92.9	Very high	130 Å²	130	73.4 Å²	73.4	57%	0.565	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.7	173.7	-60.3	-174.9	178.6	-177.6	0	113.9	A272 R275	A272-K344 WeakPolarHBondContact CA-O 3.22Å; R275-K344 WeakPolarHBondContact CD-O 3.21Å
345	R	97	Very high	92.5	Very high	136 Å²	136	76.7 Å²	76.7	51%	0.513	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-10.3	177.9	-66.7	-177	177.2	169.4	0.1	113.1	R275 T343	R275-R345 HydrophobicContact CB-CG 4.12Å; T343-R345 PolarHBondContact O-N 3.1Å; T343-R345 PolarHBondContact OG1-N 3.44Å
346	D	97.9	Very high	92.3	Very high	30 Å²	30	71.7 Å²	71.7	16%	0.16	39%	0.385	C	S	.	.	S	Bend	trans	-89.5	145.9	-179.4	-56.2	-41.7	0	0	0	109.4	H268 K316 P342 T343	H268-D346 PolarHBondContact CD2-O 3.42Å; H268-D346 PolarHBondContact NE2-O 3.37Å; K316-D346 IonicContact NZ-OD1 3.43Å; K316-D346 PolarHBondContact NZ-OD1 2.86Å; P342-D346 HydrophobicContact CB-CB 4.28Å; T343-D346 WeakPolarHBondContact CA-OD2 3.19Å; T343-D346 VanDerWaalsContact CB-OD2 3.27Å; T343-D346 WeakPolarHBondContact CB-OD2 3.34Å; T343-D346 WeakPolarHBondContact CG2-OD2 3.03Å; T343-D346 PolarHBondContact N-OD2 3.26Å; T343-D346 PolarHBondContact O-N 3.4Å; T343-D346 PolarHBondContact OG1-N 3.41Å; T343-D346 PolarHBondContact OG1-OD2 3.03Å
347	L	98.1	Very high	92.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.368	C	S	.	.			trans	-81.3	145.6	175	-61.3	-177.5	0	0	0	110.3	A182 Y183 A186 N269 A272 K316 F317 A320 V321	A182-L347 HydrophobicContact CB-CB 4.27Å; Y183-L347 HydrophobicContact CD2-CD1 4.29Å; A186-L347 HydrophobicContact CB-CD2 3.54Å; N269-L347 HydrophobicContact CB-CD2 4.38Å; N269-L347 WeakPolarHBondContact OD1-CA 3.31Å; A272-L347 HydrophobicContact CB-CD2 3.91Å; K316-L347 HydrophobicContact CB-CD1 4.27Å; K316-L347 HydrophobicContact CB-CG 4.03Å; F317-L347 HydrophobicContact CB-CD1 4.12Å; A320-L347 WeakPolarHBondContact CA-O 3.49Å; A320-L347 HydrophobicContact CB-CB 4.03Å; V321-L347 PolarHBondContact N-O 2.88Å
348	V	97.6	Very high	92.4	Very high	1 Å²	1	71 Å²	71	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.5	-179	-59.3	0	0	0	0	111.3	A182 M265 H268 N269 V321 V323 L332 P342	A182-V348 VanDerWaalsContact CB-O 3.31Å; A182-V348 WeakPolarHBondContact CB-O 3.08Å; M265-V348 HydrophobicContact CG-CG2 4.09Å; M265-V348 VanDerWaalsContact CG-O 3.27Å; M265-V348 WeakPolarHBondContact CG-O 3.04Å; H268-V348 HydrophobicContact CB-CG2 4Å; H268-V348 VanDerWaalsContact CD2-CG2 3.42Å; H268-V348 WeakPolarHBondContact CD2-CG2 3.41Å; N269-V348 PolarHBondContact ND2-O 3.46Å; N269-V348 PolarHBondContact OD1-N 2.81Å; N269-V348 PolarHBondContact OD1-O 2.95Å; V321-V348 VanDerWaalsContact O-CA 3.31Å; V321-V348 WeakPolarHBondContact O-CA 3.37Å; V323-V348 HydrophobicContact CG1-CB 3.97Å; V323-V348 HydrophobicContact CG1-CG1 3.96Å; V323-V348 HydrophobicContact CG2-CB 3.92Å; V323-V348 HydrophobicContact CG2-CG2 4.28Å; L332-V348 HydrophobicContact CD1-CG2 4.19Å; P342-V348 HydrophobicContact CB-CG1 3.68Å; P342-V348 HydrophobicContact CG-CG1 3.77Å
349	Y	95.4	Very high	92.1	Very high	22 Å²	22	73.6 Å²	73.6	9%	0.086	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.3	-178.9	70.7	-84	0	0	0	111.5	R179 A320 V321 K322 V323 Q351	R179-Y349 HydrophobicContact CG-CD1 3.29Å; R179-Y349 HydrophobicContact CG-CD2 3.96Å; R179-Y349 HydrophobicContact CG-CE1 3.43Å; R179-Y349 VanDerWaalsContact CG-CE1 3.43Å; R179-Y349 HydrophobicContact CG-CE2 4.07Å; R179-Y349 HydrophobicContact CG-CG 3.54Å; A320-Y349 HydrophobicContact CB-CD1 3.99Å; A320-Y349 HydrophobicContact CB-CE1 4.22Å; A320-Y349 WeakPolarHBondContact O-CE1 3.09Å; V321-Y349 VanDerWaalsContact C-CE1 3.47Å; V321-Y349 WeakPolarHBondContact O-CD1 3.26Å; V321-Y349 PolarHBondContact O-N 3.38Å; V321-Y349 VanDerWaalsContact O-N 3.09Å; K322-Y349 CarbonylContact C-O 3.57Å; K322-Y349 WeakPolarHBondContact CA-O 3.34Å; K322-Y349 HydrophobicContact CB-CD2 4.42Å; K322-Y349 HydrophobicContact CB-CE1 3.94Å; K322-Y349 HydrophobicContact CB-CE2 3.83Å; K322-Y349 HydrophobicContact CD-CE2 4.09Å; K322-Y349 HydrophobicContact CG-CD2 4.19Å; K322-Y349 HydrophobicContact CG-CE2 3.74Å; K322-Y349 VanDerWaalsContact N-CE1 3.28Å; V323-Y349 WeakPolarHBondContact CG2-O 3.21Å; V323-Y349 PolarHBondContact N-O 2.71Å; Y349-Q351 WeakPolarHBondContact CD2-O 3.47Å
350	L	94.2	Very high	91.3	Very high	27 Å²	27	72 Å²	72	14%	0.141	34%	0.343	C	S	.	.	S	Bend	trans	-100.1	-38.4	-177.2	-63.7	164.4	0	0	0	112.5	N177 A261 P262 M265 V323 L332	N177-L350 HydrophobicContact CB-CB 3.75Å; N177-L350 HydrophobicContact CB-CD1 3.88Å; N177-L350 HydrophobicContact CB-CG 4.22Å; N177-L350 PolarHBondContact O-N 2.98Å; A261-L350 HydrophobicContact CB-CD1 3.77Å; A261-L350 HydrophobicContact CB-CD2 4.12Å; P262-L350 HydrophobicContact CG-CD1 4.34Å; M265-L350 HydrophobicContact CB-CD1 4.24Å; M265-L350 HydrophobicContact CB-CG 4.4Å; M265-L350 HydrophobicContact CG-CG 4.44Å; M265-L350 HydrophobicContact SD-CB 4.4Å; M265-L350 HydrophobicContact SD-CD1 4.03Å; M265-L350 HydrophobicContact SD-CG 3.88Å; V323-L350 HydrophobicContact CG2-CD2 3.98Å; L332-L350 HydrophobicContact CD2-CD2 4.08Å
351	Q	91.5	Very high	90.3	Very high	96 Å²	96	65.6 Å²	65.6	45%	0.449	32%	0.324	S	S	.	.	S	Bend	trans	-119.8	148.7	-172	-57.8	-171.7	-5.6	0	0	111.8	R176 N177 S178 Y349	R176-Q351 VanDerWaalsContact O-CB 3.25Å; R176-Q351 WeakPolarHBondContact O-CB 3.5Å; R176-Q351 WeakPolarHBondContact O-CG 3.23Å; R176-Q351 PolarHBondContact O-OE1 3.49Å; N177-Q351 HydrophobicContact CB-CG 4.4Å; N177-Q351 PolarHBondContact O-N 2.86Å; S178-Q351 WeakPolarHBondContact CA-O 3.28Å; Y349-Q351 WeakPolarHBondContact CD2-O 3.47Å
352	Q	91.1	Very high	88.7	Confident	110 Å²	110	61.9 Å²	61.9	51%	0.514	31%	0.312	S	S	.	.			trans	-63.4	140.7	176.8	-171.2	55.2	36.6	0	0	110
353	S	90	Very high	87.3	Confident	17 Å²	17	63.1 Å²	63.1	12%	0.119	32%	0.316	C	S	.	.			trans	-58	138.7	171.2	-53.9	0	0	0	0	109.6	E180	E180-S353 VanDerWaalsContact CD-OG 3.28Å; E180-S353 PolarHBondContact OE1-OG 3.1Å; E180-S353 VanDerWaalsContact OE1-OG 3.1Å; E180-S353 WeakPolarHBondContact OE2-CB 3Å; E180-S353 PolarHBondContact OE2-OG 3.15Å
354	P	85.9	Confident	85.8	Confident	36 Å²	36	60.7 Å²	60.7	23%	0.234	30%	0.302	C	S	.	.			trans	-72	176.4	178.1	37	-39.8	0	0	0	109.1	P175 F356 L363 I365	P175-P354 HydrophobicContact CB-CB 4.4Å; P175-P354 HydrophobicContact CB-CG 3.47Å; P175-P354 VanDerWaalsContact CB-CG 3.47Å; P175-P354 HydrophobicContact CG-CG 3.44Å; P175-P354 VanDerWaalsContact CG-CG 3.44Å; P354-F356 HydrophobicContact CG-CD1 4.22Å; P354-F356 HydrophobicContact CG-CE1 3.75Å; P354-F356 HydrophobicContact CG-CE2 4.27Å; P354-F356 HydrophobicContact CG-CZ 3.8Å; P354-F356 PolarHBondContact O-N 3.09Å; P354-L363 HydrophobicContact CB-CD1 4.41Å; P354-I365 HydrophobicContact CB-CD1 4.09Å; P354-I365 HydrophobicContact CG-CD1 3.77Å
355	D	87.5	Confident	84.7	Confident	89 Å²	89	55 Å²	55	48%	0.476	28%	0.277	S	S	.	.			trans	-72.4	120	167.6	-174.1	11.4	0	0	0	110.3	C357 I365	D355-C357 WeakPolarHBondContact OD1-CB 3.32Å; D355-C357 PolarHBondContact OD1-N 3.41Å; D355-C357 PolarHBondContact OD1-SG 2.03Å; D355-I365 WeakPolarHBondContact O-CD1 3.35Å
356	F	89.6	Confident	83.7	Confident	10 Å²	10	52.4 Å²	52.4	4%	0.044	27%	0.268	C	S	.	.			trans	-98.3	-0.9	176.2	-65	-67.5	0	0	0	113	L86 W87 P175 E180 P354 I365 G367	L86-F356 HydrophobicContact CB-CB 3.88Å; L86-F356 HydrophobicContact CB-CD2 4.43Å; W87-F356 HydrophobicContact CB-CD1 3.92Å; W87-F356 HydrophobicContact CB-CD2 3.89Å; W87-F356 HydrophobicContact CB-CE1 3.85Å; W87-F356 HydrophobicContact CB-CE2 3.8Å; W87-F356 HydrophobicContact CB-CG 3.93Å; W87-F356 HydrophobicContact CB-CZ 3.77Å; W87-F356 AromaticContact CD1-CE1 3.68Å; W87-F356 HydrophobicContact CG-CD1 4.31Å; W87-F356 AromaticContact CG-CE1 3.91Å; W87-F356 HydrophobicContact CG-CE1 3.91Å; W87-F356 HydrophobicContact CG-CZ 4Å; P175-F356 HydrophobicContact CG-CE1 3.83Å; P175-F356 HydrophobicContact CG-CZ 3.56Å; E180-F356 HydrophobicContact CG-CE2 3.92Å; E180-F356 HydrophobicContact CG-CZ 3.72Å; P354-F356 HydrophobicContact CG-CD1 4.22Å; P354-F356 HydrophobicContact CG-CE1 3.75Å; P354-F356 HydrophobicContact CG-CE2 4.27Å; P354-F356 HydrophobicContact CG-CZ 3.8Å; P354-F356 PolarHBondContact O-N 3.09Å; F356-I365 HydrophobicContact CB-CG2 4.41Å; F356-I365 HydrophobicContact CD1-CD1 4.03Å; F356-I365 HydrophobicContact CD1-CG1 4.04Å; F356-I365 HydrophobicContact CD1-CG2 4.05Å; F356-I365 HydrophobicContact CE1-CD1 4.32Å; F356-I365 HydrophobicContact CE1-CG1 4.33Å; F356-G367 CarbonylContact O-C 3.43Å; F356-G367 VanDerWaalsContact O-CA 3.26Å; F356-G367 WeakPolarHBondContact O-CA 3.49Å
357	C	91.4	Very high	83.2	Confident	20 Å²	20	51.4 Å²	51.4	14%	0.135	26%	0.264	C	S	.	.	S	Bend	trans	-70.5	-43.6	-178.8	-66.8	0	0	0	0	112.1	D355 G367 T368 C388 R390	D355-C357 WeakPolarHBondContact OD1-CB 3.32Å; D355-C357 PolarHBondContact OD1-N 3.41Å; D355-C357 PolarHBondContact OD1-SG 2.03Å; C357-G367 VanDerWaalsContact O-CA 3.24Å; C357-G367 WeakPolarHBondContact O-CA 3.31Å; C357-T368 PolarHBondContact O-N 3.39Å; C357-C388 VanDerWaalsContact CA-SG 3.59Å; C357-C388 HydrophobicContact CB-CB 3.54Å; C357-C388 WeakPolarHBondContact CB-SG 3.45Å; C357-C388 WeakPolarHBondContact SG-CB 3.43Å; C357-C388 CovalentContact SG-SG 2.01Å; C357-C388 PolarHBondContact SG-SG 2.74Å; C357-R390 PolarHBondContact O-NH2 3.27Å
358	Q	88.7	Confident	82.9	Confident	144 Å²	144	51.4 Å²	51.4	67%	0.673	26%	0.264	S	S	*	.	S	Bend	trans	-93.2	144.7	-179.1	-59.3	-173.4	-0.5	0	0	110.7	D360 I365	Q358-D360 PolarHBondContact O-N 2.92Å; Q358-I365 WeakPolarHBondContact O-CG2 3.28Å
359	E	81.9	Confident	82.4	Confident	143 Å²	143	58.2 Å²	58.2	67%	0.668	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.5	171.7	-172.7	-178.3	170.6	0	0	108.8	I365	E359-I365 CarbonylContact C-O 3.52Å; E359-I365 VanDerWaalsContact CA-O 3.32Å; E359-I365 WeakPolarHBondContact CA-O 3.11Å; E359-I365 WeakPolarHBondContact CG-O 3.49Å
360	D	69.7	Low	82	Confident	59 Å²	59	59.3 Å²	59.3	32%	0.316	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	100.6	171.6	-176.7	-24.1	0	0	0	107.8	Q358 L362 L363 S364 I365	Q358-D360 PolarHBondContact O-N 2.92Å; D360-L362 PolarHBondContact O-N 2.93Å; D360-L362 WeakPolarHBondContact OD1-CA 3.14Å; D360-L362 VanDerWaalsContact OD1-CB 3.29Å; D360-L362 WeakPolarHBondContact OD1-CB 3.41Å; D360-L362 PolarHBondContact OD1-N 2.98Å; D360-L363 HydrophobicContact CB-CB 4.18Å; D360-L363 CarbonylContact O-C 3.45Å; D360-L363 PolarHBondContact O-N 2.9Å; D360-L363 PolarHBondContact OD1-N 3.48Å; D360-L363 WeakPolarHBondContact OD2-CD1 3.47Å; D360-L363 WeakPolarHBondContact OD2-CG 3.38Å; D360-S364 PolarHBondContact O-N 2.91Å; D360-I365 HydrophobicContact CB-CB 4.02Å; D360-I365 HydrophobicContact CB-CD1 4.28Å; D360-I365 HydrophobicContact CB-CG1 4.44Å; D360-I365 PolarHBondContact N-O 3.19Å; D360-I365 PolarHBondContact O-N 3.43Å
361	A	69	Low	81.7	Confident	46 Å²	46	59.6 Å²	59.6	38%	0.38	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.5	-178.2	0	0	0	0	0	113.1	L154 L172	L154-A361 HydrophobicContact CD2-CB 3.62Å; L172-A361 VanDerWaalsContact CD2-O 3.24Å; L172-A361 WeakPolarHBondContact CD2-O 3.42Å
362	L	59.4	Low	81.5	Confident	87 Å²	87	60.6 Å²	60.6	46%	0.455	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-37.1	176.3	176.9	66.2	0	0	0	111.3	R170 L172 D360	R170-L362 HydrophobicContact CB-CD1 4.11Å; L172-L362 WeakPolarHBondContact CD2-O 3.49Å; D360-L362 PolarHBondContact O-N 2.93Å; D360-L362 WeakPolarHBondContact OD1-CA 3.14Å; D360-L362 VanDerWaalsContact OD1-CB 3.29Å; D360-L362 WeakPolarHBondContact OD1-CB 3.41Å; D360-L362 PolarHBondContact OD1-N 2.98Å
363	L	64.1	Low	81.5	Confident	60 Å²	60	55.8 Å²	55.8	31%	0.314	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.5	175.3	-64.9	-177.5	0	0	0	113.5	R173 P354 D360 I365	R173-L363 VanDerWaalsContact O-O 3.08Å; P354-L363 HydrophobicContact CB-CD1 4.41Å; D360-L363 HydrophobicContact CB-CB 4.18Å; D360-L363 CarbonylContact O-C 3.45Å; D360-L363 PolarHBondContact O-N 2.9Å; D360-L363 PolarHBondContact OD1-N 3.48Å; D360-L363 WeakPolarHBondContact OD2-CD1 3.47Å; D360-L363 WeakPolarHBondContact OD2-CG 3.38Å; L363-I365 HydrophobicContact CB-CD1 3.73Å; L363-I365 HydrophobicContact CB-CG1 3.81Å; L363-I365 HydrophobicContact CD1-CD1 4.01Å; L363-I365 PolarHBondContact O-N 3.17Å
364	S	64.7	Low	81.5	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.084	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	34.6	-178.2	-84.3	0	0	0	0	113.4	G152 L172 D360	G152-S364 VanDerWaalsContact N-CB 3.28Å; G152-S364 PolarHBondContact N-OG 2.85Å; G152-S364 PolarHBondContact O-OG 2.93Å; L172-S364 WeakPolarHBondContact CB-OG 3.33Å; D360-S364 PolarHBondContact O-N 2.91Å
365	I	73.7	Confident	81.5	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.8	177.5	-61.4	177	0	0	0	107.8	P354 D355 F356 Q358 E359 D360 L363 G367	P354-I365 HydrophobicContact CB-CD1 4.09Å; P354-I365 HydrophobicContact CG-CD1 3.77Å; D355-I365 WeakPolarHBondContact O-CD1 3.35Å; F356-I365 HydrophobicContact CB-CG2 4.41Å; F356-I365 HydrophobicContact CD1-CD1 4.03Å; F356-I365 HydrophobicContact CD1-CG1 4.04Å; F356-I365 HydrophobicContact CD1-CG2 4.05Å; F356-I365 HydrophobicContact CE1-CD1 4.32Å; F356-I365 HydrophobicContact CE1-CG1 4.33Å; Q358-I365 WeakPolarHBondContact O-CG2 3.28Å; E359-I365 CarbonylContact C-O 3.52Å; E359-I365 VanDerWaalsContact CA-O 3.32Å; E359-I365 WeakPolarHBondContact CA-O 3.11Å; E359-I365 WeakPolarHBondContact CG-O 3.49Å; D360-I365 HydrophobicContact CB-CB 4.02Å; D360-I365 HydrophobicContact CB-CD1 4.28Å; D360-I365 HydrophobicContact CB-CG1 4.44Å; D360-I365 PolarHBondContact N-O 3.19Å; D360-I365 PolarHBondContact O-N 3.43Å; L363-I365 HydrophobicContact CB-CD1 3.73Å; L363-I365 HydrophobicContact CB-CG1 3.81Å; L363-I365 HydrophobicContact CD1-CD1 4.01Å; L363-I365 PolarHBondContact O-N 3.17Å; I365-G367 VanDerWaalsContact C-N 3.32Å
366	Y	77.2	Confident	81.2	Confident	82 Å²	82	65.3 Å²	65.3	32%	0.322	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-11.9	-179.2	-72.3	-78.1	0	0	0	114.2	S90 G152 I153	S90-Y366 WeakPolarHBondContact OG-CD2 3.35Å; S90-Y366 VanDerWaalsContact OG-CE2 3.31Å; S90-Y366 WeakPolarHBondContact OG-CE2 3.49Å; G152-Y366 VanDerWaalsContact CA-CE2 3.49Å; G152-Y366 VanDerWaalsContact CA-CZ 3.4Å; G152-Y366 WeakPolarHBondContact CA-OH 3.34Å; I153-Y366 PolarHBondContact N-OH 3.4Å
367	G	86.4	Confident	80.7	Confident	8 Å²	8	65.4 Å²	65.4	8%	0.082	33%	0.332	C	S	.	.			trans	70.6	178	-168	0	0	0	0	0	112.4	F356 C357 I365	F356-G367 CarbonylContact O-C 3.43Å; F356-G367 VanDerWaalsContact O-CA 3.26Å; F356-G367 WeakPolarHBondContact O-CA 3.49Å; C357-G367 VanDerWaalsContact O-CA 3.24Å; C357-G367 WeakPolarHBondContact O-CA 3.31Å; I365-G367 VanDerWaalsContact C-N 3.32Å
368	T	90.9	Very high	80.3	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.369	C	S	.	.	S	Bend	trans	-102.6	3.3	177.9	61.3	0	0	0	0	114.9	L86 C357 G370 R371 L386 R390 C494	L86-T368 HydrophobicContact CD2-CG2 3.83Å; C357-T368 PolarHBondContact O-N 3.39Å; T368-G370 PolarHBondContact O-N 3.33Å; T368-R371 WeakPolarHBondContact O-CB 3.47Å; T368-R371 WeakPolarHBondContact O-CG 3.4Å; T368-R371 PolarHBondContact O-N 3.19Å; T368-L386 WeakPolarHBondContact CB-O 3.14Å; T368-L386 HydrophobicContact CG2-CD1 4.23Å; T368-L386 VanDerWaalsContact CG2-O 3.31Å; T368-L386 WeakPolarHBondContact CG2-O 3.18Å; T368-L386 PolarHBondContact OG1-O 2.84Å; T368-R390 PolarHBondContact OG1-NH2 3.28Å; T368-C494 WeakPolarHBondContact O-CB 3.44Å
369	K	88.1	Confident	80.1	Confident	145 Å²	145	70.2 Å²	70.2	63%	0.63	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	135.8	-178.9	-172.3	161.8	177.1	168.2	0	111.1	R371 R390 K495	K369-R371 PolarHBondContact O-N 3.34Å; K369-R390 VanDerWaalsContact N-NH2 3.19Å; K369-K495 WeakPolarHBondContact CD-OXT 3.36Å; K369-K495 WeakPolarHBondContact CE-OXT 3.49Å; K369-K495 WeakPolarHBondContact CG-OXT 3.34Å
370	G	86.5	Confident	80.5	Confident	45 Å²	45	66.2 Å²	66.2	46%	0.464	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-0.8	177.6	0	0	0	0	0	115.1	T368 H493 C494	T368-G370 PolarHBondContact O-N 3.33Å; G370-H493 PolarHBondContact O-ND1 3Å; G370-C494 WeakPolarHBondContact CA-O 3.45Å; G370-C494 PolarHBondContact N-O 2.71Å
371	R	89.4	Confident	81.4	Confident	32 Å²	32	66.2 Å²	66.2	12%	0.121	34%	0.339	C	S	.	.			trans	-73.1	138.5	179.2	-69.1	-175.8	63.5	-176	-7.1	111.5	A83 R85 L86 T368 K369 L386 H493 C494	A83-R371 PolarHBondContact O-NH2 3.47Å; R85-R371 PolarHBondContact O-NH1 3.48Å; R85-R371 PolarHBondContact O-NH2 3.31Å; L86-R371 PolarHBondContact O-NH1 3.38Å; T368-R371 WeakPolarHBondContact O-CB 3.47Å; T368-R371 WeakPolarHBondContact O-CG 3.4Å; T368-R371 PolarHBondContact O-N 3.19Å; K369-R371 PolarHBondContact O-N 3.34Å; R371-L386 HydrophobicContact CB-CD2 4.34Å; R371-H493 CarbonylContact O-C 3.32Å; R371-H493 VanDerWaalsContact O-CA 3.23Å; R371-H493 WeakPolarHBondContact O-CA 3.47Å; R371-C494 PolarHBondContact O-N 3.29Å
372	K	87.5	Confident	82.5	Confident	117 Å²	117	64 Å²	64	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.9	173.7	-174.7	174.2	177.3	174.2	0	110.5	L386 E491 H492	K372-L386 VanDerWaalsContact O-CD2 3.32Å; K372-L386 WeakPolarHBondContact O-CD2 3.23Å; K372-E491 VanDerWaalsContact NZ-CD 3.33Å; K372-E491 IonicContact NZ-OE1 3.31Å; K372-E491 PolarHBondContact NZ-OE1 3.33Å; K372-E491 IonicContact NZ-OE2 2.7Å; K372-H492 CarbonylContact C-O 3.56Å; K372-H492 WeakPolarHBondContact CA-O 3.44Å
373	C	89.9	Confident	84	Confident	9 Å²	9	60 Å²	60	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	165.2	179.7	65.5	0	0	0	0	111.3	N381 C383 L386 H492	C373-N381 WeakPolarHBondContact CA-O 3.5Å; C373-C383 VanDerWaalsContact C-SG 3.52Å; C373-C383 HydrophobicContact CB-CB 3.85Å; C373-C383 WeakPolarHBondContact CB-SG 3.49Å; C373-C383 VanDerWaalsContact SG-CA 3.56Å; C373-C383 WeakPolarHBondContact SG-CB 3.39Å; C373-C383 CovalentContact SG-SG 2.04Å; C373-C383 PolarHBondContact SG-SG 3.5Å; C373-L386 HydrophobicContact CB-CB 4.35Å; C373-L386 HydrophobicContact CB-CD2 3.96Å; C373-H492 PolarHBondContact N-O 2.96Å
374	E	90	Very high	85.2	Confident	101 Å²	101	61 Å²	61	47%	0.472	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-102.1	125.3	176.3	-173.2	170	-152.8	0	0	110.3	G377 N381 G382 C383	E374-G377 PolarHBondContact O-N 3.19Å; E374-N381 PolarHBondContact N-O 3.28Å; E374-N381 PolarHBondContact OE2-ND2 3.27Å; E374-G382 CarbonylContact O-C 3.08Å; E374-G382 VanDerWaalsContact O-CA 3.27Å; E374-G382 WeakPolarHBondContact O-CA 3.47Å; E374-C383 PolarHBondContact O-N 2.78Å; E374-C383 PolarHBondContact O-SG 3.19Å; E374-C383 VanDerWaalsContact O-SG 3.4Å
375	R	85.1	Confident	86.5	Confident	116 Å²	116	65.9 Å²	65.9	44%	0.438	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-57.8	-174.6	177	176.7	-179.5	-165	-1	112.4	G377 Y392	R375-G377 VanDerWaalsContact C-N 3.28Å; R375-G377 PolarHBondContact O-N 3.44Å; R375-Y392 HydrophobicContact CG-CE2 4.36Å; R375-Y392 WeakPolarHBondContact CG-OH 3.01Å; R375-Y392 PolarHBondContact NE-OH 3.34Å
376	D	81.5	Confident	87.4	Confident	126 Å²	126	65.4 Å²	65.4	67%	0.674	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	16.7	-177	-54.7	-44.7	0	0	0	112.4	Y378	D376-Y378 PolarHBondContact O-N 3.44Å
377	G	80.3	Confident	88.1	Confident	12 Å²	12	61.5 Å²	61.5	12%	0.124	32%	0.322	C	S	.	.			trans	-76.1	119.8	179.2	0	0	0	0	0	111.1	E374 R375 G379 G382	E374-G377 PolarHBondContact O-N 3.19Å; R375-G377 VanDerWaalsContact C-N 3.28Å; R375-G377 PolarHBondContact O-N 3.44Å; G377-G379 VanDerWaalsContact C-N 3.26Å; G377-G382 WeakPolarHBondContact O-CA 3.35Å
378	Y	82	Confident	88.4	Confident	230 Å²	230	63.2 Å²	63.2	90%	0.902	33%	0.332	S	S	*	.			trans	-80.1	-10.4	169.1	-59.2	-79.1	0	0	0	112.8	D376	D376-Y378 PolarHBondContact O-N 3.44Å
379	G	85.8	Confident	88.3	Confident	35 Å²	35	66.8 Å²	66.8	36%	0.361	37%	0.369	S	S	.	.	S	Bend	trans	-78.1	-177.6	-179.2	0	0	0	0	0	113.6	G377 N381 G382	G377-G379 VanDerWaalsContact C-N 3.26Å; G379-N381 PolarHBondContact O-N 2.66Å; G379-N381 VanDerWaalsContact O-N 3.16Å; G379-G382 PolarHBondContact O-N 3.04Å
380	T	89	Confident	88.4	Confident	59 Å²	59	63.7 Å²	63.7	36%	0.362	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.4	177.5	59	0	0	0	0	113.3	G84 R85 G382	G84-T380 CarbonylContact O-C 3.48Å; G84-T380 WeakPolarHBondContact O-CB 3.35Å; G84-T380 PolarHBondContact O-OG1 2.71Å; R85-T380 HydrophobicContact CG-CG2 4.28Å; R85-T380 WeakPolarHBondContact CG-OG1 3.49Å; T380-G382 VanDerWaalsContact C-N 3.33Å
381	N	90.1	Very high	88.4	Confident	58 Å²	58	62.3 Å²	62.3	31%	0.31	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.4	177.8	66.9	-37.2	0	0	0	112.5	G84 C373 E374 G379	G84-N381 WeakPolarHBondContact O-CA 3.38Å; G84-N381 PolarHBondContact O-N 3.14Å; C373-N381 WeakPolarHBondContact CA-O 3.5Å; E374-N381 PolarHBondContact N-O 3.28Å; E374-N381 PolarHBondContact OE2-ND2 3.27Å; G379-N381 PolarHBondContact O-N 2.66Å; G379-N381 VanDerWaalsContact O-N 3.16Å
382	G	91.7	Very high	88.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-61.3	140	176	0	0	0	0	0	111.9	E374 G377 G379 T380 A384 M385 L386	E374-G382 CarbonylContact O-C 3.08Å; E374-G382 VanDerWaalsContact O-CA 3.27Å; E374-G382 WeakPolarHBondContact O-CA 3.47Å; G377-G382 WeakPolarHBondContact O-CA 3.35Å; G379-G382 PolarHBondContact O-N 3.04Å; T380-G382 VanDerWaalsContact C-N 3.33Å; G382-A384 PolarHBondContact O-N 2.75Å; G382-M385 PolarHBondContact O-N 2.79Å; G382-M385 VanDerWaalsContact O-N 3.08Å; G382-L386 WeakPolarHBondContact O-CB 3.36Å; G382-L386 PolarHBondContact O-N 3.16Å
383	C	90.6	Very high	87.9	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-32.6	-179.5	-61.9	0	0	0	0	112.4	C373 E374 M385 C387 Y392 H492	C373-C383 VanDerWaalsContact C-SG 3.52Å; C373-C383 HydrophobicContact CB-CB 3.85Å; C373-C383 WeakPolarHBondContact CB-SG 3.49Å; C373-C383 VanDerWaalsContact SG-CA 3.56Å; C373-C383 WeakPolarHBondContact SG-CB 3.39Å; C373-C383 CovalentContact SG-SG 2.04Å; C373-C383 PolarHBondContact SG-SG 3.5Å; E374-C383 PolarHBondContact O-N 2.78Å; E374-C383 PolarHBondContact O-SG 3.19Å; E374-C383 VanDerWaalsContact O-SG 3.4Å; C383-M385 VanDerWaalsContact C-N 3.3Å; C383-M385 PolarHBondContact O-N 3.44Å; C383-C387 WeakPolarHBondContact O-CB 3.39Å; C383-C387 PolarHBondContact O-N 3.45Å; C383-C387 PolarHBondContact O-SG 2.71Å; C383-Y392 HydrophobicContact CB-CD1 3.29Å; C383-Y392 HydrophobicContact CB-CE1 3.77Å; C383-Y392 HydrophobicContact CB-CG 3.83Å; C383-H492 VanDerWaalsContact SG-CB 3.6Å
384	A	89.5	Confident	87	Confident	81 Å²	81	60.3 Å²	60.3	67%	0.669	33%	0.334	S	S	*	.	H	α-helix	trans	-58.4	-41	175	0	0	0	0	0	112.5	G382	G382-A384 PolarHBondContact O-N 2.75Å
385	M	90.9	Very high	85.7	Confident	115 Å²	115	56 Å²	56	57%	0.567	32%	0.316	S	S	*	.	H	α-helix	trans	-87.1	-50.3	-179.6	-66.4	-59.1	-67.5	0	0	111.9	G382 C383 C387 C388	G382-M385 PolarHBondContact O-N 2.79Å; G382-M385 VanDerWaalsContact O-N 3.08Å; C383-M385 VanDerWaalsContact C-N 3.3Å; C383-M385 PolarHBondContact O-N 3.44Å; M385-C387 VanDerWaalsContact C-N 3.34Å; M385-C387 PolarHBondContact O-N 2.82Å; M385-C388 PolarHBondContact O-N 3.5Å
386	L	92.3	Very high	84.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.2	-34	-172.4	-167.9	60.5	0	0	0	112.3	L86 T368 R371 K372 C373 G382 C388	L86-L386 HydrophobicContact CD2-CD1 4.37Å; T368-L386 WeakPolarHBondContact CB-O 3.14Å; T368-L386 HydrophobicContact CG2-CD1 4.23Å; T368-L386 VanDerWaalsContact CG2-O 3.31Å; T368-L386 WeakPolarHBondContact CG2-O 3.18Å; T368-L386 PolarHBondContact OG1-O 2.84Å; R371-L386 HydrophobicContact CB-CD2 4.34Å; K372-L386 VanDerWaalsContact O-CD2 3.32Å; K372-L386 WeakPolarHBondContact O-CD2 3.23Å; C373-L386 HydrophobicContact CB-CB 4.35Å; C373-L386 HydrophobicContact CB-CD2 3.96Å; G382-L386 WeakPolarHBondContact O-CB 3.36Å; G382-L386 PolarHBondContact O-N 3.16Å; L386-C388 VanDerWaalsContact C-N 3.33Å
387	C	92.7	Very high	83.2	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	0.4	-176.3	-50.4	0	0	0	0	113.8	C383 M385 G389 R390 G391 C494	C383-C387 WeakPolarHBondContact O-CB 3.39Å; C383-C387 PolarHBondContact O-N 3.45Å; C383-C387 PolarHBondContact O-SG 2.71Å; M385-C387 VanDerWaalsContact C-N 3.34Å; M385-C387 PolarHBondContact O-N 2.82Å; C387-G389 VanDerWaalsContact C-N 3.29Å; C387-G389 PolarHBondContact O-N 2.82Å; C387-R390 VanDerWaalsContact O-CB 3.32Å; C387-R390 WeakPolarHBondContact O-CB 3.42Å; C387-R390 WeakPolarHBondContact O-CG 3.17Å; C387-R390 PolarHBondContact O-N 3.43Å; C387-R390 PolarHBondContact O-NE 2.92Å; C387-G391 VanDerWaalsContact CB-O 3.29Å; C387-G391 WeakPolarHBondContact CB-O 3.16Å; C387-C494 WeakPolarHBondContact CA-SG 3.48Å; C387-C494 HydrophobicContact CB-CB 3.55Å; C387-C494 WeakPolarHBondContact CB-SG 3.31Å; C387-C494 PolarHBondContact N-SG 2.88Å; C387-C494 VanDerWaalsContact N-SG 3.44Å; C387-C494 WeakPolarHBondContact SG-CA 3.48Å; C387-C494 WeakPolarHBondContact SG-CB 3.46Å; C387-C494 CovalentContact SG-SG 2.05Å; C387-C494 PolarHBondContact SG-SG 3.26Å
388	C	92.6	Very high	81.8	Confident	43 Å²	43	51 Å²	51	29%	0.291	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	42.5	173	-49.6	0	0	0	0	113.5	L86 C357 M385 L386 R390	L86-C388 VanDerWaalsContact CD2-SG 3.53Å; C357-C388 VanDerWaalsContact CA-SG 3.59Å; C357-C388 HydrophobicContact CB-CB 3.54Å; C357-C388 WeakPolarHBondContact CB-SG 3.45Å; C357-C388 WeakPolarHBondContact SG-CB 3.43Å; C357-C388 CovalentContact SG-SG 2.01Å; C357-C388 PolarHBondContact SG-SG 2.74Å; M385-C388 PolarHBondContact O-N 3.5Å; L386-C388 VanDerWaalsContact C-N 3.33Å; C388-R390 PolarHBondContact O-N 2.96Å
389	G	89.2	Confident	80.1	Confident	75 Å²	75	42.4 Å²	42.4	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-1.9	-179.7	0	0	0	0	0	115.8	C387 G391	C387-G389 VanDerWaalsContact C-N 3.29Å; C387-G389 PolarHBondContact O-N 2.82Å; G389-G391 PolarHBondContact O-N 2.91Å
390	R	89.3	Confident	78.4	Confident	80 Å²	80	44.5 Å²	44.5	30%	0.302	27%	0.266	S	S	.	.	S	Bend	trans	-72.1	-11.9	176.9	-64	-176.5	-75.6	-179.5	-22.4	114	C357 T368 K369 C387 C388 K495	C357-R390 PolarHBondContact O-NH2 3.27Å; T368-R390 PolarHBondContact OG1-NH2 3.28Å; K369-R390 VanDerWaalsContact N-NH2 3.19Å; C387-R390 VanDerWaalsContact O-CB 3.32Å; C387-R390 WeakPolarHBondContact O-CB 3.42Å; C387-R390 WeakPolarHBondContact O-CG 3.17Å; C387-R390 PolarHBondContact O-N 3.43Å; C387-R390 PolarHBondContact O-NE 2.92Å; C388-R390 PolarHBondContact O-N 2.96Å; R390-K495 HydrophobicContact CB-CB 4.27Å; R390-K495 WeakPolarHBondContact CD-O 2.97Å; R390-K495 VanDerWaalsContact CZ-O 3.25Å; R390-K495 PolarHBondContact NE-O 3.43Å; R390-K495 PolarHBondContact NH1-O 3.03Å; R390-K495 WeakPolarHBondContact O-CD 3.32Å
391	G	86.7	Confident	76.3	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	27%	0.268	C	S	.	.			trans	75.4	-173.7	-168.6	0	0	0	0	0	112.3	C387 G389 K495	C387-G391 VanDerWaalsContact CB-O 3.29Å; C387-G391 WeakPolarHBondContact CB-O 3.16Å; G389-G391 PolarHBondContact O-N 2.91Å; G391-K495 PolarHBondContact O-N 3.15Å; G391-K495 VanDerWaalsContact O-N 3.09Å
392	Y	85.6	Confident	74.2	Confident	38 Å²	38	51.7 Å²	51.7	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.2	-176.6	54.7	-87.5	0	0	0	110.3	R375 C383 H492 H493 K495	R375-Y392 HydrophobicContact CG-CE2 4.36Å; R375-Y392 WeakPolarHBondContact CG-OH 3.01Å; R375-Y392 PolarHBondContact NE-OH 3.34Å; C383-Y392 HydrophobicContact CB-CD1 3.29Å; C383-Y392 HydrophobicContact CB-CE1 3.77Å; C383-Y392 HydrophobicContact CB-CG 3.83Å; Y392-H492 HydrophobicContact CD2-CB 3.89Å; Y392-H492 AromaticContact CD2-CD2 3.43Å; Y392-H492 VanDerWaalsContact CD2-CD2 3.43Å; Y392-H492 WeakPolarHBondContact CD2-CD2 3.17Å; Y392-H492 AromaticContact CD2-CG 3.98Å; Y392-H492 AromaticContact CE2-CD2 3.33Å; Y392-H492 WeakPolarHBondContact CE2-CD2 3.37Å; Y392-H492 HydrophobicContact CG-CB 4.4Å; Y392-H493 CarbonylContact C-O 3.51Å; Y392-H493 WeakPolarHBondContact CA-O 3.46Å; Y392-H493 WeakPolarHBondContact CB-O 3.37Å; Y392-K495 WeakPolarHBondContact O-CE 3.5Å
393	V	81.7	Confident	71.9	Confident	57 Å²	57	54.4 Å²	54.4	35%	0.345	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	159.4	164.6	-62.7	0	0	0	0	108	H492 H493 K495	V393-H492 CarbonylContact O-C 3.49Å; V393-H492 VanDerWaalsContact O-CA 3.27Å; V393-H492 WeakPolarHBondContact O-CA 3.35Å; V393-H493 HydrophobicContact CG2-CB 4.08Å; V393-H493 PolarHBondContact N-O 2.73Å; V393-H493 PolarHBondContact O-N 2.95Å; V393-K495 HydrophobicContact CG1-CD 4.41Å; V393-K495 HydrophobicContact CG1-CG 3.84Å
394	Y	70.5	Confident	70	Confident	20 Å²	20	63.3 Å²	63.3	8%	0.078	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	169.6	52	-71.2	0	0	0	109.5	Y396 T460 T461 V462 E491	Y394-Y396 HydrophobicContact CD2-CD2 4.42Å; Y394-Y396 HydrophobicContact CD2-CE1 4.46Å; Y394-Y396 AromaticContact CD2-CE2 3.65Å; Y394-Y396 HydrophobicContact CD2-CE2 3.65Å; Y394-Y396 AromaticContact CD2-CZ 3.6Å; Y394-Y396 WeakPolarHBondContact CD2-OH 3.35Å; Y394-Y396 HydrophobicContact CE2-CD2 4.38Å; Y394-Y396 AromaticContact CE2-CE2 3.35Å; Y394-Y396 HydrophobicContact CE2-CE2 3.35Å; Y394-Y396 AromaticContact CE2-CZ 3.5Å; Y394-Y396 VanDerWaalsContact CE2-CZ 3.5Å; Y394-Y396 WeakPolarHBondContact CE2-OH 3.41Å; Y394-T460 VanDerWaalsContact CE1-C 3.41Å; Y394-T460 WeakPolarHBondContact CE1-O 3.49Å; Y394-T460 WeakPolarHBondContact CE1-OG1 3.3Å; Y394-T460 PolarHBondContact OH-O 2.8Å; Y394-T461 WeakPolarHBondContact OH-CA 3.3Å; Y394-T461 PolarHBondContact OH-N 3.23Å; Y394-T461 VanDerWaalsContact OH-N 3.14Å; Y394-V462 HydrophobicContact CE2-CB 4.16Å; Y394-V462 VanDerWaalsContact OH-CB 3.24Å; Y394-V462 WeakPolarHBondContact OH-CB 3.11Å; Y394-V462 VanDerWaalsContact OH-CG2 3.24Å; Y394-V462 WeakPolarHBondContact OH-CG2 3.23Å; Y394-V462 PolarHBondContact OH-N 2.81Å; Y394-E491 CarbonylContact C-O 3.56Å; Y394-E491 WeakPolarHBondContact CA-O 3.48Å; Y394-E491 WeakPolarHBondContact CB-O 3.5Å
395	A	63.7	Low	68.2	Low	12 Å²	12	68.7 Å²	68.7	10%	0.099	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.9	173.8	0	0	0	0	0	108.4	F397 V447 E491	A395-F397 HydrophobicContact CB-CD2 4.45Å; A395-F397 HydrophobicContact CB-CE2 3.79Å; A395-V447 HydrophobicContact CB-CG1 4.05Å; A395-E491 PolarHBondContact N-O 2.97Å; A395-E491 PolarHBondContact O-N 3.49Å; A395-E491 VanDerWaalsContact O-N 3.11Å
396	Y	59.2	Low	66.5	Low	14 Å²	14	65 Å²	65	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.6	164.3	-65.8	-75.1	0	0	0	109.7	Y394 V462 A464 I488 E490	Y394-Y396 HydrophobicContact CD2-CD2 4.42Å; Y394-Y396 HydrophobicContact CD2-CE1 4.46Å; Y394-Y396 AromaticContact CD2-CE2 3.65Å; Y394-Y396 HydrophobicContact CD2-CE2 3.65Å; Y394-Y396 AromaticContact CD2-CZ 3.6Å; Y394-Y396 WeakPolarHBondContact CD2-OH 3.35Å; Y394-Y396 HydrophobicContact CE2-CD2 4.38Å; Y394-Y396 AromaticContact CE2-CE2 3.35Å; Y394-Y396 HydrophobicContact CE2-CE2 3.35Å; Y394-Y396 AromaticContact CE2-CZ 3.5Å; Y394-Y396 VanDerWaalsContact CE2-CZ 3.5Å; Y394-Y396 WeakPolarHBondContact CE2-OH 3.41Å; Y396-V462 HydrophobicContact CE2-CB 4.16Å; Y396-V462 HydrophobicContact CE2-CG1 4.2Å; Y396-V462 WeakPolarHBondContact CE2-O 3.3Å; Y396-V462 PolarHBondContact OH-O 3.38Å; Y396-A464 HydrophobicContact CD1-CB 4.06Å; Y396-A464 HydrophobicContact CD2-CB 3.71Å; Y396-A464 HydrophobicContact CE1-CB 4.41Å; Y396-A464 HydrophobicContact CE2-CB 4.06Å; Y396-A464 HydrophobicContact CG-CB 3.73Å; Y396-I488 HydrophobicContact CD1-CG2 4.2Å; Y396-I488 HydrophobicContact CE1-CG2 3.72Å; Y396-E490 HydrophobicContact CD1-CG 4.23Å; Y396-E490 HydrophobicContact CE1-CG 3.49Å; Y396-E490 VanDerWaalsContact CE1-CG 3.49Å; Y396-E490 PolarHBondContact OH-OE1 3.21Å
397	F	53.4	Low	64.8	Low	39 Å²	39	73.5 Å²	73.5	17%	0.171	38%	0.383	C	S	.	.			trans	-119	136.2	170.9	-67	-112.3	0	0	0	107.7	A395 P399 K445 E491	A395-F397 HydrophobicContact CB-CD2 4.45Å; A395-F397 HydrophobicContact CB-CE2 3.79Å; F397-P399 WeakPolarHBondContact O-CD 3.09Å; F397-K445 HydrophobicContact CD1-CD 4.23Å; F397-K445 HydrophobicContact CD1-CG 4.49Å; F397-K445 HydrophobicContact CE1-CD 3.95Å; F397-K445 VanDerWaalsContact CZ-NZ 3.29Å; F397-E491 HydrophobicContact CD2-CB 4.44Å; F397-E491 HydrophobicContact CD2-CG 3.84Å; F397-E491 HydrophobicContact CE2-CB 3.77Å; F397-E491 HydrophobicContact CE2-CG 3.45Å; F397-E491 VanDerWaalsContact CE2-CG 3.45Å; F397-E491 WeakPolarHBondContact CE2-OE2 3.09Å; F397-E491 HydrophobicContact CZ-CG 4.19Å; F397-E491 WeakPolarHBondContact CZ-OE2 3.28Å
398	I	51.3	Low	63.4	Low	94 Å²	94	76.3 Å²	76.3	48%	0.482	40%	0.4	S	S	.	.			trans	-98.8	91.6	164.2	-53.5	171.1	0	0	0	108.1	N400 Y448 E466	I398-N400 PolarHBondContact O-N 3.06Å; I398-Y448 HydrophobicContact CD1-CE2 4.43Å; I398-E466 VanDerWaalsContact C-OE1 3.25Å; I398-E466 WeakPolarHBondContact CA-OE1 3.48Å; I398-E466 HydrophobicContact CG1-CB 4.33Å; I398-E466 HydrophobicContact CG2-CG 4.26Å; I398-E466 WeakPolarHBondContact CG2-OE1 3.37Å
399	P	46.6	Very low	61.9	Low	50 Å²	50	78.3 Å²	78.3	33%	0.325	41%	0.408	S	S	.	.			trans	-63.2	103.1	166.9	-25.6	30	0	0	0	111.2	F397 E466 R468	F397-P399 WeakPolarHBondContact O-CD 3.09Å; P399-E466 WeakPolarHBondContact CD-OE1 3.26Å; P399-R468 VanDerWaalsContact CD-CZ 3.49Å; P399-R468 WeakPolarHBondContact O-CD 3.3Å; P399-R468 WeakPolarHBondContact O-CG 3.36Å; P399-R468 PolarHBondContact O-NE 3.19Å
400	N	49.5	Very low	60.8	Low	79 Å²	79	77 Å²	77	42%	0.422	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65.7	129.9	159.7	-159.6	6.2	0	0	0	107.9	I398 R402 W443	I398-N400 PolarHBondContact O-N 3.06Å; N400-R402 PolarHBondContact O-N 3.14Å; N400-W443 HydrophobicContact CB-CE3 4.35Å; N400-W443 HydrophobicContact CB-CH2 4.32Å; N400-W443 HydrophobicContact CB-CZ3 3.74Å; N400-W443 WeakPolarHBondContact O-CH2 3.4Å; N400-W443 WeakPolarHBondContact O-CZ3 3.23Å
401	P	45.3	Very low	59.7	Low	62 Å²	62	76.2 Å²	76.2	40%	0.403	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-50.7	129.4	169.4	18.6	-32.1	0	0	0	109.7
402	R	44.9	Very low	58.6	Low	206 Å²	206	80.7 Å²	80.7	78%	0.777	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-56.7	144.4	168.2	-63.1	-175.7	-153.6	-175.1	5.8	108	N400 K404 W443	N400-R402 PolarHBondContact O-N 3.14Å; R402-K404 PolarHBondContact O-N 3.05Å; R402-W443 HydrophobicContact CB-CH2 4.41Å; R402-W443 HydrophobicContact CB-CZ2 4.44Å; R402-W443 HydrophobicContact CG-CH2 3.98Å; R402-W443 HydrophobicContact CG-CZ2 4.2Å
403	P	44.3	Very low	57.9	Low	58 Å²	58	80.3 Å²	80.3	38%	0.377	42%	0.42	S	S	.	.			trans	-53.7	113.2	159.5	-16.7	29.5	0	0	0	106.1	A439 S441	P403-A439 HydrophobicContact CB-CB 4.35Å; P403-A439 WeakPolarHBondContact CB-O 3.24Å; P403-A439 WeakPolarHBondContact CG-O 3.47Å; P403-S441 WeakPolarHBondContact CD-OG 3.18Å; P403-S441 WeakPolarHBondContact CG-OG 3.32Å
404	K	49.8	Very low	57.6	Low	189 Å²	189	79.7 Å²	79.7	82%	0.822	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-70.4	133	161.1	-71.8	-172.6	177.1	-176	0	105.1	R402 C406	R402-K404 PolarHBondContact O-N 3.05Å; K404-C406 PolarHBondContact O-N 3.01Å
405	E	53	Low	58	Low	194 Å²	194	86.9 Å²	86.9	91%	0.907	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-49.2	118.4	160	-73.3	170.5	178.2	0	0	106.8
406	C	54.8	Low	58.8	Low	39 Å²	39	94.3 Å²	94.3	26%	0.264	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-87.8	123.6	178.8	66.5	0	0	0	0	108.7	K404 C478	K404-C406 PolarHBondContact O-N 3.01Å; C406-C478 HydrophobicContact CB-CB 3.62Å; C406-C478 WeakPolarHBondContact CB-SG 3.13Å; C406-C478 WeakPolarHBondContact SG-CB 3.42Å; C406-C478 CovalentContact SG-SG 2.05Å; C406-C478 PolarHBondContact SG-SG 3.1Å
407	E	57.3	Low	59.7	Low	178 Å²	178	96.8 Å²	96.8	83%	0.832	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-76.8	123.2	159.2	-70.7	-179.8	176.2	0	0	107.4	N409	E407-N409 PolarHBondContact O-N 3.32Å
408	V	62.7	Low	60.9	Low	58 Å²	58	96.7 Å²	96.7	35%	0.352	50%	0.502	S	S	.	.			trans	-60.2	112	176.7	174.3	0	0	0	0	108.9	I410 C431 L437 C477	V408-I410 HydrophobicContact CG1-CG1 4.29Å; V408-C431 HydrophobicContact CG1-CB 3.42Å; V408-C431 VanDerWaalsContact CG1-CB 3.42Å; V408-C431 HydrophobicContact CG2-CB 4.26Å; V408-L437 HydrophobicContact CG2-CD2 3.89Å; V408-C477 WeakPolarHBondContact CA-O 3.39Å
409	N	60.9	Low	62.4	Low	85 Å²	85	99.8 Å²	99.8	46%	0.455	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-119.2	120	178	-174.8	-13.9	0	0	0	110.7	E407 G411 F474 W476 C477	E407-N409 PolarHBondContact O-N 3.32Å; N409-G411 PolarHBondContact OD1-N 3.06Å; N409-F474 HydrophobicContact CB-CE1 3.74Å; N409-F474 HydrophobicContact CB-CE2 4.37Å; N409-F474 HydrophobicContact CB-CZ 3.53Å; N409-F474 WeakPolarHBondContact O-CE1 3.3Å; N409-F474 WeakPolarHBondContact O-CZ 3.22Å; N409-W476 CarbonylContact O-C 3.52Å; N409-C477 PolarHBondContact N-O 3.15Å; N409-C477 PolarHBondContact O-N 2.9Å
410	I	66.5	Low	64.2	Low	47 Å²	47	103.9 Å²	103.9	24%	0.241	52%	0.521	C	S	.	.			trans	-96.8	-6.3	-175.3	-53.2	176.7	0	0	0	111.3	V408 N412 L413 L427 V428	V408-I410 HydrophobicContact CG1-CG1 4.29Å; I410-N412 PolarHBondContact O-N 2.95Å; I410-L413 HydrophobicContact CG2-CB 4.23Å; I410-L413 HydrophobicContact CG2-CD2 4.24Å; I410-L413 WeakPolarHBondContact O-CB 3.41Å; I410-L413 PolarHBondContact O-N 2.75Å; I410-L427 HydrophobicContact CD1-CD2 4.42Å; I410-L427 HydrophobicContact CD1-CG 4.37Å; I410-L427 HydrophobicContact CG2-CD2 3.53Å; I410-L427 HydrophobicContact CG2-CG 4.24Å; I410-V428 HydrophobicContact CD1-CG2 3.71Å
411	G	65.8	Low	65.9	Low	65 Å²	65	101.8 Å²	101.8	67%	0.67	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19	-164.2	0	0	0	0	0	117	N409	N409-G411 PolarHBondContact OD1-N 3.06Å
412	N	64.3	Low	67.9	Low	111 Å²	111	104.5 Å²	104.5	59%	0.594	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	8.7	-179.1	-79.5	-10.5	0	0	0	113.8	I410 G414 Q475	I410-N412 PolarHBondContact O-N 2.95Å; N412-G414 PolarHBondContact O-N 3.49Å; N412-G414 VanDerWaalsContact O-N 3.17Å; N412-Q475 WeakPolarHBondContact CB-O 3.43Å
413	L	70.7	Confident	69.8	Low	30 Å²	30	97.3 Å²	97.3	16%	0.157	51%	0.507	C	S	.	.			trans	-69.6	110.7	-179.6	-172.4	68.7	0	0	0	111.4	I410 E417 A418 L427 W476	I410-L413 HydrophobicContact CG2-CB 4.23Å; I410-L413 HydrophobicContact CG2-CD2 4.24Å; I410-L413 WeakPolarHBondContact O-CB 3.41Å; I410-L413 PolarHBondContact O-N 2.75Å; L413-E417 HydrophobicContact CD1-CB 3.6Å; L413-E417 HydrophobicContact CD1-CG 3.54Å; L413-E417 HydrophobicContact CG-CB 4.27Å; L413-A418 HydrophobicContact CD2-CB 3.88Å; L413-A418 HydrophobicContact CG-CB 4.18Å; L413-L427 HydrophobicContact CD2-CD1 3.61Å; L413-L427 HydrophobicContact CD2-CD2 3.36Å; L413-L427 HydrophobicContact CD2-CG 4.12Å; L413-W476 HydrophobicContact CD1-CD2 3.54Å; L413-W476 HydrophobicContact CD1-CE3 3.6Å; L413-W476 HydrophobicContact CD1-CG 4.04Å; L413-W476 HydrophobicContact CD1-CH2 4.17Å; L413-W476 HydrophobicContact CD1-CZ2 4.12Å; L413-W476 HydrophobicContact CD1-CZ3 3.91Å
414	G	75.3	Confident	71.5	Confident	44 Å²	44	100.6 Å²	100.6	45%	0.454	52%	0.521	S	S	.	.			trans	-65.8	151.1	178.4	0	0	0	0	0	113.5	N412 K416 E417 A418	N412-G414 PolarHBondContact O-N 3.49Å; N412-G414 VanDerWaalsContact O-N 3.17Å; G414-K416 VanDerWaalsContact C-N 3.28Å; G414-K416 PolarHBondContact O-N 2.92Å; G414-K416 VanDerWaalsContact O-N 3.13Å; G414-E417 WeakPolarHBondContact O-CA 3.26Å; G414-E417 WeakPolarHBondContact O-CB 3.44Å; G414-E417 PolarHBondContact O-N 3.46Å; G414-A418 PolarHBondContact O-N 3.32Å
415	Y	78.4	Confident	72.9	Confident	170 Å²	170	96 Å²	96	67%	0.667	51%	0.508	S	S	*	.	H	α-helix	trans	-53.6	-36.1	-175.6	178.7	-105.3	0	0	0	115.1	E417 R419	Y415-E417 VanDerWaalsContact C-N 3.34Å; Y415-R419 VanDerWaalsContact CE1-NE 3.27Å; Y415-R419 VanDerWaalsContact CE1-NH2 3.32Å; Y415-R419 PolarHBondContact O-N 2.72Å
416	K	81.3	Confident	74.3	Confident	169 Å²	169	88.8 Å²	88.8	74%	0.735	48%	0.479	S	S	*	.	H	α-helix	trans	-67	-36	176.1	-71.2	-175.8	178.6	179.8	0	112.3	G414	G414-K416 VanDerWaalsContact C-N 3.28Å; G414-K416 PolarHBondContact O-N 2.92Å; G414-K416 VanDerWaalsContact O-N 3.13Å
417	E	77.9	Confident	75.5	Confident	65 Å²	65	87.3 Å²	87.3	30%	0.304	47%	0.469	S	S	.	.	H	α-helix	trans	-78.9	-38.7	-178.2	-156	64.4	-156.3	0	0	110.6	L413 G414 Y415 R419 K420 W476	L413-E417 HydrophobicContact CD1-CB 3.6Å; L413-E417 HydrophobicContact CD1-CG 3.54Å; L413-E417 HydrophobicContact CG-CB 4.27Å; G414-E417 WeakPolarHBondContact O-CA 3.26Å; G414-E417 WeakPolarHBondContact O-CB 3.44Å; G414-E417 PolarHBondContact O-N 3.46Å; Y415-E417 VanDerWaalsContact C-N 3.34Å; E417-R419 VanDerWaalsContact C-N 3.26Å; E417-R419 PolarHBondContact O-N 2.71Å; E417-K420 WeakPolarHBondContact O-CB 3.47Å; E417-K420 PolarHBondContact O-N 3Å; E417-K420 VanDerWaalsContact O-N 3.1Å; E417-K420 WeakPolarHBondContact OE1-CD 3.32Å; E417-K420 WeakPolarHBondContact OE1-CE 3.28Å; E417-K420 IonicContact OE1-NZ 3.92Å; E417-K420 PolarHBondContact OE1-NZ 3.03Å; E417-K420 WeakPolarHBondContact OE2-CE 3.32Å; E417-K420 IonicContact OE2-NZ 2.78Å; E417-K420 PolarHBondContact OE2-NZ 3.28Å; E417-W476 HydrophobicContact CG-CZ2 4.11Å
418	A	77.3	Confident	76.5	Confident	38 Å²	38	81.9 Å²	81.9	31%	0.314	45%	0.447	S	S	.	.	H	α-helix	trans	-57.6	-36.6	173.9	0	0	0	0	0	113	L413 G414 K420 F421	L413-A418 HydrophobicContact CD2-CB 3.88Å; L413-A418 HydrophobicContact CG-CB 4.18Å; G414-A418 PolarHBondContact O-N 3.32Å; A418-K420 PolarHBondContact O-N 3.3Å; A418-K420 VanDerWaalsContact O-N 3.16Å; A418-F421 PolarHBondContact O-N 3.29Å; A418-F421 VanDerWaalsContact O-N 3.14Å
419	R	82.7	Confident	77.3	Confident	158 Å²	158	85.6 Å²	85.6	60%	0.596	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.7	177.7	-83.1	-169.5	-77.1	172.5	-6.2	114.9	Y415 E417 F421	Y415-R419 VanDerWaalsContact CE1-NE 3.27Å; Y415-R419 VanDerWaalsContact CE1-NH2 3.32Å; Y415-R419 PolarHBondContact O-N 2.72Å; E417-R419 VanDerWaalsContact C-N 3.26Å; E417-R419 PolarHBondContact O-N 2.71Å; R419-F421 PolarHBondContact O-N 3.14Å
420	K	86.1	Confident	78.2	Confident	136 Å²	136	85.2 Å²	85.2	59%	0.591	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.6	174.9	-62.9	-179.3	-178.5	172.1	0	112.5	E417 A418	E417-K420 WeakPolarHBondContact O-CB 3.47Å; E417-K420 PolarHBondContact O-N 3Å; E417-K420 VanDerWaalsContact O-N 3.1Å; E417-K420 WeakPolarHBondContact OE1-CD 3.32Å; E417-K420 WeakPolarHBondContact OE1-CE 3.28Å; E417-K420 IonicContact OE1-NZ 3.92Å; E417-K420 PolarHBondContact OE1-NZ 3.03Å; E417-K420 WeakPolarHBondContact OE2-CE 3.32Å; E417-K420 IonicContact OE2-NZ 2.78Å; E417-K420 PolarHBondContact OE2-NZ 3.28Å; A418-K420 PolarHBondContact O-N 3.3Å; A418-K420 VanDerWaalsContact O-N 3.16Å
421	F	84.3	Confident	78.5	Confident	35 Å²	35	83 Å²	83	15%	0.154	45%	0.445	C	S	.	.	S	Bend	trans	-105	129.3	-178.8	-60.2	-83.5	0	0	0	110	A418 R419 S423 L427 H430 W476	A418-F421 PolarHBondContact O-N 3.29Å; A418-F421 VanDerWaalsContact O-N 3.14Å; R419-F421 PolarHBondContact O-N 3.14Å; F421-S423 PolarHBondContact O-N 3.29Å; F421-L427 HydrophobicContact CB-CB 4.03Å; F421-L427 HydrophobicContact CD1-CB 4.2Å; F421-L427 HydrophobicContact CD1-CD1 4.44Å; F421-L427 HydrophobicContact CD2-CB 4.25Å; F421-L427 HydrophobicContact CD2-CD1 3.66Å; F421-L427 HydrophobicContact CD2-CG 4.47Å; F421-L427 HydrophobicContact CE1-CD1 4.4Å; F421-L427 HydrophobicContact CE2-CD1 3.6Å; F421-L427 HydrophobicContact CG-CB 3.88Å; F421-L427 HydrophobicContact CG-CD1 4.09Å; F421-L427 HydrophobicContact CZ-CD1 3.99Å; F421-H430 HydrophobicContact CD1-CB 4.37Å; F421-H430 HydrophobicContact CE1-CB 3.61Å; F421-H430 AromaticContact CE1-CD2 3.71Å; F421-H430 AromaticContact CE1-CG 3.52Å; F421-H430 HydrophobicContact CZ-CB 4.29Å; F421-H430 AromaticContact CZ-CD2 3.52Å; F421-H430 AromaticContact CZ-CG 3.85Å; F421-H430 AromaticContact CZ-NE2 3.93Å; F421-W476 HydrophobicContact CE2-CH2 4.04Å; F421-W476 HydrophobicContact CE2-CZ3 4.31Å; F421-W476 HydrophobicContact CZ-CH2 4.02Å; F421-W476 HydrophobicContact CZ-CZ3 4.37Å
422	P	87.1	Confident	78.7	Confident	119 Å²	119	82.1 Å²	82.1	77%	0.773	43%	0.432	S	S	*	.	S	Bend	trans	-66.8	-19.9	-180	26.6	-34.8	0	0	0	112.9
423	S	86	Confident	78.9	Confident	55 Å²	55	79.8 Å²	79.8	39%	0.385	42%	0.421	S	S	.	.	S	Bend	trans	-156.2	160.9	178.3	68.3	0	0	0	0	112	F421 T425 S426 L427	F421-S423 PolarHBondContact O-N 3.29Å; S423-T425 PolarHBondContact O-N 2.97Å; S423-S426 WeakPolarHBondContact O-CB 3.46Å; S423-S426 PolarHBondContact O-N 3.43Å; S423-S426 VanDerWaalsContact O-N 3.14Å; S423-S426 PolarHBondContact OG-N 2.94Å; S423-S426 VanDerWaalsContact OG-N 3.08Å; S423-L427 PolarHBondContact O-N 2.85Å; S423-L427 VanDerWaalsContact O-N 3.12Å
424	L	78.5	Confident	78.3	Confident	128 Å²	128	84.1 Å²	84.1	67%	0.67	45%	0.445	S	S	*	.	H	α-helix	trans	-58.1	-34.6	171.4	-162.7	107.4	0	0	0	111.4	L427 V428	L424-L427 WeakPolarHBondContact O-CB 3.19Å; L424-L427 PolarHBondContact O-N 2.56Å; L424-V428 WeakPolarHBondContact O-CG2 3.09Å; L424-V428 PolarHBondContact O-N 3.44Å
425	T	79.8	Confident	77.5	Confident	91 Å²	91	89.4 Å²	89.4	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-64.8	-42	175.7	-42.8	0	0	0	0	111.9	S423 L427 V428 H429	S423-T425 PolarHBondContact O-N 2.97Å; T425-L427 VanDerWaalsContact C-N 3.29Å; T425-L427 PolarHBondContact O-N 2.78Å; T425-V428 PolarHBondContact O-N 2.94Å; T425-H429 WeakPolarHBondContact O-CB 3.43Å; T425-H429 PolarHBondContact O-CD2 3.37Å; T425-H429 PolarHBondContact O-N 3.08Å
426	S	82.8	Confident	76.4	Confident	43 Å²	43	85 Å²	85	30%	0.301	45%	0.447	S	S	.	.	H	α-helix	trans	-62.6	-39.2	175.3	176.9	0	0	0	0	111.4	S423 H430	S423-S426 WeakPolarHBondContact O-CB 3.46Å; S423-S426 PolarHBondContact O-N 3.43Å; S423-S426 VanDerWaalsContact O-N 3.14Å; S423-S426 PolarHBondContact OG-N 2.94Å; S423-S426 VanDerWaalsContact OG-N 3.08Å; S426-H430 WeakPolarHBondContact O-CB 3.37Å; S426-H430 PolarHBondContact O-N 3.41Å
427	L	79.7	Confident	74.8	Confident	9 Å²	9	80.1 Å²	80.1	5%	0.047	43%	0.428	C	S	.	.	H	α-helix	trans	-64.8	-44.5	174.4	172.8	64.6	0	0	0	112.6	I410 L413 F421 S423 L424 T425 H430 C431 W476	I410-L427 HydrophobicContact CD1-CD2 4.42Å; I410-L427 HydrophobicContact CD1-CG 4.37Å; I410-L427 HydrophobicContact CG2-CD2 3.53Å; I410-L427 HydrophobicContact CG2-CG 4.24Å; L413-L427 HydrophobicContact CD2-CD1 3.61Å; L413-L427 HydrophobicContact CD2-CD2 3.36Å; L413-L427 HydrophobicContact CD2-CG 4.12Å; F421-L427 HydrophobicContact CB-CB 4.03Å; F421-L427 HydrophobicContact CD1-CB 4.2Å; F421-L427 HydrophobicContact CD1-CD1 4.44Å; F421-L427 HydrophobicContact CD2-CB 4.25Å; F421-L427 HydrophobicContact CD2-CD1 3.66Å; F421-L427 HydrophobicContact CD2-CG 4.47Å; F421-L427 HydrophobicContact CE1-CD1 4.4Å; F421-L427 HydrophobicContact CE2-CD1 3.6Å; F421-L427 HydrophobicContact CG-CB 3.88Å; F421-L427 HydrophobicContact CG-CD1 4.09Å; F421-L427 HydrophobicContact CZ-CD1 3.99Å; S423-L427 PolarHBondContact O-N 2.85Å; S423-L427 VanDerWaalsContact O-N 3.12Å; L424-L427 WeakPolarHBondContact O-CB 3.19Å; L424-L427 PolarHBondContact O-N 2.56Å; T425-L427 VanDerWaalsContact C-N 3.29Å; T425-L427 PolarHBondContact O-N 2.78Å; L427-H430 WeakPolarHBondContact O-CB 3.41Å; L427-H430 PolarHBondContact O-N 2.9Å; L427-C431 PolarHBondContact O-N 3.1Å; L427-C431 VanDerWaalsContact O-N 3.08Å; L427-C431 PolarHBondContact O-SG 3.04Å; L427-C431 VanDerWaalsContact O-SG 3.39Å; L427-W476 HydrophobicContact CD1-CE3 4.24Å; L427-W476 HydrophobicContact CD1-CZ3 3.62Å
428	V	78.8	Confident	73.3	Confident	63 Å²	63	81.1 Å²	81.1	38%	0.382	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175.9	171.8	0	0	0	0	110.9	I410 L424 T425 H430 C431 A432	I410-V428 HydrophobicContact CD1-CG2 3.71Å; L424-V428 WeakPolarHBondContact O-CG2 3.09Å; L424-V428 PolarHBondContact O-N 3.44Å; T425-V428 PolarHBondContact O-N 2.94Å; V428-H430 VanDerWaalsContact C-N 3.27Å; V428-H430 PolarHBondContact O-N 3.25Å; V428-C431 PolarHBondContact O-N 3.35Å; V428-C431 VanDerWaalsContact O-N 3.08Å; V428-A432 WeakPolarHBondContact O-CB 3.31Å; V428-A432 PolarHBondContact O-N 3.08Å
429	H	79.4	Confident	71.9	Confident	137 Å²	137	82.5 Å²	82.5	63%	0.634	45%	0.45	S	S	*	.	H	α-helix	trans	-57.8	-40.6	174.8	-93.6	-70.3	0	0	0	112.1	T425 C431 A432	T425-H429 WeakPolarHBondContact O-CB 3.43Å; T425-H429 PolarHBondContact O-CD2 3.37Å; T425-H429 PolarHBondContact O-N 3.08Å; H429-C431 VanDerWaalsContact C-N 3.3Å; H429-C431 PolarHBondContact O-N 2.66Å; H429-A432 PolarHBondContact O-N 3.47Å
430	H	80.1	Confident	69.8	Low	76 Å²	76	80.2 Å²	80.2	35%	0.352	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-31.8	176.3	179.6	78.1	0	0	0	113.5	F421 S426 L427 V428 K436	F421-H430 HydrophobicContact CD1-CB 4.37Å; F421-H430 HydrophobicContact CE1-CB 3.61Å; F421-H430 AromaticContact CE1-CD2 3.71Å; F421-H430 AromaticContact CE1-CG 3.52Å; F421-H430 HydrophobicContact CZ-CB 4.29Å; F421-H430 AromaticContact CZ-CD2 3.52Å; F421-H430 AromaticContact CZ-CG 3.85Å; F421-H430 AromaticContact CZ-NE2 3.93Å; S426-H430 WeakPolarHBondContact O-CB 3.37Å; S426-H430 PolarHBondContact O-N 3.41Å; L427-H430 WeakPolarHBondContact O-CB 3.41Å; L427-H430 PolarHBondContact O-N 2.9Å; V428-H430 VanDerWaalsContact C-N 3.27Å; V428-H430 PolarHBondContact O-N 3.25Å; H430-K436 PolarHBondContact CD2-NZ 3.29Å; H430-K436 VanDerWaalsContact CD2-NZ 3.26Å; H430-K436 PolarHBondContact CE1-NZ 2.03Å; H430-K436 VanDerWaalsContact CE1-NZ 3.29Å; H430-K436 PolarHBondContact NE2-NZ 2.85Å; H430-K436 WeakPolarHBondContact O-CD 3.23Å; H430-K436 PolarHBondContact O-NZ 3.37Å
431	C	72.4	Confident	67.8	Low	0 Å²	0	75.2 Å²	75.2	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-79.3	-28.4	174.5	-62.8	0	0	0	0	112.9	V408 L427 V428 H429 C477	V408-C431 HydrophobicContact CG1-CB 3.42Å; V408-C431 VanDerWaalsContact CG1-CB 3.42Å; V408-C431 HydrophobicContact CG2-CB 4.26Å; L427-C431 PolarHBondContact O-N 3.1Å; L427-C431 VanDerWaalsContact O-N 3.08Å; L427-C431 PolarHBondContact O-SG 3.04Å; L427-C431 VanDerWaalsContact O-SG 3.39Å; V428-C431 PolarHBondContact O-N 3.35Å; V428-C431 VanDerWaalsContact O-N 3.08Å; H429-C431 VanDerWaalsContact C-N 3.3Å; H429-C431 PolarHBondContact O-N 2.66Å; C431-C477 VanDerWaalsContact CA-SG 3.52Å; C431-C477 HydrophobicContact CB-CB 3.61Å; C431-C477 WeakPolarHBondContact CB-SG 3.06Å; C431-C477 WeakPolarHBondContact SG-CB 3.48Å; C431-C477 CovalentContact SG-SG 2.03Å; C431-C477 PolarHBondContact SG-SG 3.36Å
432	A	70.7	Confident	65.4	Low	48 Å²	48	82.9 Å²	82.9	40%	0.397	48%	0.477	S	S	.	.	S	Bend	trans	-89.4	7.7	-172.5	0	0	0	0	0	114.7	V428 H429 L437	V428-A432 WeakPolarHBondContact O-CB 3.31Å; V428-A432 PolarHBondContact O-N 3.08Å; H429-A432 PolarHBondContact O-N 3.47Å; A432-L437 WeakPolarHBondContact O-CD1 3.49Å
433	T	68.3	Low	63.2	Low	61 Å²	61	84.2 Å²	84.2	37%	0.374	47%	0.466	S	S	.	.	S	Bend	trans	-66.1	136	172.4	54.7	0	0	0	0	110.4	D435 K436 L437	T433-D435 PolarHBondContact O-N 3.01Å; T433-D435 VanDerWaalsContact O-N 3.14Å; T433-K436 WeakPolarHBondContact O-CA 3.16Å; T433-K436 PolarHBondContact O-N 3.23Å; T433-L437 PolarHBondContact O-N 3.25Å
434	D	57.6	Low	61	Low	122 Å²	122	90 Å²	90	65%	0.652	49%	0.487	S	S	*	.	H	α-helix	trans	-52.1	-37.8	-178.5	-91.3	-38.5	0	0	0	113.5	K436 L437 V438	D434-K436 PolarHBondContact O-N 3.16Å; D434-L437 PolarHBondContact O-N 2.85Å; D434-L437 VanDerWaalsContact O-N 3.12Å; D434-V438 PolarHBondContact O-N 3.32Å
435	D	59.2	Low	59.3	Low	155 Å²	155	90.4 Å²	90.4	83%	0.829	48%	0.484	S	S	*	.	H	α-helix	trans	-56.9	-20.5	176	-68.4	-24.3	0	0	0	113.6	T433	T433-D435 PolarHBondContact O-N 3.01Å; T433-D435 VanDerWaalsContact O-N 3.14Å
436	K	53.8	Low	57.4	Low	78 Å²	78	91.2 Å²	91.2	34%	0.339	48%	0.481	S	S	.	.	H	α-helix	trans	-106.2	-23.8	177.8	-66.3	-170	179.7	-173	0	114.2	H430 T433 D434 C478	H430-K436 PolarHBondContact CD2-NZ 3.29Å; H430-K436 VanDerWaalsContact CD2-NZ 3.26Å; H430-K436 PolarHBondContact CE1-NZ 2.03Å; H430-K436 VanDerWaalsContact CE1-NZ 3.29Å; H430-K436 PolarHBondContact NE2-NZ 2.85Å; H430-K436 WeakPolarHBondContact O-CD 3.23Å; H430-K436 PolarHBondContact O-NZ 3.37Å; T433-K436 WeakPolarHBondContact O-CA 3.16Å; T433-K436 PolarHBondContact O-N 3.23Å; D434-K436 PolarHBondContact O-N 3.16Å; K436-C478 WeakPolarHBondContact O-CB 3.38Å
437	L	49.4	Very low	55.7	Low	65 Å²	65	92.5 Å²	92.5	34%	0.34	49%	0.487	S	S	.	.	H	α-helix	trans	-78.5	-28.1	177	-73.4	170.4	0	0	0	111.8	V408 A432 T433 D434	V408-L437 HydrophobicContact CG2-CD2 3.89Å; A432-L437 WeakPolarHBondContact O-CD1 3.49Å; T433-L437 PolarHBondContact O-N 3.25Å; D434-L437 PolarHBondContact O-N 2.85Å; D434-L437 VanDerWaalsContact O-N 3.12Å
438	V	46.1	Very low	54.1	Low	86 Å²	86	98 Å²	98	52%	0.521	51%	0.508	S	S	.	.			trans	-113.8	96.3	178.3	-171.7	0	0	0	0	108.7	D434 S440	D434-V438 PolarHBondContact O-N 3.32Å; V438-S440 VanDerWaalsContact C-N 3.32Å; V438-S440 PolarHBondContact O-N 3.11Å
439	A	47.3	Very low	52.5	Low	68 Å²	68	99.7 Å²	99.7	56%	0.562	52%	0.523	S	S	*	.			trans	-61.8	101.8	159.1	0	0	0	0	0	107.2	P403 S441	P403-A439 HydrophobicContact CB-CB 4.35Å; P403-A439 WeakPolarHBondContact CB-O 3.24Å; P403-A439 WeakPolarHBondContact CG-O 3.47Å; A439-S441 PolarHBondContact O-N 2.73Å
440	S	39	Very low	50.6	Low	110 Å²	110	100.7 Å²	100.7	77%	0.769	53%	0.525	S	S	*	.			trans	-75.9	90.4	-176.1	57.7	0	0	0	0	110.2	V438	V438-S440 VanDerWaalsContact C-N 3.32Å; V438-S440 PolarHBondContact O-N 3.11Å
441	S	43.5	Very low	48.7	Very low	30 Å²	30	105.7 Å²	105.7	21%	0.21	55%	0.549	C	S	.	.			trans	-97.9	100.5	161.1	70.5	0	0	0	0	109	P403 A439 W443	P403-S441 WeakPolarHBondContact CD-OG 3.18Å; P403-S441 WeakPolarHBondContact CG-OG 3.32Å; A439-S441 PolarHBondContact O-N 2.73Å; S441-W443 VanDerWaalsContact O-CD1 3.31Å; S441-W443 PolarHBondContact O-NE1 2.77Å
442	Q	34	Very low	46.8	Very low	197 Å²	197	115.1 Å²	115.1	92%	0.921	59%	0.585	S	S	*	*			trans	-72.3	137.3	160.3	-77.4	-177.7	-45.6	0	0	108.9
443	W	42	Very low	45.1	Very low	146 Å²	146	118.6 Å²	118.6	55%	0.553	60%	0.601	S	S	*	*			trans	-105	141.4	-168.1	-56.7	83.7	0	0	0	112.5	N400 R402 S441	N400-W443 HydrophobicContact CB-CE3 4.35Å; N400-W443 HydrophobicContact CB-CH2 4.32Å; N400-W443 HydrophobicContact CB-CZ3 3.74Å; N400-W443 WeakPolarHBondContact O-CH2 3.4Å; N400-W443 WeakPolarHBondContact O-CZ3 3.23Å; R402-W443 HydrophobicContact CB-CH2 4.41Å; R402-W443 HydrophobicContact CB-CZ2 4.44Å; R402-W443 HydrophobicContact CG-CH2 3.98Å; R402-W443 HydrophobicContact CG-CZ2 4.2Å; S441-W443 VanDerWaalsContact O-CD1 3.31Å; S441-W443 PolarHBondContact O-NE1 2.77Å
444	E	37.9	Very low	43.5	Very low	176 Å²	176	120.4 Å²	120.4	82%	0.822	61%	0.608	S	S	*	*			trans	-143.7	131.3	148.7	-147.9	168.8	-146.2	0	0	109.3	Q446	E444-Q446 PolarHBondContact O-N 2.91Å
445	K	42.7	Very low	42.4	Very low	138 Å²	138	124.2 Å²	124.2	60%	0.6	62%	0.622	S	S	*	*			trans	-75.9	104.4	175.5	176.4	-175.5	163.5	179.6	0	108	F397 V447	F397-K445 HydrophobicContact CD1-CD 4.23Å; F397-K445 HydrophobicContact CD1-CG 4.49Å; F397-K445 HydrophobicContact CE1-CD 3.95Å; F397-K445 VanDerWaalsContact CZ-NZ 3.29Å; K445-V447 HydrophobicContact CD-CG2 4.21Å; K445-V447 VanDerWaalsContact CE-CG2 3.41Å; K445-V447 HydrophobicContact CG-CG2 4.09Å; K445-V447 PolarHBondContact O-N 2.95Å
446	Q	41.2	Very low	41.9	Very low	107 Å²	107	120.9 Å²	120.9	50%	0.5	62%	0.624	S	S	.	*			trans	-83	107.8	172.9	-68	-176.4	-13	0	0	109.7	E444 Y448	E444-Q446 PolarHBondContact O-N 2.91Å; Q446-Y448 HydrophobicContact CB-CE2 4.11Å; Q446-Y448 PolarHBondContact OE1-OH 3.06Å
447	V	46.8	Very low	41.5	Very low	71 Å²	71	123.3 Å²	123.3	43%	0.43	64%	0.637	S	S	.	*			trans	-93.2	115.7	171.9	179.3	0	0	0	0	108	A395 K445	A395-V447 HydrophobicContact CB-CG1 4.05Å; K445-V447 HydrophobicContact CD-CG2 4.21Å; K445-V447 VanDerWaalsContact CE-CG2 3.41Å; K445-V447 HydrophobicContact CG-CG2 4.09Å; K445-V447 PolarHBondContact O-N 2.95Å
448	Y	45.4	Very low	41.4	Very low	123 Å²	123	125.3 Å²	125.3	48%	0.482	65%	0.648	S	S	.	*			trans	-93.8	113.2	169.4	-59.2	-82.9	0	0	0	109	I398 Q446	I398-Y448 HydrophobicContact CD1-CE2 4.43Å; Q446-Y448 HydrophobicContact CB-CE2 4.11Å; Q446-Y448 PolarHBondContact OE1-OH 3.06Å
449	S	45.2	Very low	41.2	Very low	99 Å²	99	124.2 Å²	124.2	69%	0.692	64%	0.635	S	S	*	*			trans	-119.3	119.9	163.5	59.3	0	0	0	0	108.5
450	K	41.1	Very low	41	Very low	158 Å²	158	121.9 Å²	121.9	69%	0.687	61%	0.613	S	S	*	*			trans	-129.9	128.2	169.2	-165.8	169.7	-177.4	173.7	0	109.8
451	E	39	Very low	41	Very low	181 Å²	181	120.7 Å²	120.7	85%	0.846	60%	0.602	S	S	*	*			trans	-80.6	130.8	-175.5	-63.1	176.3	170	0	0	111.2
452	R	33.3	Very low	41.1	Very low	198 Å²	198	121.3 Å²	121.3	75%	0.747	60%	0.604	S	S	*	*			trans	-154.1	135.7	158.1	-131.5	-171.6	-70.4	-152.1	4.2	109.1	T460	R452-T460 WeakPolarHBondContact O-CG2 3.42Å
453	T	35	Very low	41.4	Very low	121 Å²	121	117.9 Å²	117.9	74%	0.742	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-83.4	124.3	178.3	40	0	0	0	0	110.4
454	L	33.6	Very low	41.5	Very low	99 Å²	99	112.4 Å²	112.4	52%	0.518	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-99.9	140.7	157.7	-79.9	162.6	0	0	0	108.4	Y459	L454-Y459 HydrophobicContact CB-CE2 4.38Å; L454-Y459 HydrophobicContact CD1-CE2 3.91Å
455	E	35.5	Very low	41.8	Very low	202 Å²	202	109.7 Å²	109.7	94%	0.944	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	136.9	-176.7	-75.9	177.2	144.4	0	0	111.9
456	G	48.7	Very low	42.3	Very low	85 Å²	85	103.6 Å²	103.6	88%	0.876	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-27.3	165	0	0	0	0	0	116
457	E	45.6	Very low	43.2	Very low	130 Å²	130	102 Å²	102	61%	0.607	54%	0.54	S	S	*	.	S	Bend	trans	-142.7	131.8	175.2	-68.1	-176.2	172.9	0	0	108.9	Y459	E457-Y459 HydrophobicContact CB-CD1 3.43Å; E457-Y459 VanDerWaalsContact CB-CD1 3.43Å; E457-Y459 HydrophobicContact CB-CE1 3.44Å; E457-Y459 VanDerWaalsContact CB-CE1 3.44Å; E457-Y459 HydrophobicContact CG-CE1 4.29Å; E457-Y459 PolarHBondContact O-N 3.14Å; E457-Y459 WeakPolarHBondContact OE2-CE1 3.03Å
458	N	45.9	Very low	43.8	Very low	106 Å²	106	101.3 Å²	101.3	57%	0.567	53%	0.53	S	S	*	.			trans	-79.2	53.8	-169.4	-144.2	-3.7	0	0	0	112	K495	N458-K495 PolarHBondContact O-NZ 3.32Å
459	Y	42.7	Very low	44.7	Very low	64 Å²	64	98.4 Å²	98.4	25%	0.251	52%	0.523	S	S	.	.			trans	-108	142.4	174.8	63.3	-102.7	0	0	0	111.2	L454 E457 T461	L454-Y459 HydrophobicContact CB-CE2 4.38Å; L454-Y459 HydrophobicContact CD1-CE2 3.91Å; E457-Y459 HydrophobicContact CB-CD1 3.43Å; E457-Y459 VanDerWaalsContact CB-CD1 3.43Å; E457-Y459 HydrophobicContact CB-CE1 3.44Å; E457-Y459 VanDerWaalsContact CB-CE1 3.44Å; E457-Y459 HydrophobicContact CG-CE1 4.29Å; E457-Y459 PolarHBondContact O-N 3.14Å; E457-Y459 WeakPolarHBondContact OE2-CE1 3.03Å; Y459-T461 WeakPolarHBondContact CD2-OG1 3.32Å; Y459-T461 WeakPolarHBondContact CE2-OG1 3.44Å
460	T	43.8	Very low	46	Very low	19 Å²	19	94.2 Å²	94.2	12%	0.117	49%	0.493	C	S	.	.			trans	-83.2	151	163.2	21.9	0	0	0	0	108.4	Y394 R452	Y394-T460 VanDerWaalsContact CE1-C 3.41Å; Y394-T460 WeakPolarHBondContact CE1-O 3.49Å; Y394-T460 WeakPolarHBondContact CE1-OG1 3.3Å; Y394-T460 PolarHBondContact OH-O 2.8Å; R452-T460 WeakPolarHBondContact O-CG2 3.42Å
461	T	38.7	Very low	47.6	Very low	85 Å²	85	93.4 Å²	93.4	52%	0.521	49%	0.49	S	S	.	.			trans	-134.6	128.5	165.6	-52.9	0	0	0	0	107.7	Y394 Y459	Y394-T461 WeakPolarHBondContact OH-CA 3.3Å; Y394-T461 PolarHBondContact OH-N 3.23Å; Y394-T461 VanDerWaalsContact OH-N 3.14Å; Y459-T461 WeakPolarHBondContact CD2-OG1 3.32Å; Y459-T461 WeakPolarHBondContact CE2-OG1 3.44Å
462	V	45	Very low	49.3	Very low	42 Å²	42	88 Å²	88	26%	0.255	47%	0.471	S	S	.	.			trans	-145	114.9	-172.9	169.6	0	0	0	0	104.6	Y394 Y396	Y394-V462 HydrophobicContact CE2-CB 4.16Å; Y394-V462 VanDerWaalsContact OH-CB 3.24Å; Y394-V462 WeakPolarHBondContact OH-CB 3.11Å; Y394-V462 VanDerWaalsContact OH-CG2 3.24Å; Y394-V462 WeakPolarHBondContact OH-CG2 3.23Å; Y394-V462 PolarHBondContact OH-N 2.81Å; Y396-V462 HydrophobicContact CE2-CB 4.16Å; Y396-V462 HydrophobicContact CE2-CG1 4.2Å; Y396-V462 WeakPolarHBondContact CE2-O 3.3Å; Y396-V462 PolarHBondContact OH-O 3.38Å
463	V	40.4	Very low	51.1	Low	125 Å²	125	85.9 Å²	85.9	76%	0.758	47%	0.468	S	S	*	.			trans	-83.1	122.3	179.5	-178.9	0	0	0	0	108.6
464	A	44.1	Very low	52.8	Low	31 Å²	31	83.2 Å²	83.2	26%	0.256	45%	0.446	S	S	.	.			trans	-129.7	122.6	169.3	0	0	0	0	0	109.7	Y396	Y396-A464 HydrophobicContact CD1-CB 4.06Å; Y396-A464 HydrophobicContact CD2-CB 3.71Å; Y396-A464 HydrophobicContact CE1-CB 4.41Å; Y396-A464 HydrophobicContact CE2-CB 4.06Å; Y396-A464 HydrophobicContact CG-CB 3.73Å
465	E	44.2	Very low	54.6	Low	120 Å²	120	81.2 Å²	81.2	56%	0.561	43%	0.434	S	S	*	.			trans	-94	119.9	175	-64	-173.9	136.5	0	0	109.1	K486	E465-K486 HydrophobicContact CB-CD 4.39Å; E465-K486 IonicContact OE1-NZ 3.52Å; E465-K486 PolarHBondContact OE1-NZ 3.07Å; E465-K486 VanDerWaalsContact OE1-NZ 3.09Å; E465-K486 WeakPolarHBondContact OE2-CE 3.25Å; E465-K486 IonicContact OE2-NZ 3.09Å; E465-K486 PolarHBondContact OE2-NZ 3.38Å
466	E	53.3	Low	56.3	Low	9 Å²	9	73.4 Å²	73.4	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.1	169.7	137.5	179.4	-122.1	0	0	109.8	I398 P399 R468 K486 Y487	I398-E466 VanDerWaalsContact C-OE1 3.25Å; I398-E466 WeakPolarHBondContact CA-OE1 3.48Å; I398-E466 HydrophobicContact CG1-CB 4.33Å; I398-E466 HydrophobicContact CG2-CG 4.26Å; I398-E466 WeakPolarHBondContact CG2-OE1 3.37Å; P399-E466 WeakPolarHBondContact CD-OE1 3.26Å; E466-R468 VanDerWaalsContact CD-NH2 3.34Å; E466-R468 HydrophobicContact CG-CG 3.85Å; E466-R468 VanDerWaalsContact OE1-CG 3.31Å; E466-R468 WeakPolarHBondContact OE1-CG 3.43Å; E466-R468 IonicContact OE1-CZ 2.99Å; E466-R468 IonicContact OE1-NE 2.89Å; E466-R468 PolarHBondContact OE1-NE 3.05Å; E466-R468 IonicContact OE1-NH2 3.57Å; E466-R468 PolarHBondContact OE1-NH2 3.04Å; E466-R468 IonicContact OE2-CZ 3.55Å; E466-R468 IonicContact OE2-NE 2.7Å; E466-R468 PolarHBondContact OE2-NE 2.85Å; E466-R468 IonicContact OE2-NH2 3.22Å; E466-R468 PolarHBondContact OE2-NH2 2.88Å; E466-K486 CarbonylContact O-C 3.51Å; E466-K486 WeakPolarHBondContact O-CA 3.42Å; E466-Y487 WeakPolarHBondContact CB-O 3.33Å; E466-Y487 WeakPolarHBondContact CG-O 3.44Å; E466-Y487 PolarHBondContact N-O 3.43Å; E466-Y487 PolarHBondContact O-N 2.85Å
467	V	59	Low	57.5	Low	74 Å²	74	69.6 Å²	69.6	45%	0.448	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.7	176.8	-178.2	0	0	0	0	109.2	K484 C485 K486	V467-K484 HydrophobicContact CG1-CB 3.45Å; V467-K484 VanDerWaalsContact CG1-CB 3.45Å; V467-K484 HydrophobicContact CG1-CD 4.01Å; V467-K484 HydrophobicContact CG1-CG 4.04Å; V467-C485 CarbonylContact C-O 3.42Å; V467-C485 WeakPolarHBondContact CA-O 3.48Å; V467-K486 HydrophobicContact CG2-CG 3.86Å
468	R	59.7	Low	58.6	Low	56 Å²	56	64.6 Å²	64.6	21%	0.211	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.6	177.7	-61.8	-171	-163.8	150.6	27.4	112.9	P399 E466 C470 K484 C485 Y487	P399-R468 VanDerWaalsContact CD-CZ 3.49Å; P399-R468 WeakPolarHBondContact O-CD 3.3Å; P399-R468 WeakPolarHBondContact O-CG 3.36Å; P399-R468 PolarHBondContact O-NE 3.19Å; E466-R468 VanDerWaalsContact CD-NH2 3.34Å; E466-R468 HydrophobicContact CG-CG 3.85Å; E466-R468 VanDerWaalsContact OE1-CG 3.31Å; E466-R468 WeakPolarHBondContact OE1-CG 3.43Å; E466-R468 IonicContact OE1-CZ 2.99Å; E466-R468 IonicContact OE1-NE 2.89Å; E466-R468 PolarHBondContact OE1-NE 3.05Å; E466-R468 IonicContact OE1-NH2 3.57Å; E466-R468 PolarHBondContact OE1-NH2 3.04Å; E466-R468 IonicContact OE2-CZ 3.55Å; E466-R468 IonicContact OE2-NE 2.7Å; E466-R468 PolarHBondContact OE2-NE 2.85Å; E466-R468 IonicContact OE2-NH2 3.22Å; E466-R468 PolarHBondContact OE2-NH2 2.88Å; R468-C470 PolarHBondContact O-N 3.37Å; R468-K484 CarbonylContact O-C 3.55Å; R468-K484 WeakPolarHBondContact O-CA 3.09Å; R468-C485 PolarHBondContact N-O 3.07Å; R468-C485 PolarHBondContact O-N 3.36Å; R468-Y487 HydrophobicContact CB-CD2 4.07Å; R468-Y487 HydrophobicContact CB-CE2 4.28Å; R468-Y487 HydrophobicContact CG-CD2 4.16Å
469	D	65.6	Low	59.8	Low	62 Å²	62	64.1 Å²	64.1	33%	0.332	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120	164.7	-75.3	-40.5	0	0	0	111.1	C482 E483 K484	D469-C482 HydrophobicContact CB-CB 3.44Å; D469-C482 VanDerWaalsContact CB-CB 3.44Å; D469-E483 CarbonylContact C-O 3.49Å; D469-E483 VanDerWaalsContact CA-O 3.28Å; D469-E483 WeakPolarHBondContact CA-O 3.48Å; D469-K484 WeakPolarHBondContact OD1-CD 3.17Å; D469-K484 WeakPolarHBondContact OD1-CE 3.29Å; D469-K484 IonicContact OD1-NZ 2.97Å; D469-K484 PolarHBondContact OD1-NZ 3.05Å; D469-K484 IonicContact OD2-NZ 3.7Å; D469-K484 PolarHBondContact OD2-NZ 3Å
470	C	72.1	Confident	61.1	Low	11 Å²	11	64.5 Å²	64.5	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	172.8	-179.7	70.6	0	0	0	0	109.7	R468 C472 C482 E483 C485 Y487	R468-C470 PolarHBondContact O-N 3.37Å; C470-C472 PolarHBondContact O-N 3.42Å; C470-C482 CarbonylContact O-C 3.49Å; C470-C482 WeakPolarHBondContact O-CA 3.28Å; C470-C482 WeakPolarHBondContact O-CB 3.43Å; C470-E483 PolarHBondContact N-O 3.24Å; C470-E483 PolarHBondContact O-N 2.85Å; C470-E483 PolarHBondContact SG-O 3.37Å; C470-E483 VanDerWaalsContact SG-O 3.38Å; C470-C485 HydrophobicContact CB-CB 3.47Å; C470-C485 VanDerWaalsContact CB-CB 3.47Å; C470-C485 WeakPolarHBondContact CB-SG 3.28Å; C470-C485 VanDerWaalsContact SG-CA 3.58Å; C470-C485 WeakPolarHBondContact SG-CB 3.29Å; C470-C485 PolarHBondContact SG-N 2.86Å; C470-C485 CovalentContact SG-SG 2Å; C470-C485 PolarHBondContact SG-SG 3.38Å; C470-Y487 HydrophobicContact CB-CE2 4.4Å
471	K	75.5	Confident	62.5	Low	141 Å²	141	69.2 Å²	69.2	61%	0.613	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	45.3	39.8	-179.6	-50.7	-160.1	-151.5	143.2	0	113.6	E483	K471-E483 HydrophobicContact CB-CB 4.24Å; K471-E483 HydrophobicContact CB-CG 4.15Å; K471-E483 VanDerWaalsContact CD-OE2 3.23Å; K471-E483 WeakPolarHBondContact CD-OE2 3.49Å; K471-E483 WeakPolarHBondContact CE-OE2 3.46Å; K471-E483 IonicContact NZ-OE1 2.7Å; K471-E483 IonicContact NZ-OE2 2.69Å; K471-E483 PolarHBondContact NZ-OE2 2.96Å
472	C	74	Confident	64.2	Low	68 Å²	68	67.1 Å²	67.1	46%	0.459	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.6	-174.9	-65.9	0	0	0	0	112.8	C470 V480 K481 C482	C470-C472 PolarHBondContact O-N 3.42Å; C472-V480 HydrophobicContact CB-CG1 3.55Å; C472-K481 CarbonylContact C-O 3.49Å; C472-K481 WeakPolarHBondContact CA-O 3.35Å; C472-C482 VanDerWaalsContact CA-SG 3.58Å; C472-C482 HydrophobicContact CB-CB 4.06Å; C472-C482 WeakPolarHBondContact CB-SG 3.36Å; C472-C482 WeakPolarHBondContact SG-CB 3.44Å; C472-C482 CovalentContact SG-SG 2.03Å; C472-C482 PolarHBondContact SG-SG 3.1Å
473	K	71.4	Confident	65.8	Low	153 Å²	153	69.8 Å²	69.8	67%	0.665	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.9	172.9	-68.5	-175.3	-178.8	178.5	0	110.4	Q475 K481	K473-Q475 PolarHBondContact O-NE2 3.44Å; K473-K481 PolarHBondContact N-O 2.98Å; K473-K481 PolarHBondContact O-N 3.34Å
474	F	69.9	Low	67.4	Low	66 Å²	66	70.3 Å²	70.3	29%	0.289	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.8	173.2	-176.8	-100	0	0	0	111.1	N409 C477 V480	N409-F474 HydrophobicContact CB-CE1 3.74Å; N409-F474 HydrophobicContact CB-CE2 4.37Å; N409-F474 HydrophobicContact CB-CZ 3.53Å; N409-F474 WeakPolarHBondContact O-CE1 3.3Å; N409-F474 WeakPolarHBondContact O-CZ 3.22Å; F474-C477 WeakPolarHBondContact CZ-O 3.39Å; F474-V480 HydrophobicContact CD2-CG2 4.06Å
475	Q	71.9	Confident	68.6	Low	56 Å²	56	70 Å²	70	26%	0.262	34%	0.343	S	S	.	.			trans	-96.9	-75.5	177	-59	-63.5	-66.1	0	0	110.4	N412 K473 E479 K481	N412-Q475 WeakPolarHBondContact CB-O 3.43Å; K473-Q475 PolarHBondContact O-NE2 3.44Å; Q475-E479 HydrophobicContact CB-CB 4.14Å; Q475-E479 HydrophobicContact CB-CG 4.17Å; Q475-E479 WeakPolarHBondContact CB-O 3.11Å; Q475-E479 HydrophobicContact CG-CG 4.24Å; Q475-E479 PolarHBondContact N-O 3.11Å; Q475-K481 HydrophobicContact CG-CB 4.28Å; Q475-K481 HydrophobicContact CG-CD 3.88Å; Q475-K481 HydrophobicContact CG-CG 3.71Å
476	W	70.1	Confident	69.6	Low	39 Å²	39	70.2 Å²	70.2	15%	0.148	34%	0.342	C	S	.	.	S	Bend	trans	-174	167.7	173.2	61.4	-74.4	0	0	0	110.5	N409 L413 E417 F421 L427 C478 E479	N409-W476 CarbonylContact O-C 3.52Å; L413-W476 HydrophobicContact CD1-CD2 3.54Å; L413-W476 HydrophobicContact CD1-CE3 3.6Å; L413-W476 HydrophobicContact CD1-CG 4.04Å; L413-W476 HydrophobicContact CD1-CH2 4.17Å; L413-W476 HydrophobicContact CD1-CZ2 4.12Å; L413-W476 HydrophobicContact CD1-CZ3 3.91Å; E417-W476 HydrophobicContact CG-CZ2 4.11Å; F421-W476 HydrophobicContact CE2-CH2 4.04Å; F421-W476 HydrophobicContact CE2-CZ3 4.31Å; F421-W476 HydrophobicContact CZ-CH2 4.02Å; F421-W476 HydrophobicContact CZ-CZ3 4.37Å; L427-W476 HydrophobicContact CD1-CE3 4.24Å; L427-W476 HydrophobicContact CD1-CZ3 3.62Å; W476-C478 PolarHBondContact O-N 3.41Å; W476-E479 WeakPolarHBondContact O-CB 3.19Å; W476-E479 PolarHBondContact O-N 3.48Å
477	C	74	Confident	69.9	Low	5 Å²	5	74.7 Å²	74.7	3%	0.034	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	55.2	-100.5	-164.6	-64.8	0	0	0	0	110.9	V408 N409 C431 F474	V408-C477 WeakPolarHBondContact CA-O 3.39Å; N409-C477 PolarHBondContact N-O 3.15Å; N409-C477 PolarHBondContact O-N 2.9Å; C431-C477 VanDerWaalsContact CA-SG 3.52Å; C431-C477 HydrophobicContact CB-CB 3.61Å; C431-C477 WeakPolarHBondContact CB-SG 3.06Å; C431-C477 WeakPolarHBondContact SG-CB 3.48Å; C431-C477 CovalentContact SG-SG 2.03Å; C431-C477 PolarHBondContact SG-SG 3.36Å; F474-C477 WeakPolarHBondContact CZ-O 3.39Å
478	C	69	Low	69.8	Low	25 Å²	25	75.5 Å²	75.5	17%	0.169	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	8.5	175.8	-68.5	0	0	0	0	111.9	C406 K436 W476 V480	C406-C478 HydrophobicContact CB-CB 3.62Å; C406-C478 WeakPolarHBondContact CB-SG 3.13Å; C406-C478 WeakPolarHBondContact SG-CB 3.42Å; C406-C478 CovalentContact SG-SG 2.05Å; C406-C478 PolarHBondContact SG-SG 3.1Å; K436-C478 WeakPolarHBondContact O-CB 3.38Å; W476-C478 PolarHBondContact O-N 3.41Å; C478-V480 PolarHBondContact O-N 3.13Å
479	E	70.9	Confident	69.8	Low	95 Å²	95	77.8 Å²	77.8	44%	0.444	37%	0.374	S	S	.	.			trans	-78	124.5	-177.6	-172.3	-176.2	161.1	0	0	110.6	Q475 W476	Q475-E479 HydrophobicContact CB-CB 4.14Å; Q475-E479 HydrophobicContact CB-CG 4.17Å; Q475-E479 WeakPolarHBondContact CB-O 3.11Å; Q475-E479 HydrophobicContact CG-CG 4.24Å; Q475-E479 PolarHBondContact N-O 3.11Å; W476-E479 WeakPolarHBondContact O-CB 3.19Å; W476-E479 PolarHBondContact O-N 3.48Å
480	V	71.1	Confident	69.9	Low	73 Å²	73	78.9 Å²	78.9	44%	0.442	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.2	176.2	-177.6	0	0	0	0	108.6	C472 F474 C478	C472-V480 HydrophobicContact CB-CG1 3.55Å; F474-V480 HydrophobicContact CD2-CG2 4.06Å; C478-V480 PolarHBondContact O-N 3.13Å
481	K	73.3	Confident	70.2	Confident	117 Å²	117	80.8 Å²	80.8	51%	0.509	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.8	172.6	-75.2	-178	-175.4	165.2	0	110.1	C472 K473 Q475	C472-K481 CarbonylContact C-O 3.49Å; C472-K481 WeakPolarHBondContact CA-O 3.35Å; K473-K481 PolarHBondContact N-O 2.98Å; K473-K481 PolarHBondContact O-N 3.34Å; Q475-K481 HydrophobicContact CG-CB 4.28Å; Q475-K481 HydrophobicContact CG-CD 3.88Å; Q475-K481 HydrophobicContact CG-CG 3.71Å
482	C	74.2	Confident	70.6	Confident	41 Å²	41	74.9 Å²	74.9	28%	0.277	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.4	178.4	-54.3	0	0	0	0	111.3	D469 C470 C472	D469-C482 HydrophobicContact CB-CB 3.44Å; D469-C482 VanDerWaalsContact CB-CB 3.44Å; C470-C482 CarbonylContact O-C 3.49Å; C470-C482 WeakPolarHBondContact O-CA 3.28Å; C470-C482 WeakPolarHBondContact O-CB 3.43Å; C472-C482 VanDerWaalsContact CA-SG 3.58Å; C472-C482 HydrophobicContact CB-CB 4.06Å; C472-C482 WeakPolarHBondContact CB-SG 3.36Å; C472-C482 WeakPolarHBondContact SG-CB 3.44Å; C472-C482 CovalentContact SG-SG 2.03Å; C472-C482 PolarHBondContact SG-SG 3.1Å
483	E	78.6	Confident	71.2	Confident	98 Å²	98	73.8 Å²	73.8	46%	0.458	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	159.3	162.3	-68.7	179.7	-158.2	0	0	109.8	D469 C470 K471	D469-E483 CarbonylContact C-O 3.49Å; D469-E483 VanDerWaalsContact CA-O 3.28Å; D469-E483 WeakPolarHBondContact CA-O 3.48Å; C470-E483 PolarHBondContact N-O 3.24Å; C470-E483 PolarHBondContact O-N 2.85Å; C470-E483 PolarHBondContact SG-O 3.37Å; C470-E483 VanDerWaalsContact SG-O 3.38Å; K471-E483 HydrophobicContact CB-CB 4.24Å; K471-E483 HydrophobicContact CB-CG 4.15Å; K471-E483 VanDerWaalsContact CD-OE2 3.23Å; K471-E483 WeakPolarHBondContact CD-OE2 3.49Å; K471-E483 WeakPolarHBondContact CE-OE2 3.46Å; K471-E483 IonicContact NZ-OE1 2.7Å; K471-E483 IonicContact NZ-OE2 2.69Å; K471-E483 PolarHBondContact NZ-OE2 2.96Å
484	K	73.6	Confident	72	Confident	136 Å²	136	66.7 Å²	66.7	59%	0.591	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	101.9	175	-72.7	-56.4	-176.1	-169.1	0	109.4	V467 R468 D469	V467-K484 HydrophobicContact CG1-CB 3.45Å; V467-K484 VanDerWaalsContact CG1-CB 3.45Å; V467-K484 HydrophobicContact CG1-CD 4.01Å; V467-K484 HydrophobicContact CG1-CG 4.04Å; R468-K484 CarbonylContact O-C 3.55Å; R468-K484 WeakPolarHBondContact O-CA 3.09Å; D469-K484 WeakPolarHBondContact OD1-CD 3.17Å; D469-K484 WeakPolarHBondContact OD1-CE 3.29Å; D469-K484 IonicContact OD1-NZ 2.97Å; D469-K484 PolarHBondContact OD1-NZ 3.05Å; D469-K484 IonicContact OD2-NZ 3.7Å; D469-K484 PolarHBondContact OD2-NZ 3Å
485	C	68.5	Low	72.9	Confident	25 Å²	25	67 Å²	67	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.9	176.9	-74.6	0	0	0	0	111.6	V467 R468 C470 Y487	V467-C485 CarbonylContact C-O 3.42Å; V467-C485 WeakPolarHBondContact CA-O 3.48Å; R468-C485 PolarHBondContact N-O 3.07Å; R468-C485 PolarHBondContact O-N 3.36Å; C470-C485 HydrophobicContact CB-CB 3.47Å; C470-C485 VanDerWaalsContact CB-CB 3.47Å; C470-C485 WeakPolarHBondContact CB-SG 3.28Å; C470-C485 VanDerWaalsContact SG-CA 3.58Å; C470-C485 WeakPolarHBondContact SG-CB 3.29Å; C470-C485 PolarHBondContact SG-N 2.86Å; C470-C485 CovalentContact SG-SG 2Å; C470-C485 PolarHBondContact SG-SG 3.38Å; C485-Y487 HydrophobicContact CB-CD2 4.11Å; C485-Y487 HydrophobicContact CB-CE2 3.38Å
486	K	66.2	Low	72.9	Confident	124 Å²	124	67.5 Å²	67.5	54%	0.539	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.5	171.6	-70.8	-179.8	-176.6	-172.3	0	111.8	E465 E466 V467	E465-K486 HydrophobicContact CB-CD 4.39Å; E465-K486 IonicContact OE1-NZ 3.52Å; E465-K486 PolarHBondContact OE1-NZ 3.07Å; E465-K486 VanDerWaalsContact OE1-NZ 3.09Å; E465-K486 WeakPolarHBondContact OE2-CE 3.25Å; E465-K486 IonicContact OE2-NZ 3.09Å; E465-K486 PolarHBondContact OE2-NZ 3.38Å; E466-K486 CarbonylContact O-C 3.51Å; E466-K486 WeakPolarHBondContact O-CA 3.42Å; V467-K486 HydrophobicContact CG2-CG 3.86Å
487	Y	59.1	Low	73	Confident	103 Å²	103	69 Å²	69	40%	0.404	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.9	170.7	-62.8	-80.4	0	0	0	108.8	E466 R468 C470 C485	E466-Y487 WeakPolarHBondContact CB-O 3.33Å; E466-Y487 WeakPolarHBondContact CG-O 3.44Å; E466-Y487 PolarHBondContact N-O 3.43Å; E466-Y487 PolarHBondContact O-N 2.85Å; R468-Y487 HydrophobicContact CB-CD2 4.07Å; R468-Y487 HydrophobicContact CB-CE2 4.28Å; R468-Y487 HydrophobicContact CG-CD2 4.16Å; C470-Y487 HydrophobicContact CB-CE2 4.4Å; C485-Y487 HydrophobicContact CB-CD2 4.11Å; C485-Y487 HydrophobicContact CB-CE2 3.38Å
488	I	57.5	Low	73	Confident	92 Å²	92	72.6 Å²	72.6	47%	0.472	35%	0.347	S	S	.	.			trans	-120.2	112.7	173.3	-56.8	177.4	0	0	0	105.3	Y396 E490	Y396-I488 HydrophobicContact CD1-CG2 4.2Å; Y396-I488 HydrophobicContact CE1-CG2 3.72Å; I488-E490 HydrophobicContact CG2-CG 4.17Å
489	M	59.6	Low	73.2	Confident	104 Å²	104	75.4 Å²	75.4	51%	0.512	36%	0.357	S	S	.	.			trans	-111.3	117.3	174.1	-64	-65.1	-63.1	0	0	108.7
490	E	67.7	Low	73.4	Confident	84 Å²	84	74.1 Å²	74.1	39%	0.393	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.5	178.4	-67	-178.6	168	0	0	109.8	Y396 I488	Y396-E490 HydrophobicContact CD1-CG 4.23Å; Y396-E490 HydrophobicContact CE1-CG 3.49Å; Y396-E490 VanDerWaalsContact CE1-CG 3.49Å; Y396-E490 PolarHBondContact OH-OE1 3.21Å; I488-E490 HydrophobicContact CG2-CG 4.17Å
491	E	78.7	Confident	73.5	Confident	51 Å²	51	74.2 Å²	74.2	24%	0.238	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	166.4	-57	-162.2	144.6	0	0	110.1	K372 Y394 A395 F397 H493	K372-E491 VanDerWaalsContact NZ-CD 3.33Å; K372-E491 IonicContact NZ-OE1 3.31Å; K372-E491 PolarHBondContact NZ-OE1 3.33Å; K372-E491 IonicContact NZ-OE2 2.7Å; Y394-E491 CarbonylContact C-O 3.56Å; Y394-E491 WeakPolarHBondContact CA-O 3.48Å; Y394-E491 WeakPolarHBondContact CB-O 3.5Å; A395-E491 PolarHBondContact N-O 2.97Å; A395-E491 PolarHBondContact O-N 3.49Å; A395-E491 VanDerWaalsContact O-N 3.11Å; F397-E491 HydrophobicContact CD2-CB 4.44Å; F397-E491 HydrophobicContact CD2-CG 3.84Å; F397-E491 HydrophobicContact CE2-CB 3.77Å; F397-E491 HydrophobicContact CE2-CG 3.45Å; F397-E491 VanDerWaalsContact CE2-CG 3.45Å; F397-E491 WeakPolarHBondContact CE2-OE2 3.09Å; F397-E491 HydrophobicContact CZ-CG 4.19Å; F397-E491 WeakPolarHBondContact CZ-OE2 3.28Å; E491-H493 IonicContact OE2-NE2 2.65Å
492	H	83.6	Confident	73.6	Confident	18 Å²	18	71.1 Å²	71.1	8%	0.083	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.3	179.5	-53.3	84.5	0	0	0	110.3	K372 C373 C383 Y392 V393	K372-H492 CarbonylContact C-O 3.56Å; K372-H492 WeakPolarHBondContact CA-O 3.44Å; C373-H492 PolarHBondContact N-O 2.96Å; C383-H492 VanDerWaalsContact SG-CB 3.6Å; Y392-H492 HydrophobicContact CD2-CB 3.89Å; Y392-H492 AromaticContact CD2-CD2 3.43Å; Y392-H492 VanDerWaalsContact CD2-CD2 3.43Å; Y392-H492 WeakPolarHBondContact CD2-CD2 3.17Å; Y392-H492 AromaticContact CD2-CG 3.98Å; Y392-H492 AromaticContact CE2-CD2 3.33Å; Y392-H492 WeakPolarHBondContact CE2-CD2 3.37Å; Y392-H492 HydrophobicContact CG-CB 4.4Å; V393-H492 CarbonylContact O-C 3.49Å; V393-H492 VanDerWaalsContact O-CA 3.27Å; V393-H492 WeakPolarHBondContact O-CA 3.35Å
493	H	87.1	Confident	73.5	Confident	45 Å²	45	73.5 Å²	73.5	21%	0.208	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.3	-179.3	-70.3	-100.1	0	0	0	110.7	G370 R371 Y392 V393 E491	G370-H493 PolarHBondContact O-ND1 3Å; R371-H493 CarbonylContact O-C 3.32Å; R371-H493 VanDerWaalsContact O-CA 3.23Å; R371-H493 WeakPolarHBondContact O-CA 3.47Å; Y392-H493 CarbonylContact C-O 3.51Å; Y392-H493 WeakPolarHBondContact CA-O 3.46Å; Y392-H493 WeakPolarHBondContact CB-O 3.37Å; V393-H493 HydrophobicContact CG2-CB 4.08Å; V393-H493 PolarHBondContact N-O 2.73Å; V393-H493 PolarHBondContact O-N 2.95Å; E491-H493 IonicContact OE2-NE2 2.65Å
494	C	88.4	Confident	73.1	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.02	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.2	-179.8	-61.7	0	0	0	0	113.3	T368 G370 R371 C387	T368-C494 WeakPolarHBondContact O-CB 3.44Å; G370-C494 WeakPolarHBondContact CA-O 3.45Å; G370-C494 PolarHBondContact N-O 2.71Å; R371-C494 PolarHBondContact O-N 3.29Å; C387-C494 WeakPolarHBondContact CA-SG 3.48Å; C387-C494 HydrophobicContact CB-CB 3.55Å; C387-C494 WeakPolarHBondContact CB-SG 3.31Å; C387-C494 PolarHBondContact N-SG 2.88Å; C387-C494 VanDerWaalsContact N-SG 3.44Å; C387-C494 WeakPolarHBondContact SG-CA 3.48Å; C387-C494 WeakPolarHBondContact SG-CB 3.46Å; C387-C494 CovalentContact SG-SG 2.05Å; C387-C494 PolarHBondContact SG-SG 3.26Å
495	K	87.1	Confident	73	Confident	72 Å²	72	65.5 Å²	65.5	31%	0.313	31%	0.305	S	S	.	.			trans	-69.1	0	179.8	-79.2	174	173.2	174.9	0	114.6	K369 R390 G391 Y392 V393 N458	K369-K495 WeakPolarHBondContact CD-OXT 3.36Å; K369-K495 WeakPolarHBondContact CE-OXT 3.49Å; K369-K495 WeakPolarHBondContact CG-OXT 3.34Å; R390-K495 HydrophobicContact CB-CB 4.27Å; R390-K495 WeakPolarHBondContact CD-O 2.97Å; R390-K495 VanDerWaalsContact CZ-O 3.25Å; R390-K495 PolarHBondContact NE-O 3.43Å; R390-K495 PolarHBondContact NH1-O 3.03Å; R390-K495 WeakPolarHBondContact O-CD 3.32Å; G391-K495 PolarHBondContact O-N 3.15Å; G391-K495 VanDerWaalsContact O-N 3.09Å; Y392-K495 WeakPolarHBondContact O-CE 3.5Å; V393-K495 HydrophobicContact CG1-CD 4.41Å; V393-K495 HydrophobicContact CG1-CG 3.84Å; N458-K495 PolarHBondContact O-NZ 3.32Å

Retrieved 495 of 495 residues in 992.3 ms (Link to these results)

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