A0A077ZIJ1_TRITR Loading...

Galactose-1-phosphate uridylyltransferase

AlphaFold DB , UniProt , Accession A0A077ZIJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.9	Very low	48	Very low	235 Å²	235	152.3 Å²	152.3	100%	1.158	73%	0.729	S	S	*	*				0	121	0	-78.1	158.3	101.3	0	0	107.6	H3	M1-H3 PolarHBondContact O-N 3.11Å
2	K	31.9	Very low	49	Very low	213 Å²	213	144.7 Å²	144.7	93%	0.926	70%	0.695	S	S	*	*			trans	-70.6	112.5	177.6	-75.4	179.7	175.9	179.5	0	107.8	K4	K2-K4 PolarHBondContact O-N 3.16Å; K2-K4 VanDerWaalsContact O-N 3.07Å
3	H	35.1	Very low	49	Very low	189 Å²	189	140 Å²	140	88%	0.875	68%	0.684	S	S	*	*			trans	-56.1	113.8	165.7	-82.3	-81.4	0	0	0	107.7	M1 K5	M1-H3 PolarHBondContact O-N 3.11Å; H3-K5 PolarHBondContact O-N 2.92Å; H3-K5 VanDerWaalsContact O-N 3.13Å
4	K	36.2	Very low	49.4	Very low	201 Å²	201	140.4 Å²	140.4	87%	0.874	69%	0.69	S	S	*	*			trans	-65.2	108.9	167.1	-129.9	179.6	-179.5	-176.5	0	104.7	K2 E6	K2-K4 PolarHBondContact O-N 3.16Å; K2-K4 VanDerWaalsContact O-N 3.07Å; K4-E6 PolarHBondContact O-N 3.07Å; K4-E6 VanDerWaalsContact O-N 3.11Å
5	K	38.6	Very low	50	Low	206 Å²	206	133.3 Å²	133.3	90%	0.896	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-54.3	118	168.7	-97.4	-176.6	168.8	-172.6	0	106.8	H3 A7	H3-K5 PolarHBondContact O-N 2.92Å; H3-K5 VanDerWaalsContact O-N 3.13Å; K5-A7 PolarHBondContact O-N 3.21Å
6	E	51.4	Low	50.5	Low	155 Å²	155	126.8 Å²	126.8	72%	0.724	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.6	133.3	166.7	-72.2	179.1	164.3	0	0	107.3	K4 D8	K4-E6 PolarHBondContact O-N 3.07Å; K4-E6 VanDerWaalsContact O-N 3.11Å; E6-D8 PolarHBondContact O-N 3.31Å
7	A	56.9	Low	50.8	Low	56 Å²	56	126.3 Å²	126.3	46%	0.463	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-77.5	121.6	179.1	0	0	0	0	0	107.9	K5 I134	K5-A7 PolarHBondContact O-N 3.21Å; A7-I134 HydrophobicContact CB-CD1 4.43Å; A7-I134 HydrophobicContact CB-CG1 3.9Å; A7-I134 VanDerWaalsContact O-CD1 3.23Å; A7-I134 WeakPolarHBondContact O-CD1 3.05Å; A7-I134 VanDerWaalsContact O-CG1 3.31Å; A7-I134 WeakPolarHBondContact O-CG1 3.25Å
8	D	60.2	Low	51.5	Low	134 Å²	134	122.7 Å²	122.7	72%	0.717	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-81.4	148.7	177.1	-63.7	-41	0	0	0	111	E6 I10 I134	E6-D8 PolarHBondContact O-N 3.31Å; D8-I10 PolarHBondContact O-N 3.4Å; D8-I134 VanDerWaalsContact C-CD1 3.41Å; D8-I134 WeakPolarHBondContact O-CD1 3.41Å
9	L	64.5	Low	52.2	Low	85 Å²	85	119.7 Å²	119.7	45%	0.445	62%	0.617	S	S	.	*			trans	-69	109.3	170.6	-85	162.9	0	0	0	109.6	F11 T61 L131 I134	L9-F11 PolarHBondContact O-N 3.24Å; L9-T61 HydrophobicContact CD2-CG2 4.35Å; L9-L131 HydrophobicContact CD2-CD2 3.88Å; L9-I134 HydrophobicContact CB-CD1 4.26Å; L9-I134 HydrophobicContact CD2-CD1 3.9Å; L9-I134 HydrophobicContact CG-CD1 3.67Å
10	I	60.1	Low	53	Low	88 Å²	88	115.9 Å²	115.9	45%	0.451	60%	0.6	S	S	.	*			trans	-87.5	112.9	179.7	-56.6	176	0	0	0	109.5	D8 L12 L58 Q59	D8-I10 PolarHBondContact O-N 3.4Å; I10-L12 HydrophobicContact CG2-CD2 4.48Å; I10-L58 WeakPolarHBondContact O-CA 3.27Å; I10-Q59 HydrophobicContact CB-CB 3.99Å; I10-Q59 HydrophobicContact CG2-CB 4.45Å; I10-Q59 PolarHBondContact O-N 3.47Å
11	F	58.1	Low	53.3	Low	113 Å²	113	118.4 Å²	118.4	50%	0.496	61%	0.609	S	S	.	*	B	Isolated β-bridge	trans	-73.5	135.9	170.2	-171.7	-106.7	0	0	0	110.2	L9 P13 A16 T57 L58	L9-F11 PolarHBondContact O-N 3.24Å; F11-P13 HydrophobicContact CD1-CB 4.33Å; F11-P13 HydrophobicContact CD1-CG 3.97Å; F11-P13 HydrophobicContact CE1-CB 4.17Å; F11-P13 HydrophobicContact CE1-CG 4.32Å; F11-P13 VanDerWaalsContact O-CD 3.31Å; F11-P13 WeakPolarHBondContact O-CD 3.19Å; F11-A16 HydrophobicContact CZ-CB 4.12Å; F11-T57 CarbonylContact C-O 3.54Å; F11-T57 WeakPolarHBondContact CA-O 3.32Å; F11-T57 VanDerWaalsContact CD2-O 3.22Å; F11-T57 WeakPolarHBondContact CD2-O 3.41Å; F11-T57 HydrophobicContact CE2-CG2 4.19Å; F11-T57 HydrophobicContact CZ-CG2 4.33Å; F11-L58 HydrophobicContact CD2-CD2 4.18Å
12	L	60.8	Low	54.9	Low	61 Å²	61	108.3 Å²	108.3	32%	0.319	56%	0.559	S	S	.	*			trans	-106.2	92.6	177.5	-62.7	176.9	0	0	0	108.9	I10 L14 A15 T57 Q59	I10-L12 HydrophobicContact CG2-CD2 4.48Å; L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.85Å; L12-A15 HydrophobicContact CB-CB 4.1Å; L12-A15 WeakPolarHBondContact O-CB 3.31Å; L12-A15 PolarHBondContact O-N 3.44Å; L12-A15 VanDerWaalsContact O-N 3.09Å; L12-T57 PolarHBondContact N-O 3.24Å; L12-Q59 HydrophobicContact CD1-CB 4.13Å; L12-Q59 HydrophobicContact CD1-CG 4.46Å; L12-Q59 HydrophobicContact CD2-CB 4.26Å; L12-Q59 HydrophobicContact CG-CB 4.18Å
13	P	48.4	Very low	56.3	Low	84 Å²	84	103.1 Å²	103.1	55%	0.545	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-62.4	-35	-171.4	-19.7	31.2	0	0	0	112.9	F11 A15 A16	F11-P13 HydrophobicContact CD1-CB 4.33Å; F11-P13 HydrophobicContact CD1-CG 3.97Å; F11-P13 HydrophobicContact CE1-CB 4.17Å; F11-P13 HydrophobicContact CE1-CG 4.32Å; F11-P13 VanDerWaalsContact O-CD 3.31Å; F11-P13 WeakPolarHBondContact O-CD 3.19Å; P13-A15 VanDerWaalsContact C-N 3.25Å; P13-A15 PolarHBondContact O-N 2.83Å; P13-A16 VanDerWaalsContact O-CB 3.31Å; P13-A16 WeakPolarHBondContact O-CB 3.44Å; P13-A16 PolarHBondContact O-N 3.17Å
14	L	54.3	Low	57.4	Low	146 Å²	146	95.8 Å²	95.8	76%	0.764	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-65.4	-29	179.6	-64.6	175.9	0	0	0	112.6	L12 A16 N17	L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.85Å; L14-A16 PolarHBondContact O-N 2.96Å; L14-N17 WeakPolarHBondContact O-CB 3.36Å; L14-N17 PolarHBondContact O-N 3.37Å
15	A	58.1	Low	58.8	Low	33 Å²	33	90.2 Å²	90.2	27%	0.273	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-75	-12.4	175.7	0	0	0	0	0	112.6	L12 P13 Q56 T57	L12-A15 HydrophobicContact CB-CB 4.1Å; L12-A15 WeakPolarHBondContact O-CB 3.31Å; L12-A15 PolarHBondContact O-N 3.44Å; L12-A15 VanDerWaalsContact O-N 3.09Å; P13-A15 VanDerWaalsContact C-N 3.25Å; P13-A15 PolarHBondContact O-N 2.83Å; A15-Q56 VanDerWaalsContact CB-O 3.3Å; A15-Q56 WeakPolarHBondContact CB-O 3.35Å; A15-T57 HydrophobicContact CB-CG2 4.11Å
16	A	58.1	Low	60.2	Low	29 Å²	29	87 Å²	87	24%	0.24	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-84.6	-15.9	173.6	0	0	0	0	0	112.4	F11 P13 L14 G18 K19 T57	F11-A16 HydrophobicContact CZ-CB 4.12Å; P13-A16 VanDerWaalsContact O-CB 3.31Å; P13-A16 WeakPolarHBondContact O-CB 3.44Å; P13-A16 PolarHBondContact O-N 3.17Å; L14-A16 PolarHBondContact O-N 2.96Å; A16-G18 PolarHBondContact O-N 3.3Å; A16-K19 HydrophobicContact CB-CD 4.32Å; A16-K19 WeakPolarHBondContact O-CB 3.48Å; A16-K19 PolarHBondContact O-N 2.8Å; A16-T57 HydrophobicContact CB-CG2 3.66Å
17	N	56.6	Low	61.2	Low	119 Å²	119	84.5 Å²	84.5	64%	0.636	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	124.5	-179.3	-76.1	-18.6	0	0	0	110.5	L14 K19	L14-N17 WeakPolarHBondContact O-CB 3.36Å; L14-N17 PolarHBondContact O-N 3.37Å; N17-K19 VanDerWaalsContact C-N 3.35Å
18	G	62.5	Low	62	Low	61 Å²	61	87.3 Å²	87.3	63%	0.629	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	9	-178	0	0	0	0	0	114.7	A16 Y55	A16-G18 PolarHBondContact O-N 3.3Å; G18-Y55 WeakPolarHBondContact O-CE1 3.3Å; G18-Y55 VanDerWaalsContact O-CZ 3.28Å; G18-Y55 PolarHBondContact O-OH 2.99Å
19	K	65.6	Low	62.7	Low	67 Å²	67	84 Å²	84	29%	0.291	49%	0.487	S	S	.	.			trans	-57.2	127.2	167	-87.1	-174.4	173.6	-175.8	0	109.2	A16 N17 Q21 Y55 T57	A16-K19 HydrophobicContact CB-CD 4.32Å; A16-K19 WeakPolarHBondContact O-CB 3.48Å; A16-K19 PolarHBondContact O-N 2.8Å; N17-K19 VanDerWaalsContact C-N 3.35Å; K19-Q21 PolarHBondContact O-N 3.37Å; K19-Y55 HydrophobicContact CB-CD1 4.48Å; K19-Y55 HydrophobicContact CD-CG 4.38Å; K19-Y55 WeakPolarHBondContact CE-O 3.27Å; K19-Y55 HydrophobicContact CG-CD1 3.62Å; K19-Y55 HydrophobicContact CG-CD2 3.86Å; K19-Y55 HydrophobicContact CG-CE1 4.22Å; K19-Y55 HydrophobicContact CG-CE2 4.45Å; K19-Y55 HydrophobicContact CG-CG 3.41Å; K19-Y55 VanDerWaalsContact CG-CG 3.41Å; K19-T57 HydrophobicContact CD-CG2 4.3Å; K19-T57 PolarHBondContact NZ-OG1 3.44Å
20	P	66.8	Low	63.7	Low	42 Å²	42	80.4 Å²	80.4	27%	0.273	47%	0.468	S	S	.	.			trans	-64.3	135.4	176.6	26.2	-32.6	0	0	0	109.8	P31 L121	P20-P31 HydrophobicContact CB-CG 4.11Å; P20-P31 HydrophobicContact CG-CB 4.18Å; P20-P31 HydrophobicContact CG-CG 3.75Å; P20-L121 HydrophobicContact CB-CD2 4.47Å; P20-L121 HydrophobicContact CG-CD2 4.45Å
21	Q	61.1	Low	64.9	Low	169 Å²	169	78.1 Å²	78.1	79%	0.79	46%	0.459	S	S	*	.			trans	-110.1	117.3	166.4	-65.5	-174.5	7.1	0	0	107.1	K19	K19-Q21 PolarHBondContact O-N 3.37Å
22	H	66.8	Low	66.4	Low	24 Å²	24	73.7 Å²	73.7	11%	0.111	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-142.6	90.1	-179.9	-168.6	-58.6	0	0	0	109.1	G24 E26 T28 G29 C30 H72 S120 L121 K122	H22-G24 PolarHBondContact CE1-O 3.43Å; H22-G24 VanDerWaalsContact CE1-O 3.3Å; H22-G24 PolarHBondContact ND1-O 3.31Å; H22-E26 PolarHBondContact CE1-O 3.28Å; H22-E26 PolarHBondContact NE2-O 3.44Å; H22-T28 PolarHBondContact NE2-O 3.34Å; H22-G29 PolarHBondContact CD2-O 3.4Å; H22-C30 PolarHBondContact CD2-N 2.88Å; H22-H72 AromaticContact CE1-CE1 3.77Å; H22-H72 AromaticContact CE1-NE2 3.93Å; H22-H72 AromaticContact ND1-CE1 3.78Å; H22-S120 PolarHBondContact N-O 2.89Å; H22-L121 HydrophobicContact CB-CD2 3.79Å; H22-L121 CarbonylContact O-C 3.54Å; H22-L121 VanDerWaalsContact O-CA 3.24Å; H22-L121 WeakPolarHBondContact O-CA 3.48Å; H22-K122 PolarHBondContact O-N 3.01Å
23	L	62.4	Low	67.6	Low	104 Å²	104	72.5 Å²	72.5	55%	0.545	44%	0.437	S	S	.	.			trans	-100.9	-0.1	-179.9	-67.3	169.1	0	0	0	112.5
24	G	58.7	Low	69.3	Low	35 Å²	35	76.7 Å²	76.7	36%	0.361	45%	0.449	S	S	.	.	S	Bend	trans	-80	160.3	-178.3	0	0	0	0	0	112.8	H22 H72	H22-G24 PolarHBondContact CE1-O 3.43Å; H22-G24 VanDerWaalsContact CE1-O 3.3Å; H22-G24 PolarHBondContact ND1-O 3.31Å; G24-H72 PolarHBondContact O-NE2 3.21Å
25	S	65.1	Low	70.8	Confident	84 Å²	84	71.6 Å²	71.6	59%	0.587	42%	0.419	S	S	*	.	S	Bend	trans	-76	-12.2	170.9	53	0	0	0	0	113.3	N73	S25-N73 PolarHBondContact O-OD1 3.48Å
26	E	67.6	Low	72	Confident	138 Å²	138	74.1 Å²	74.1	65%	0.645	44%	0.44	S	S	*	.			trans	-74.1	128.5	-178.9	-62.5	-162.8	-169.7	0	0	111.6	H22 T28	H22-E26 PolarHBondContact CE1-O 3.28Å; H22-E26 PolarHBondContact NE2-O 3.44Å; E26-T28 PolarHBondContact O-N 3.08Å
27	K	72.4	Confident	73.2	Confident	103 Å²	103	74.9 Å²	74.9	45%	0.448	44%	0.439	S	S	.	.	S	Bend	trans	-62.9	-30	176	-63.6	-168.4	175.4	-170.4	0	112.5	G29 C30 D71 H72	K27-G29 PolarHBondContact O-N 3.27Å; K27-C30 VanDerWaalsContact O-CB 3.31Å; K27-C30 WeakPolarHBondContact O-CB 3.47Å; K27-C30 PolarHBondContact O-N 2.81Å; K27-D71 WeakPolarHBondContact CE-OD1 3.27Å; K27-D71 IonicContact NZ-OD1 3.32Å; K27-D71 PolarHBondContact NZ-OD1 3.09Å; K27-H72 HydrophobicContact CD-CB 4.36Å; K27-H72 HydrophobicContact CG-CB 3.87Å
28	T	73.1	Confident	74.7	Confident	115 Å²	115	77.1 Å²	77.1	71%	0.706	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	122.2	-178.1	-45.4	0	0	0	0	110.6	H22 E26 C30	H22-T28 PolarHBondContact NE2-O 3.34Å; E26-T28 PolarHBondContact O-N 3.08Å; T28-C30 VanDerWaalsContact C-N 3.33Å
29	G	76.3	Confident	75.9	Confident	65 Å²	65	81.4 Å²	81.4	67%	0.67	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-0.9	-179.8	0	0	0	0	0	115.3	H22 K27	H22-G29 PolarHBondContact CD2-O 3.4Å; K27-G29 PolarHBondContact O-N 3.27Å
30	C	84	Confident	77.2	Confident	8 Å²	8	79.5 Å²	79.5	5%	0.054	44%	0.44	C	S	.	.			trans	-71.7	122.4	171.9	176.6	0	0	0	0	110	H22 K27 T28 F32 C33 H72 H123	H22-C30 PolarHBondContact CD2-N 2.88Å; K27-C30 VanDerWaalsContact O-CB 3.31Å; K27-C30 WeakPolarHBondContact O-CB 3.47Å; K27-C30 PolarHBondContact O-N 2.81Å; T28-C30 VanDerWaalsContact C-N 3.33Å; C30-F32 PolarHBondContact O-N 3.33Å; C30-F32 PolarHBondContact SG-N 3.01Å; C30-C33 HydrophobicContact CB-CB 4.05Å; C30-H72 PolarHBondContact SG-ND1 2.91Å; C30-H72 VanDerWaalsContact SG-ND1 3.36Å; C30-H123 VanDerWaalsContact SG-CB 3.56Å
31	P	85.6	Confident	78.5	Confident	41 Å²	41	80.1 Å²	80.1	27%	0.266	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.2	-178.8	30.5	-38.1	0	0	0	113.6	P20 L121	P20-P31 HydrophobicContact CB-CG 4.11Å; P20-P31 HydrophobicContact CG-CB 4.18Å; P20-P31 HydrophobicContact CG-CG 3.75Å; P31-L121 HydrophobicContact CG-CD1 4.1Å; P31-L121 HydrophobicContact CG-CD2 3.83Å
32	F	89.9	Confident	80.2	Confident	19 Å²	19	75.4 Å²	75.4	8%	0.083	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-22	-176.3	-60.4	-18.3	0	0	0	113.6	C30 Y35 I65 I67 L121 H123 H125	C30-F32 PolarHBondContact O-N 3.33Å; C30-F32 PolarHBondContact SG-N 3.01Å; F32-Y35 HydrophobicContact CD1-CD2 4.15Å; F32-Y35 HydrophobicContact CD1-CE2 4.44Å; F32-I65 HydrophobicContact CE2-CG2 4.26Å; F32-I65 HydrophobicContact CZ-CD1 4.04Å; F32-I65 HydrophobicContact CZ-CG2 4Å; F32-I67 HydrophobicContact CB-CD1 3.97Å; F32-I67 HydrophobicContact CB-CG1 4.28Å; F32-I67 HydrophobicContact CB-CG2 4.11Å; F32-I67 HydrophobicContact CD1-CD1 3.66Å; F32-I67 HydrophobicContact CD1-CG1 4.1Å; F32-I67 HydrophobicContact CD2-CG1 4.22Å; F32-I67 HydrophobicContact CE1-CD1 4.32Å; F32-I67 HydrophobicContact CG-CD1 3.83Å; F32-I67 HydrophobicContact CG-CG1 3.95Å; F32-L121 HydrophobicContact CD2-CD1 4.09Å; F32-L121 HydrophobicContact CE1-CD1 4.06Å; F32-L121 HydrophobicContact CE2-CB 4.35Å; F32-L121 HydrophobicContact CE2-CD1 3.26Å; F32-L121 HydrophobicContact CE2-CG 4.4Å; F32-L121 HydrophobicContact CZ-CD1 3.24Å; F32-H123 HydrophobicContact CB-CB 4.06Å; F32-H123 HydrophobicContact CD2-CB 3.99Å; F32-H125 HydrophobicContact CD2-CB 4.37Å; F32-H125 HydrophobicContact CE2-CB 3.98Å; F32-H125 AromaticContact CE2-CG 3.8Å; F32-H125 AromaticContact CE2-ND1 3.97Å
33	C	86.4	Confident	81.6	Confident	37 Å²	37	78 Å²	78	25%	0.25	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-42.7	172.3	-78.9	0	0	0	0	112	C30 H123	C30-C33 HydrophobicContact CB-CB 4.05Å; C33-H123 PolarHBondContact SG-ND1 3.37Å
34	E	83.2	Confident	83.1	Confident	171 Å²	171	81.1 Å²	81.1	80%	0.799	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	65.4	178.5	-65.7	-173	175.1	0	0	109.5	A36	E34-A36 PolarHBondContact O-N 2.97Å
35	Y	85.6	Confident	84.8	Confident	39 Å²	39	82.7 Å²	82.7	15%	0.153	43%	0.431	C	S	.	.			trans	-62.2	104	-176.2	-165.7	-96.9	0	0	0	111.6	F32 E37 N40 I41 L49 V51 I67	F32-Y35 HydrophobicContact CD1-CD2 4.15Å; F32-Y35 HydrophobicContact CD1-CE2 4.44Å; Y35-E37 HydrophobicContact CE1-CB 4.14Å; Y35-E37 VanDerWaalsContact CE1-O 3.23Å; Y35-E37 WeakPolarHBondContact CE1-O 3.48Å; Y35-N40 WeakPolarHBondContact OH-CB 3.07Å; Y35-I41 HydrophobicContact CD1-CD1 4.33Å; Y35-I41 HydrophobicContact CD1-CG1 4.21Å; Y35-I41 HydrophobicContact CE1-CD1 4.48Å; Y35-I41 HydrophobicContact CE1-CG1 3.89Å; Y35-L49 HydrophobicContact CD1-CD1 4.27Å; Y35-L49 HydrophobicContact CG-CD1 4.24Å; Y35-V51 HydrophobicContact CD1-CG1 4.38Å; Y35-V51 HydrophobicContact CE1-CB 4.26Å; Y35-V51 HydrophobicContact CE1-CG1 3.7Å; Y35-V51 HydrophobicContact CE2-CB 4.49Å; Y35-V51 HydrophobicContact CE2-CG1 4.34Å; Y35-V51 HydrophobicContact CE2-CG2 4.09Å; Y35-V51 WeakPolarHBondContact OH-CB 3.38Å; Y35-I67 HydrophobicContact CD2-CD1 3.58Å; Y35-I67 HydrophobicContact CE2-CD1 4.04Å; Y35-I67 HydrophobicContact CG-CD1 4.05Å
36	A	83.2	Confident	86	Confident	86 Å²	86	84.3 Å²	84.3	71%	0.711	43%	0.43	S	S	*	.			trans	-86.7	-26.2	-170.7	0	0	0	0	0	114.1	E34 K38	E34-A36 PolarHBondContact O-N 2.97Å; A36-K38 PolarHBondContact O-N 2.94Å
37	E	83.7	Confident	87	Confident	45 Å²	45	81.7 Å²	81.7	21%	0.21	42%	0.42	C	S	.	.			trans	-86.3	69	-168.3	-58.6	-175.3	170.6	0	0	112.1	Y35 E39 N40 K54	Y35-E37 HydrophobicContact CE1-CB 4.14Å; Y35-E37 VanDerWaalsContact CE1-O 3.23Å; Y35-E37 WeakPolarHBondContact CE1-O 3.48Å; E37-E39 VanDerWaalsContact C-OE2 3.29Å; E37-E39 PolarHBondContact O-N 3.33Å; E37-E39 VanDerWaalsContact O-N 3.15Å; E37-N40 HydrophobicContact CB-CB 4.34Å; E37-N40 WeakPolarHBondContact O-CB 3.5Å; E37-N40 PolarHBondContact O-N 3.48Å; E37-N40 PolarHBondContact OE2-ND2 3.11Å; E37-K54 WeakPolarHBondContact OE1-CD 3.48Å; E37-K54 WeakPolarHBondContact OE1-CE 3.32Å; E37-K54 IonicContact OE1-NZ 3.66Å; E37-K54 PolarHBondContact OE1-NZ 3.11Å
38	K	88.2	Confident	88.1	Confident	166 Å²	166	77.3 Å²	77.3	72%	0.722	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-58.2	-29.4	-175.2	-67	-177.5	-179.6	177.6	0	113.6	A36 N40 I41	A36-K38 PolarHBondContact O-N 2.94Å; K38-N40 PolarHBondContact O-N 2.99Å; K38-I41 HydrophobicContact CB-CD1 4.36Å; K38-I41 HydrophobicContact CG-CD1 4.37Å; K38-I41 WeakPolarHBondContact O-CB 3.42Å; K38-I41 PolarHBondContact O-N 3.08Å
39	E	88.8	Confident	89.2	Confident	151 Å²	151	72.8 Å²	72.8	71%	0.706	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.1	175.6	65.4	-85.7	-158.5	0	0	113.5	E37	E37-E39 VanDerWaalsContact C-OE2 3.29Å; E37-E39 PolarHBondContact O-N 3.33Å; E37-E39 VanDerWaalsContact O-N 3.15Å
40	N	92.2	Very high	90.2	Very high	28 Å²	28	70.1 Å²	70.1	15%	0.15	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-88.9	-3.3	179.5	-73.2	-26.6	0	0	0	112.7	Y35 E37 K38 L42 V51 L52	Y35-N40 WeakPolarHBondContact OH-CB 3.07Å; E37-N40 HydrophobicContact CB-CB 4.34Å; E37-N40 WeakPolarHBondContact O-CB 3.5Å; E37-N40 PolarHBondContact O-N 3.48Å; E37-N40 PolarHBondContact OE2-ND2 3.11Å; K38-N40 PolarHBondContact O-N 2.99Å; N40-L42 PolarHBondContact O-N 3.17Å; N40-V51 CarbonylContact O-C 3.56Å; N40-V51 WeakPolarHBondContact O-CA 3.36Å; N40-L52 HydrophobicContact CB-CB 4.24Å; N40-L52 PolarHBondContact O-N 2.94Å
41	I	94.6	Very high	90.8	Very high	54 Å²	54	69.8 Å²	69.8	28%	0.277	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.8	-178.6	-58.1	174.1	0	0	0	110.1	Y35 K38 R44 L49 V51	Y35-I41 HydrophobicContact CD1-CD1 4.33Å; Y35-I41 HydrophobicContact CD1-CG1 4.21Å; Y35-I41 HydrophobicContact CE1-CD1 4.48Å; Y35-I41 HydrophobicContact CE1-CG1 3.89Å; K38-I41 HydrophobicContact CB-CD1 4.36Å; K38-I41 HydrophobicContact CG-CD1 4.37Å; K38-I41 WeakPolarHBondContact O-CB 3.42Å; K38-I41 PolarHBondContact O-N 3.08Å; I41-R44 HydrophobicContact CG2-CB 4.35Å; I41-L49 HydrophobicContact CD1-CD2 4.34Å; I41-L49 HydrophobicContact CG2-CD2 4.38Å; I41-V51 HydrophobicContact CG1-CG1 4.12Å
42	L	95.6	Very high	91.2	Very high	70 Å²	70	70.3 Å²	70.3	37%	0.366	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-35.1	177.7	-57	175.8	0	0	0	112.3	N40 W50 F62 T64	N40-L42 PolarHBondContact O-N 3.17Å; L42-W50 WeakPolarHBondContact CA-O 3.45Å; L42-W50 HydrophobicContact CB-CD2 3.9Å; L42-W50 HydrophobicContact CB-CE3 3.58Å; L42-W50 HydrophobicContact CB-CG 4.38Å; L42-W50 HydrophobicContact CB-CZ3 4.07Å; L42-W50 WeakPolarHBondContact CB-O 3.4Å; L42-W50 HydrophobicContact CD1-CD2 3.92Å; L42-W50 HydrophobicContact CD1-CE3 4.2Å; L42-W50 HydrophobicContact CD1-CG 4.46Å; L42-W50 HydrophobicContact CD1-CH2 4.32Å; L42-W50 HydrophobicContact CD1-CZ2 4.02Å; L42-W50 HydrophobicContact CD1-CZ3 4.39Å; L42-W50 PolarHBondContact N-O 3.17Å; L42-F62 HydrophobicContact CD1-CZ 3.81Å; L42-T64 HydrophobicContact CD1-CG2 3.63Å
43	R	96.3	Very high	91.1	Very high	79 Å²	79	70 Å²	70	30%	0.298	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	147.1	175.1	-172.5	-175.6	171	174	-0.1	109.1	E45 W50 F90 D93	R43-E45 IonicContact CZ-OE2 3.56Å; R43-E45 IonicContact NE-OE2 3.37Å; R43-E45 IonicContact NH2-OE2 3.44Å; R43-E45 PolarHBondContact NH2-OE2 3.37Å; R43-W50 HydrophobicContact CB-CB 4.19Å; R43-W50 HydrophobicContact CB-CE3 3.98Å; R43-W50 PolarHBondContact N-O 2.86Å; R43-W50 PolarHBondContact O-N 3.01Å; R43-F90 HydrophobicContact CB-CE2 4.33Å; R43-F90 HydrophobicContact CB-CZ 4.33Å; R43-F90 VanDerWaalsContact CD-CE2 3.48Å; R43-F90 HydrophobicContact CG-CE2 3.75Å; R43-F90 HydrophobicContact CG-CZ 4.25Å; R43-D93 IonicContact CZ-OD2 3.75Å; R43-D93 IonicContact NH1-OD2 3.11Å; R43-D93 PolarHBondContact NH1-OD2 2.93Å; R43-D93 VanDerWaalsContact NH1-OD2 3.11Å; R43-D93 IonicContact NH2-OD2 2.69Å; R43-D93 PolarHBondContact NH2-OD2 3.23Å
44	R	94.7	Very high	91	Very high	169 Å²	169	74 Å²	74	64%	0.638	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.9	170.3	175.4	172.4	-174.2	173.7	2.8	109.5	I41 E46 M48 L49	I41-R44 HydrophobicContact CG2-CB 4.35Å; R44-E46 PolarHBondContact NE-O 3.09Å; R44-M48 WeakPolarHBondContact CA-O 3.23Å; R44-L49 HydrophobicContact CB-CD2 3.79Å; R44-L49 HydrophobicContact CG-CD2 3.6Å
45	E	94.1	Very high	90.7	Very high	69 Å²	69	68.5 Å²	68.5	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	113.7	173.1	-169.8	165.2	156.7	0	0	109	R43 D47 M48 F90	R43-E45 IonicContact CZ-OE2 3.56Å; R43-E45 IonicContact NE-OE2 3.37Å; R43-E45 IonicContact NH2-OE2 3.44Å; R43-E45 PolarHBondContact NH2-OE2 3.37Å; E45-D47 PolarHBondContact O-N 3.45Å; E45-D47 VanDerWaalsContact O-N 3.12Å; E45-M48 HydrophobicContact CB-CE 4.34Å; E45-M48 HydrophobicContact CG-CE 4.38Å; E45-M48 PolarHBondContact N-O 2.92Å; E45-M48 WeakPolarHBondContact O-CB 3Å; E45-M48 PolarHBondContact O-N 3.28Å; E45-F90 HydrophobicContact CB-CD2 3.67Å; E45-F90 HydrophobicContact CB-CE2 3.65Å; E45-F90 HydrophobicContact CG-CD2 4.48Å
46	E	90.6	Very high	90.4	Very high	117 Å²	117	69 Å²	69	55%	0.547	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-116.8	-171.1	-58.9	177.7	178.7	0	0	110.9	R44 K86	R44-E46 PolarHBondContact NE-O 3.09Å; E46-K86 VanDerWaalsContact CD-NZ 3.28Å; E46-K86 IonicContact OE1-NZ 3.89Å; E46-K86 PolarHBondContact OE1-NZ 2.97Å; E46-K86 IonicContact OE2-NZ 2.79Å; E46-K86 PolarHBondContact OE2-NZ 3.47Å
47	D	89.4	Confident	89.9	Confident	84 Å²	84	65.2 Å²	65.2	45%	0.449	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.5	178.3	-70	-22.9	0	0	0	113.6	E45 A70	E45-D47 PolarHBondContact O-N 3.45Å; E45-D47 VanDerWaalsContact O-N 3.12Å; D47-A70 HydrophobicContact CB-CB 3.98Å
48	M	95.5	Very high	89.5	Confident	10 Å²	10	65 Å²	65	5%	0.049	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.9	-179.9	-63.7	174.4	-74.7	0	0	111.3	R44 E45 I67 E68 K86 L87 F90	R44-M48 WeakPolarHBondContact CA-O 3.23Å; E45-M48 HydrophobicContact CB-CE 4.34Å; E45-M48 HydrophobicContact CG-CE 4.38Å; E45-M48 PolarHBondContact N-O 2.92Å; E45-M48 WeakPolarHBondContact O-CB 3Å; E45-M48 PolarHBondContact O-N 3.28Å; M48-I67 WeakPolarHBondContact CA-O 3.46Å; M48-E68 VanDerWaalsContact CG-O 3.28Å; M48-E68 WeakPolarHBondContact CG-O 3.33Å; M48-K86 HydrophobicContact CE-CB 4.25Å; M48-L87 HydrophobicContact CG-CD1 4.49Å; M48-L87 VanDerWaalsContact SD-CA 3.53Å; M48-L87 HydrophobicContact SD-CB 4.15Å; M48-L87 HydrophobicContact SD-CD1 3.95Å; M48-F90 HydrophobicContact CB-CD1 3.95Å; M48-F90 HydrophobicContact CB-CE1 3.9Å; M48-F90 HydrophobicContact CB-CE2 4.46Å; M48-F90 HydrophobicContact CB-CG 4.27Å; M48-F90 HydrophobicContact CB-CZ 4.17Å; M48-F90 HydrophobicContact CE-CB 3.87Å; M48-F90 HydrophobicContact CE-CD2 4.42Å; M48-F90 HydrophobicContact CE-CG 4.14Å; M48-F90 HydrophobicContact SD-CB 3.67Å; M48-F90 HydrophobicContact SD-CD1 3.98Å; M48-F90 HydrophobicContact SD-CG 3.87Å
49	L	96.4	Very high	88.9	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.6	176.2	-60	171.8	0	0	0	109.8	Y35 I41 R44 V51 I66 I67	Y35-L49 HydrophobicContact CD1-CD1 4.27Å; Y35-L49 HydrophobicContact CG-CD1 4.24Å; I41-L49 HydrophobicContact CD1-CD2 4.34Å; I41-L49 HydrophobicContact CG2-CD2 4.38Å; R44-L49 HydrophobicContact CB-CD2 3.79Å; R44-L49 HydrophobicContact CG-CD2 3.6Å; L49-V51 HydrophobicContact CB-CG1 3.89Å; L49-I66 CarbonylContact O-C 3.48Å; L49-I66 VanDerWaalsContact O-CA 3.29Å; L49-I66 WeakPolarHBondContact O-CA 3.49Å; L49-I67 HydrophobicContact CB-CB 4.2Å; L49-I67 HydrophobicContact CB-CD1 4.32Å; L49-I67 HydrophobicContact CD1-CD1 4.14Å; L49-I67 PolarHBondContact N-O 3.26Å; L49-I67 VanDerWaalsContact N-O 3.1Å; L49-I67 PolarHBondContact O-N 2.94Å
50	W	97.3	Very high	88.8	Confident	8 Å²	8	57.4 Å²	57.4	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.7	165.1	-178.4	40.9	0	0	0	108.6	L42 R43 F62 T64 I65 I66 F90 C94 K97 T98	L42-W50 WeakPolarHBondContact CA-O 3.45Å; L42-W50 HydrophobicContact CB-CD2 3.9Å; L42-W50 HydrophobicContact CB-CE3 3.58Å; L42-W50 HydrophobicContact CB-CG 4.38Å; L42-W50 HydrophobicContact CB-CZ3 4.07Å; L42-W50 WeakPolarHBondContact CB-O 3.4Å; L42-W50 HydrophobicContact CD1-CD2 3.92Å; L42-W50 HydrophobicContact CD1-CE3 4.2Å; L42-W50 HydrophobicContact CD1-CG 4.46Å; L42-W50 HydrophobicContact CD1-CH2 4.32Å; L42-W50 HydrophobicContact CD1-CZ2 4.02Å; L42-W50 HydrophobicContact CD1-CZ3 4.39Å; L42-W50 PolarHBondContact N-O 3.17Å; R43-W50 HydrophobicContact CB-CB 4.19Å; R43-W50 HydrophobicContact CB-CE3 3.98Å; R43-W50 PolarHBondContact N-O 2.86Å; R43-W50 PolarHBondContact O-N 3.01Å; W50-F62 HydrophobicContact CZ2-CE1 4.41Å; W50-T64 HydrophobicContact CZ2-CG2 4.35Å; W50-T64 PolarHBondContact NE1-OG1 3.21Å; W50-I65 WeakPolarHBondContact CA-O 3.47Å; W50-I66 HydrophobicContact CB-CG1 4.4Å; W50-I66 HydrophobicContact CG-CG1 4.27Å; W50-F90 HydrophobicContact CB-CE1 3.97Å; W50-F90 HydrophobicContact CB-CZ 3.79Å; W50-C94 HydrophobicContact CD2-CB 3.85Å; W50-C94 HydrophobicContact CE3-CB 4.12Å; W50-C94 HydrophobicContact CG-CB 4.21Å; W50-C94 HydrophobicContact CH2-CB 4.48Å; W50-C94 HydrophobicContact CZ2-CB 4.25Å; W50-C94 HydrophobicContact CZ3-CB 4.43Å; W50-K97 HydrophobicContact CH2-CD 4.22Å; W50-K97 HydrophobicContact CZ3-CD 3.96Å; W50-T98 WeakPolarHBondContact CZ2-OG1 3.35Å
51	V	96.1	Very high	88.6	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.1	-169.4	-52.8	0	0	0	0	112	Y35 N40 I41 L49 T64 I65	Y35-V51 HydrophobicContact CD1-CG1 4.38Å; Y35-V51 HydrophobicContact CE1-CB 4.26Å; Y35-V51 HydrophobicContact CE1-CG1 3.7Å; Y35-V51 HydrophobicContact CE2-CB 4.49Å; Y35-V51 HydrophobicContact CE2-CG1 4.34Å; Y35-V51 HydrophobicContact CE2-CG2 4.09Å; Y35-V51 WeakPolarHBondContact OH-CB 3.38Å; N40-V51 CarbonylContact O-C 3.56Å; N40-V51 WeakPolarHBondContact O-CA 3.36Å; I41-V51 HydrophobicContact CG1-CG1 4.12Å; L49-V51 HydrophobicContact CB-CG1 3.89Å; V51-T64 CarbonylContact O-C 3.6Å; V51-T64 WeakPolarHBondContact O-CA 3.29Å; V51-T64 VanDerWaalsContact O-CB 3.24Å; V51-T64 WeakPolarHBondContact O-CB 3.36Å; V51-I65 HydrophobicContact CG2-CB 3.94Å; V51-I65 PolarHBondContact N-O 3.19Å; V51-I65 PolarHBondContact O-N 2.86Å
52	L	94.1	Very high	88.5	Confident	53 Å²	53	56.7 Å²	56.7	28%	0.277	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.2	168.6	-174.5	66.6	0	0	0	109.3	N40 K54 F62 T64	N40-L52 HydrophobicContact CB-CB 4.24Å; N40-L52 PolarHBondContact O-N 2.94Å; L52-K54 PolarHBondContact O-N 3.11Å; L52-F62 HydrophobicContact CD1-CD2 3.91Å; L52-F62 HydrophobicContact CD1-CE2 3.51Å; L52-F62 HydrophobicContact CD1-CZ 4.29Å; L52-T64 HydrophobicContact CD1-CG2 4.48Å
53	N	87.6	Confident	88.3	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.07	25%	0.245	C	C	.	.			trans	-71.3	113.7	174	-175	-0.9	0	0	0	109.1	Y55 Q56 Q63 I65	N53-Y55 PolarHBondContact ND2-O 3.24Å; N53-Y55 PolarHBondContact O-N 2.95Å; N53-Y55 PolarHBondContact OD1-N 3.38Å; N53-Q56 WeakPolarHBondContact O-CG 3.43Å; N53-Q56 PolarHBondContact O-NE2 3.14Å; N53-Q63 HydrophobicContact CB-CB 3.89Å; N53-Q63 VanDerWaalsContact CB-O 3.25Å; N53-Q63 WeakPolarHBondContact CB-O 3.34Å; N53-Q63 PolarHBondContact N-O 2.88Å; N53-I65 HydrophobicContact CB-CD1 3.99Å; N53-I65 HydrophobicContact CB-CG1 4.12Å
54	K	83.5	Confident	88.2	Confident	119 Å²	119	49.8 Å²	49.8	52%	0.517	23%	0.231	S	C	.	.	S	Bend	trans	-55.9	-33.2	175.9	-179.7	176.4	-173.3	173.6	0	112.9	E37 L52 Q56	E37-K54 WeakPolarHBondContact OE1-CD 3.48Å; E37-K54 WeakPolarHBondContact OE1-CE 3.32Å; E37-K54 IonicContact OE1-NZ 3.66Å; E37-K54 PolarHBondContact OE1-NZ 3.11Å; L52-K54 PolarHBondContact O-N 3.11Å; K54-Q56 PolarHBondContact O-N 2.94Å
55	Y	78.2	Confident	88.2	Confident	57 Å²	57	42.4 Å²	42.4	22%	0.224	20%	0.204	C	C	.	.			trans	-102.1	74.5	-174.4	-56	-85.9	0	0	0	110.9	G18 K19 N53 T57	G18-Y55 WeakPolarHBondContact O-CE1 3.3Å; G18-Y55 VanDerWaalsContact O-CZ 3.28Å; G18-Y55 PolarHBondContact O-OH 2.99Å; K19-Y55 HydrophobicContact CB-CD1 4.48Å; K19-Y55 HydrophobicContact CD-CG 4.38Å; K19-Y55 WeakPolarHBondContact CE-O 3.27Å; K19-Y55 HydrophobicContact CG-CD1 3.62Å; K19-Y55 HydrophobicContact CG-CD2 3.86Å; K19-Y55 HydrophobicContact CG-CE1 4.22Å; K19-Y55 HydrophobicContact CG-CE2 4.45Å; K19-Y55 HydrophobicContact CG-CG 3.41Å; K19-Y55 VanDerWaalsContact CG-CG 3.41Å; N53-Y55 PolarHBondContact ND2-O 3.24Å; N53-Y55 PolarHBondContact O-N 2.95Å; N53-Y55 PolarHBondContact OD1-N 3.38Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.4Å
56	Q	77.6	Confident	88.3	Confident	48 Å²	48	39.1 Å²	39.1	22%	0.224	19%	0.189	C	C	.	.			trans	-69.2	84.3	177.4	-61.4	-71.6	-33.4	0	0	110.7	A15 N53 K54 L58 Q63	A15-Q56 VanDerWaalsContact CB-O 3.3Å; A15-Q56 WeakPolarHBondContact CB-O 3.35Å; N53-Q56 WeakPolarHBondContact O-CG 3.43Å; N53-Q56 PolarHBondContact O-NE2 3.14Å; K54-Q56 PolarHBondContact O-N 2.94Å; Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 3.27Å; Q56-Q63 PolarHBondContact NE2-O 3Å; Q56-Q63 VanDerWaalsContact OE1-CB 3.27Å
57	T	73.7	Confident	88.5	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.049	16%	0.163	C	C	.	.			trans	-85.3	5	-175.3	43.7	0	0	0	0	115.3	F11 L12 A15 A16 K19 Y55 Q63	F11-T57 CarbonylContact C-O 3.54Å; F11-T57 WeakPolarHBondContact CA-O 3.32Å; F11-T57 VanDerWaalsContact CD2-O 3.22Å; F11-T57 WeakPolarHBondContact CD2-O 3.41Å; F11-T57 HydrophobicContact CE2-CG2 4.19Å; F11-T57 HydrophobicContact CZ-CG2 4.33Å; L12-T57 PolarHBondContact N-O 3.24Å; A15-T57 HydrophobicContact CB-CG2 4.11Å; A16-T57 HydrophobicContact CB-CG2 3.66Å; K19-T57 HydrophobicContact CD-CG2 4.3Å; K19-T57 PolarHBondContact NZ-OG1 3.44Å; Y55-T57 VanDerWaalsContact C-N 3.34Å; Y55-T57 PolarHBondContact O-N 3.4Å; T57-Q63 VanDerWaalsContact N-NE2 3.15Å
58	L	75	Confident	88.8	Confident	41 Å²	41	30 Å²	30	22%	0.215	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-127.4	125.7	-178.6	-64.5	171.3	0	0	0	107.1	I10 F11 Q56 T61	I10-L58 WeakPolarHBondContact O-CA 3.27Å; F11-L58 HydrophobicContact CD2-CD2 4.18Å; Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 3.27Å; L58-T61 HydrophobicContact CB-CG2 3.6Å; L58-T61 WeakPolarHBondContact CB-OG1 3.4Å; L58-T61 HydrophobicContact CD1-CG2 4.47Å; L58-T61 PolarHBondContact O-OG1 3.29Å
59	Q	75.6	Confident	88.7	Confident	78 Å²	78	30.6 Å²	30.6	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	147.7	177.3	-160.5	-172.1	-48.1	0	0	110.4	I10 L12 T61	I10-Q59 HydrophobicContact CB-CB 3.99Å; I10-Q59 HydrophobicContact CG2-CB 4.45Å; I10-Q59 PolarHBondContact O-N 3.47Å; L12-Q59 HydrophobicContact CD1-CB 4.13Å; L12-Q59 HydrophobicContact CD1-CG 4.46Å; L12-Q59 HydrophobicContact CD2-CB 4.26Å; L12-Q59 HydrophobicContact CG-CB 4.18Å; Q59-T61 WeakPolarHBondContact O-CG2 3.17Å; Q59-T61 PolarHBondContact O-N 2.9Å
60	D	86.6	Confident	88.5	Confident	78 Å²	78	32.1 Å²	32.1	42%	0.417	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	34.8	174.6	-56.4	-46.4	0	0	0	113.7	K132	D60-K132 HydrophobicContact CB-CB 4.39Å; D60-K132 WeakPolarHBondContact O-CB 3.42Å; D60-K132 VanDerWaalsContact O-CG 3.32Å; D60-K132 WeakPolarHBondContact O-CG 3.34Å; D60-K132 PolarHBondContact O-N 3.22Å
61	T	88.3	Confident	88.2	Confident	15 Å²	15	34.1 Å²	34.1	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158	176.5	67.5	0	0	0	0	112.4	L9 L58 Q59 Q63 V129 G130 L131	L9-T61 HydrophobicContact CD2-CG2 4.35Å; L58-T61 HydrophobicContact CB-CG2 3.6Å; L58-T61 WeakPolarHBondContact CB-OG1 3.4Å; L58-T61 HydrophobicContact CD1-CG2 4.47Å; L58-T61 PolarHBondContact O-OG1 3.29Å; Q59-T61 WeakPolarHBondContact O-CG2 3.17Å; Q59-T61 PolarHBondContact O-N 2.9Å; T61-Q63 WeakPolarHBondContact OG1-CG 3.41Å; T61-Q63 PolarHBondContact OG1-NE2 3.45Å; T61-V129 HydrophobicContact CG2-CG1 4.22Å; T61-G130 CarbonylContact C-O 3.58Å; T61-G130 WeakPolarHBondContact CA-O 3.42Å; T61-L131 HydrophobicContact CG2-CD2 3.49Å; T61-L131 VanDerWaalsContact CG2-CD2 3.49Å
62	F	93.2	Very high	87.9	Confident	52 Å²	52	34.1 Å²	34.1	23%	0.228	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	97.3	165	173.4	-108.5	0	0	0	108	L42 W50 L52 T64 T98 F104 V129 G130	L42-F62 HydrophobicContact CD1-CZ 3.81Å; W50-F62 HydrophobicContact CZ2-CE1 4.41Å; L52-F62 HydrophobicContact CD1-CD2 3.91Å; L52-F62 HydrophobicContact CD1-CE2 3.51Å; L52-F62 HydrophobicContact CD1-CZ 4.29Å; F62-T64 HydrophobicContact CD1-CG2 3.83Å; F62-T64 HydrophobicContact CE1-CG2 3.21Å; F62-T64 HydrophobicContact CE2-CG2 4.08Å; F62-T64 HydrophobicContact CG-CG2 4.48Å; F62-T64 HydrophobicContact CZ-CG2 3.36Å; F62-T98 HydrophobicContact CD1-CG2 4.24Å; F62-F104 HydrophobicContact CB-CD1 4.49Å; F62-F104 HydrophobicContact CB-CE1 3.33Å; F62-F104 HydrophobicContact CB-CE2 4.44Å; F62-F104 HydrophobicContact CB-CZ 3.3Å; F62-F104 HydrophobicContact CD1-CE2 4.17Å; F62-F104 AromaticContact CD1-CZ 3.69Å; F62-F104 HydrophobicContact CD1-CZ 3.69Å; F62-F104 HydrophobicContact CG-CE1 4.18Å; F62-F104 AromaticContact CG-CZ 3.62Å; F62-F104 HydrophobicContact CG-CZ 3.62Å; F62-V129 CarbonylContact O-C 3.58Å; F62-V129 WeakPolarHBondContact O-CA 3.46Å; F62-G130 PolarHBondContact N-O 3.29Å; F62-G130 PolarHBondContact O-N 2.93Å
63	Q	90.8	Very high	87.5	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129	-178.7	-62.9	165.3	69.7	0	0	110.6	N53 Q56 T57 T61 V129	N53-Q63 HydrophobicContact CB-CB 3.89Å; N53-Q63 VanDerWaalsContact CB-O 3.25Å; N53-Q63 WeakPolarHBondContact CB-O 3.34Å; N53-Q63 PolarHBondContact N-O 2.88Å; Q56-Q63 PolarHBondContact NE2-O 3Å; Q56-Q63 VanDerWaalsContact OE1-CB 3.27Å; T57-Q63 VanDerWaalsContact N-NE2 3.15Å; T61-Q63 WeakPolarHBondContact OG1-CG 3.41Å; T61-Q63 PolarHBondContact OG1-NE2 3.45Å; Q63-V129 HydrophobicContact CB-CG2 4.49Å; Q63-V129 HydrophobicContact CG-CG1 3.83Å; Q63-V129 HydrophobicContact CG-CG2 4.09Å
64	T	95	Very high	87.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.9	176.4	63.9	0	0	0	0	110.6	L42 W50 V51 L52 F62 Q127 I128	L42-T64 HydrophobicContact CD1-CG2 3.63Å; W50-T64 HydrophobicContact CZ2-CG2 4.35Å; W50-T64 PolarHBondContact NE1-OG1 3.21Å; V51-T64 CarbonylContact O-C 3.6Å; V51-T64 WeakPolarHBondContact O-CA 3.29Å; V51-T64 VanDerWaalsContact O-CB 3.24Å; V51-T64 WeakPolarHBondContact O-CB 3.36Å; L52-T64 HydrophobicContact CD1-CG2 4.48Å; F62-T64 HydrophobicContact CD1-CG2 3.83Å; F62-T64 HydrophobicContact CE1-CG2 3.21Å; F62-T64 HydrophobicContact CE2-CG2 4.08Å; F62-T64 HydrophobicContact CG-CG2 4.48Å; F62-T64 HydrophobicContact CZ-CG2 3.36Å; T64-Q127 WeakPolarHBondContact O-CA 3.46Å; T64-I128 PolarHBondContact N-O 3.34Å; T64-I128 PolarHBondContact O-N 2.98Å; T64-I128 VanDerWaalsContact O-N 3.16Å; T64-I128 WeakPolarHBondContact OG1-CB 3.49Å; T64-I128 PolarHBondContact OG1-O 3.35Å
65	I	94.1	Very high	87.9	Confident	14 Å²	14	31.8 Å²	31.8	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.3	-179.3	-62.1	168.3	0	0	0	107.6	F32 W50 V51 N53 I67 H125 M126	F32-I65 HydrophobicContact CE2-CG2 4.26Å; F32-I65 HydrophobicContact CZ-CD1 4.04Å; F32-I65 HydrophobicContact CZ-CG2 4Å; W50-I65 WeakPolarHBondContact CA-O 3.47Å; V51-I65 HydrophobicContact CG2-CB 3.94Å; V51-I65 PolarHBondContact N-O 3.19Å; V51-I65 PolarHBondContact O-N 2.86Å; N53-I65 HydrophobicContact CB-CD1 3.99Å; N53-I65 HydrophobicContact CB-CG1 4.12Å; I65-I67 HydrophobicContact CG2-CG1 4.32Å; I65-H125 HydrophobicContact CG2-CB 3.89Å; I65-M126 CarbonylContact C-O 3.48Å; I65-M126 WeakPolarHBondContact CA-O 3.42Å
66	I	95.5	Very high	88.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	112.3	166.5	-64.6	165.2	0	0	0	107	L49 W50 L87 F90 A91 C94 F109 H125 M126 I128	L49-I66 CarbonylContact O-C 3.48Å; L49-I66 VanDerWaalsContact O-CA 3.29Å; L49-I66 WeakPolarHBondContact O-CA 3.49Å; W50-I66 HydrophobicContact CB-CG1 4.4Å; W50-I66 HydrophobicContact CG-CG1 4.27Å; I66-L87 HydrophobicContact CG2-CD1 4.36Å; I66-F90 HydrophobicContact CG1-CE1 4.47Å; I66-F90 HydrophobicContact CG2-CD1 4.02Å; I66-F90 HydrophobicContact CG2-CE1 3.87Å; I66-A91 HydrophobicContact CD1-CB 3.67Å; I66-C94 HydrophobicContact CD1-CB 4.3Å; I66-F109 HydrophobicContact CD1-CE2 4.47Å; I66-H125 CarbonylContact O-C 3.57Å; I66-H125 WeakPolarHBondContact O-CA 3.27Å; I66-H125 WeakPolarHBondContact O-CB 3.22Å; I66-M126 HydrophobicContact CB-CB 4.25Å; I66-M126 PolarHBondContact N-O 3.24Å; I66-M126 PolarHBondContact O-N 2.92Å; I66-I128 HydrophobicContact CD1-CD1 3.55Å; I66-I128 HydrophobicContact CD1-CG1 4.23Å; I66-I128 HydrophobicContact CG1-CD1 4.34Å
67	I	95.2	Very high	88.9	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118	169.5	-56.9	171.3	0	0	0	106.4	F32 Y35 M48 L49 I65	F32-I67 HydrophobicContact CB-CD1 3.97Å; F32-I67 HydrophobicContact CB-CG1 4.28Å; F32-I67 HydrophobicContact CB-CG2 4.11Å; F32-I67 HydrophobicContact CD1-CD1 3.66Å; F32-I67 HydrophobicContact CD1-CG1 4.1Å; F32-I67 HydrophobicContact CD2-CG1 4.22Å; F32-I67 HydrophobicContact CE1-CD1 4.32Å; F32-I67 HydrophobicContact CG-CD1 3.83Å; F32-I67 HydrophobicContact CG-CG1 3.95Å; Y35-I67 HydrophobicContact CD2-CD1 3.58Å; Y35-I67 HydrophobicContact CE2-CD1 4.04Å; Y35-I67 HydrophobicContact CG-CD1 4.05Å; M48-I67 WeakPolarHBondContact CA-O 3.46Å; L49-I67 HydrophobicContact CB-CB 4.2Å; L49-I67 HydrophobicContact CB-CD1 4.32Å; L49-I67 HydrophobicContact CD1-CD1 4.14Å; L49-I67 PolarHBondContact N-O 3.26Å; L49-I67 VanDerWaalsContact N-O 3.1Å; L49-I67 PolarHBondContact O-N 2.94Å; I65-I67 HydrophobicContact CG2-CG1 4.32Å
68	E	95.3	Very high	89.7	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.028	16%	0.158	C	C	.	.			trans	-81.1	-34.3	-163.5	-62.4	173.3	-150.4	0	0	113.2	M48 Y79 L87 K111 P124 H125 M126	M48-E68 VanDerWaalsContact CG-O 3.28Å; M48-E68 WeakPolarHBondContact CG-O 3.33Å; E68-Y79 WeakPolarHBondContact CB-OH 3.38Å; E68-Y79 PolarHBondContact OE2-OH 2.96Å; E68-L87 HydrophobicContact CB-CD1 3.89Å; E68-L87 HydrophobicContact CB-CD2 3.99Å; E68-L87 HydrophobicContact CG-CD1 3.85Å; E68-L87 HydrophobicContact CG-CD2 3.98Å; E68-K111 WeakPolarHBondContact OE1-CD 3.25Å; E68-K111 WeakPolarHBondContact OE1-CE 3.25Å; E68-K111 IonicContact OE1-NZ 3.19Å; E68-K111 PolarHBondContact OE1-NZ 2.91Å; E68-K111 IonicContact OE2-NZ 2.66Å; E68-K111 PolarHBondContact OE2-NZ 3.42Å; E68-P124 HydrophobicContact CB-CB 4.03Å; E68-P124 HydrophobicContact CB-CG 4.34Å; E68-P124 HydrophobicContact CG-CB 4.32Å; E68-P124 PolarHBondContact N-O 2.85Å; E68-P124 VanDerWaalsContact N-O 3.08Å; E68-H125 VanDerWaalsContact OE1-CA 3.26Å; E68-H125 WeakPolarHBondContact OE1-CA 3.37Å; E68-H125 PolarHBondContact OE1-N 3.14Å; E68-M126 HydrophobicContact CG-CG 4.18Å; E68-M126 WeakPolarHBondContact OE1-CG 3.42Å
69	H	93.5	Very high	90.5	Very high	23 Å²	23	28 Å²	28	11%	0.106	15%	0.15	C	C	.	.			trans	-155.8	152.6	-171.5	-166.2	-89.8	0	0	0	110.4	D71 K74 Y79 E83 H123 P124	H69-D71 VanDerWaalsContact C-N 3.31Å; H69-D71 WeakPolarHBondContact ND1-CB 3.33Å; H69-D71 PolarHBondContact ND1-N 3.16Å; H69-K74 PolarHBondContact NE2-NZ 3.21Å; H69-K74 VanDerWaalsContact NE2-NZ 3.19Å; H69-Y79 HydrophobicContact CB-CE1 3.76Å; H69-Y79 AromaticContact CD2-CE1 3.97Å; H69-Y79 AromaticContact CG-CE1 3.88Å; H69-E83 IonicContact NE2-OE1 2.78Å; H69-H123 PolarHBondContact O-CE1 3.39Å; H69-H123 PolarHBondContact O-NE2 3.17Å; H69-P124 HydrophobicContact CB-CG 4.34Å
70	A	91.9	Very high	91.4	Very high	54 Å²	54	27.9 Å²	27.9	45%	0.446	16%	0.155	S	C	.	.	S	Bend	trans	-71.5	-27.4	178.1	0	0	0	0	0	112.8	D47	D47-A70 HydrophobicContact CB-CB 3.98Å
71	D	91.3	Very high	91.7	Very high	50 Å²	50	28.6 Å²	28.6	27%	0.267	16%	0.158	S	C	.	.			trans	-82.2	116.9	176.6	-162.6	6	0	0	0	113.1	K27 H69 N73 K74	K27-D71 WeakPolarHBondContact CE-OD1 3.27Å; K27-D71 IonicContact NZ-OD1 3.32Å; K27-D71 PolarHBondContact NZ-OD1 3.09Å; H69-D71 VanDerWaalsContact C-N 3.31Å; H69-D71 WeakPolarHBondContact ND1-CB 3.33Å; H69-D71 PolarHBondContact ND1-N 3.16Å; D71-N73 PolarHBondContact O-N 2.98Å; D71-K74 HydrophobicContact CB-CB 4.48Å; D71-K74 HydrophobicContact CB-CG 4.05Å; D71-K74 PolarHBondContact O-N 2.97Å
72	H	88.9	Confident	92	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.6	180	-171.6	84.1	0	0	0	114.8	H22 G24 K27 C30 H123	H22-H72 AromaticContact CE1-CE1 3.77Å; H22-H72 AromaticContact CE1-NE2 3.93Å; H22-H72 AromaticContact ND1-CE1 3.78Å; G24-H72 PolarHBondContact O-NE2 3.21Å; K27-H72 HydrophobicContact CD-CB 4.36Å; K27-H72 HydrophobicContact CG-CB 3.87Å; C30-H72 PolarHBondContact SG-ND1 2.91Å; C30-H72 VanDerWaalsContact SG-ND1 3.36Å; H72-H123 AromaticContact ND1-ND1 3.5Å
73	N	86.7	Confident	92.2	Very high	80 Å²	80	35.1 Å²	35.1	43%	0.428	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-4.5	-170.5	-67.4	-44	0	0	0	113.7	S25 D71	S25-N73 PolarHBondContact O-OD1 3.48Å; D71-N73 PolarHBondContact O-N 2.98Å
74	K	90.5	Very high	92.4	Very high	48 Å²	48	35 Å²	35	21%	0.209	19%	0.188	C	C	.	.			trans	-82.3	159.4	171.6	-70.5	-160.7	-172.5	176.2	0	110.8	H69 D71 T78 Y79 E83 P124	H69-K74 PolarHBondContact NE2-NZ 3.21Å; H69-K74 VanDerWaalsContact NE2-NZ 3.19Å; D71-K74 HydrophobicContact CB-CB 4.48Å; D71-K74 HydrophobicContact CB-CG 4.05Å; D71-K74 PolarHBondContact O-N 2.97Å; K74-T78 WeakPolarHBondContact CA-OG1 3.48Å; K74-Y79 HydrophobicContact CB-CD1 4.03Å; K74-Y79 HydrophobicContact CB-CE1 3.51Å; K74-Y79 HydrophobicContact CD-CD1 3.89Å; K74-Y79 HydrophobicContact CD-CE1 4.02Å; K74-Y79 HydrophobicContact CG-CE1 4.47Å; K74-E83 IonicContact NZ-OE1 3.93Å; K74-E83 PolarHBondContact NZ-OE1 2.74Å; K74-E83 IonicContact NZ-OE2 2.84Å; K74-E83 PolarHBondContact NZ-OE2 2.68Å; K74-P124 WeakPolarHBondContact O-CB 3.47Å; K74-P124 WeakPolarHBondContact O-CD 3.45Å; K74-P124 WeakPolarHBondContact O-CG 3.13Å
75	D	89.3	Confident	92.5	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	20%	0.202	C	C	.	.			trans	-156.3	-168.7	165.4	64.5	58.4	0	0	0	109.9	S77 T78 Y79 H113 P124 Y194	D75-S77 PolarHBondContact O-N 3.21Å; D75-S77 PolarHBondContact OD1-N 3.44Å; D75-S77 PolarHBondContact OD1-OG 3.12Å; D75-T78 PolarHBondContact N-OG1 3.46Å; D75-T78 PolarHBondContact O-N 3.13Å; D75-T78 PolarHBondContact O-OG1 3.49Å; D75-T78 VanDerWaalsContact O-OG1 3.13Å; D75-Y79 VanDerWaalsContact C-CE2 3.42Å; D75-Y79 VanDerWaalsContact C-CZ 3.49Å; D75-Y79 VanDerWaalsContact O-CD1 3.28Å; D75-Y79 WeakPolarHBondContact O-CD1 3.29Å; D75-Y79 WeakPolarHBondContact O-CD2 3.38Å; D75-Y79 WeakPolarHBondContact O-CE1 3.27Å; D75-Y79 PolarHBondContact O-N 3Å; D75-H113 IonicContact OD2-CE1 2.67Å; D75-H113 PolarHBondContact OD2-CE1 3.4Å; D75-H113 VanDerWaalsContact OD2-CE1 3.23Å; D75-H113 IonicContact OD2-NE2 3.67Å; D75-P124 HydrophobicContact CB-CB 4.43Å; D75-Y194 VanDerWaalsContact OD1-CE1 3.3Å; D75-Y194 WeakPolarHBondContact OD1-CE1 3.43Å
76	I	91	Very high	92.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.8	-174.3	-71.7	169.9	0	0	0	112.6	T78 Y79 L87 F88 K111 M126 Q191 Y194	I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.33Å; I76-Y79 HydrophobicContact CB-CD2 4.48Å; I76-Y79 HydrophobicContact CG1-CD2 4.21Å; I76-Y79 HydrophobicContact CG1-CE2 4.02Å; I76-L87 HydrophobicContact CG1-CD2 4.48Å; I76-F88 HydrophobicContact CD1-CE2 4.46Å; I76-K111 HydrophobicContact CD1-CD 3.75Å; I76-M126 HydrophobicContact CD1-CE 3.9Å; I76-Q191 HydrophobicContact CG2-CB 3.87Å; I76-Q191 HydrophobicContact CG2-CG 4.37Å; I76-Q191 WeakPolarHBondContact O-CG 3.32Å; I76-Q191 PolarHBondContact O-NE2 3.14Å; I76-Y194 HydrophobicContact CB-CD1 3.96Å; I76-Y194 HydrophobicContact CB-CD2 4.44Å; I76-Y194 HydrophobicContact CB-CE1 4.05Å; I76-Y194 HydrophobicContact CB-CG 4.14Å; I76-Y194 HydrophobicContact CG2-CD1 4.05Å; I76-Y194 HydrophobicContact CG2-CD2 4.48Å; I76-Y194 HydrophobicContact CG2-CG 3.95Å
77	S	85.6	Confident	92.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.2	178.1	63.1	0	0	0	0	113	D75 E200 V204	D75-S77 PolarHBondContact O-N 3.21Å; D75-S77 PolarHBondContact OD1-N 3.44Å; D75-S77 PolarHBondContact OD1-OG 3.12Å; S77-E200 WeakPolarHBondContact CB-OE2 3.38Å; S77-E200 PolarHBondContact OG-OE2 3.24Å; S77-V204 WeakPolarHBondContact O-CG2 3.23Å
78	T	89.5	Confident	92.7	Very high	55 Å²	55	42.8 Å²	42.8	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-4.3	-172	49.2	0	0	0	0	113.6	K74 D75 I76	K74-T78 WeakPolarHBondContact CA-OG1 3.48Å; D75-T78 PolarHBondContact N-OG1 3.46Å; D75-T78 PolarHBondContact O-N 3.13Å; D75-T78 PolarHBondContact O-OG1 3.49Å; D75-T78 VanDerWaalsContact O-OG1 3.13Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.33Å
79	Y	93	Very high	92.7	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.047	23%	0.23	C	C	.	.	S	Bend	trans	-67.8	143.1	170.4	-63.2	-29.1	0	0	0	111.2	E68 H69 K74 D75 I76 E83 L87 P124 Q191	E68-Y79 WeakPolarHBondContact CB-OH 3.38Å; E68-Y79 PolarHBondContact OE2-OH 2.96Å; H69-Y79 HydrophobicContact CB-CE1 3.76Å; H69-Y79 AromaticContact CD2-CE1 3.97Å; H69-Y79 AromaticContact CG-CE1 3.88Å; K74-Y79 HydrophobicContact CB-CD1 4.03Å; K74-Y79 HydrophobicContact CB-CE1 3.51Å; K74-Y79 HydrophobicContact CD-CD1 3.89Å; K74-Y79 HydrophobicContact CD-CE1 4.02Å; K74-Y79 HydrophobicContact CG-CE1 4.47Å; D75-Y79 VanDerWaalsContact C-CE2 3.42Å; D75-Y79 VanDerWaalsContact C-CZ 3.49Å; D75-Y79 VanDerWaalsContact O-CD1 3.28Å; D75-Y79 WeakPolarHBondContact O-CD1 3.29Å; D75-Y79 WeakPolarHBondContact O-CD2 3.38Å; D75-Y79 WeakPolarHBondContact O-CE1 3.27Å; D75-Y79 PolarHBondContact O-N 3Å; I76-Y79 HydrophobicContact CB-CD2 4.48Å; I76-Y79 HydrophobicContact CG1-CD2 4.21Å; I76-Y79 HydrophobicContact CG1-CE2 4.02Å; Y79-E83 HydrophobicContact CG-CB 4.49Å; Y79-L87 HydrophobicContact CD2-CD2 4.06Å; Y79-L87 HydrophobicContact CE2-CD2 3.56Å; Y79-P124 WeakPolarHBondContact OH-CB 3.3Å; Y79-P124 WeakPolarHBondContact OH-CG 3.44Å; Y79-Q191 PolarHBondContact O-NE2 3.32Å
80	T	94.1	Very high	92.9	Very high	76 Å²	76	43.4 Å²	43.4	47%	0.466	23%	0.225	S	C	.	.			trans	-61.4	155.6	162.9	65	0	0	0	0	109.8	E82 E83 N84	T80-E82 PolarHBondContact O-N 3.34Å; T80-E83 PolarHBondContact N-OE2 3.18Å; T80-E83 PolarHBondContact O-N 2.8Å; T80-E83 VanDerWaalsContact O-N 3.11Å; T80-E83 WeakPolarHBondContact OG1-CB 2.87Å; T80-E83 WeakPolarHBondContact OG1-CG 3.43Å; T80-E83 PolarHBondContact OG1-N 3.02Å; T80-E83 VanDerWaalsContact OG1-N 3.13Å; T80-E83 PolarHBondContact OG1-OE2 2.83Å; T80-N84 PolarHBondContact O-N 3.35Å
81	I	93.2	Very high	93.1	Very high	93 Å²	93	40.8 Å²	40.8	48%	0.477	20%	0.203	S	C	.	.	H	α-helix	trans	-53.5	-40.1	176.4	-65.9	172.9	0	0	0	110.8	R85	I81-R85 HydrophobicContact CG2-CG 4.41Å; I81-R85 WeakPolarHBondContact O-CB 3.37Å; I81-R85 VanDerWaalsContact O-CG 3.22Å; I81-R85 WeakPolarHBondContact O-CG 3.45Å; I81-R85 PolarHBondContact O-N 2.85Å
82	E	95.3	Very high	93.3	Very high	148 Å²	148	40.9 Å²	40.9	69%	0.692	20%	0.201	S	C	*	.	H	α-helix	trans	-67.1	-45.3	178.1	-64.9	-175.5	-179.1	0	0	112.6	T80 N84 R85 K86	T80-E82 PolarHBondContact O-N 3.34Å; E82-N84 VanDerWaalsContact C-N 3.34Å; E82-N84 PolarHBondContact O-N 3.39Å; E82-R85 PolarHBondContact O-N 3.45Å; E82-K86 WeakPolarHBondContact O-CB 3.26Å; E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 3.4Å
83	E	95.6	Very high	93.7	Very high	57 Å²	57	44.4 Å²	44.4	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-58.4	-46.5	174.8	-76.1	168.6	155.1	0	0	110.9	H69 K74 Y79 T80 K86 L87	H69-E83 IonicContact NE2-OE1 2.78Å; K74-E83 IonicContact NZ-OE1 3.93Å; K74-E83 PolarHBondContact NZ-OE1 2.74Å; K74-E83 IonicContact NZ-OE2 2.84Å; K74-E83 PolarHBondContact NZ-OE2 2.68Å; Y79-E83 HydrophobicContact CG-CB 4.49Å; T80-E83 PolarHBondContact N-OE2 3.18Å; T80-E83 PolarHBondContact O-N 2.8Å; T80-E83 VanDerWaalsContact O-N 3.11Å; T80-E83 WeakPolarHBondContact OG1-CB 2.87Å; T80-E83 WeakPolarHBondContact OG1-CG 3.43Å; T80-E83 PolarHBondContact OG1-N 3.02Å; T80-E83 VanDerWaalsContact OG1-N 3.13Å; T80-E83 PolarHBondContact OG1-OE2 2.83Å; E83-K86 PolarHBondContact O-N 2.78Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 PolarHBondContact O-N 3.42Å
84	N	95.6	Very high	94.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-41.9	-179	-174.4	54.2	0	0	0	112.1	T80 E82 K86 L87 F88 A187 Q191	T80-N84 PolarHBondContact O-N 3.35Å; E82-N84 VanDerWaalsContact C-N 3.34Å; E82-N84 PolarHBondContact O-N 3.39Å; N84-K86 PolarHBondContact O-N 2.66Å; N84-L87 WeakPolarHBondContact O-CB 3.38Å; N84-L87 PolarHBondContact O-N 2.98Å; N84-F88 WeakPolarHBondContact O-CD2 3.16Å; N84-F88 PolarHBondContact O-N 3.35Å; N84-F88 WeakPolarHBondContact OD1-CE2 3.42Å; N84-A187 PolarHBondContact ND2-O 3.47Å; N84-Q191 WeakPolarHBondContact ND2-CB 3.21Å
85	R	96.9	Very high	94.3	Very high	82 Å²	82	41 Å²	41	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-40.5	174.5	-73.2	173.3	178.1	-175.3	-1.9	112.5	I81 E82 T89 Y184 A187 D188	I81-R85 HydrophobicContact CG2-CG 4.41Å; I81-R85 WeakPolarHBondContact O-CB 3.37Å; I81-R85 VanDerWaalsContact O-CG 3.22Å; I81-R85 WeakPolarHBondContact O-CG 3.45Å; I81-R85 PolarHBondContact O-N 2.85Å; E82-R85 PolarHBondContact O-N 3.45Å; R85-T89 WeakPolarHBondContact O-CB 3.4Å; R85-T89 PolarHBondContact O-N 3.12Å; R85-T89 PolarHBondContact O-OG1 2.93Å; R85-Y184 HydrophobicContact CB-CD1 3.94Å; R85-Y184 HydrophobicContact CB-CE1 4.36Å; R85-Y184 HydrophobicContact CG-CD1 4.05Å; R85-Y184 HydrophobicContact CG-CG 4.2Å; R85-A187 HydrophobicContact CG-CB 4.15Å; R85-D188 IonicContact CZ-OD1 2.65Å; R85-D188 IonicContact CZ-OD2 2.95Å; R85-D188 IonicContact NE-OD1 2.86Å; R85-D188 PolarHBondContact NE-OD1 3.38Å; R85-D188 IonicContact NE-OD2 3.65Å; R85-D188 PolarHBondContact NE-OD2 3.3Å; R85-D188 IonicContact NH2-OD1 3.23Å; R85-D188 IonicContact NH2-OD2 3.9Å; R85-D188 PolarHBondContact NH2-OD2 3.06Å
86	K	96.7	Very high	94.5	Very high	84 Å²	84	43 Å²	43	37%	0.365	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-44.7	172.9	-75.7	-177.5	-177.9	-171.9	0	111.2	E46 M48 E82 E83 N84 T89 F90	E46-K86 VanDerWaalsContact CD-NZ 3.28Å; E46-K86 IonicContact OE1-NZ 3.89Å; E46-K86 PolarHBondContact OE1-NZ 2.97Å; E46-K86 IonicContact OE2-NZ 2.79Å; E46-K86 PolarHBondContact OE2-NZ 3.47Å; M48-K86 HydrophobicContact CE-CB 4.25Å; E82-K86 WeakPolarHBondContact O-CB 3.26Å; E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 3.4Å; E83-K86 PolarHBondContact O-N 2.78Å; N84-K86 PolarHBondContact O-N 2.66Å; K86-T89 PolarHBondContact O-N 2.97Å; K86-F90 WeakPolarHBondContact O-CB 3.48Å; K86-F90 PolarHBondContact O-N 3.2Å
87	L	96.7	Very high	94.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-50.8	176.6	173.3	62.2	0	0	0	112.3	M48 I66 E68 I76 Y79 E83 N84 T89 F90 A91 M126	M48-L87 HydrophobicContact CG-CD1 4.49Å; M48-L87 VanDerWaalsContact SD-CA 3.53Å; M48-L87 HydrophobicContact SD-CB 4.15Å; M48-L87 HydrophobicContact SD-CD1 3.95Å; I66-L87 HydrophobicContact CG2-CD1 4.36Å; E68-L87 HydrophobicContact CB-CD1 3.89Å; E68-L87 HydrophobicContact CB-CD2 3.99Å; E68-L87 HydrophobicContact CG-CD1 3.85Å; E68-L87 HydrophobicContact CG-CD2 3.98Å; I76-L87 HydrophobicContact CG1-CD2 4.48Å; Y79-L87 HydrophobicContact CD2-CD2 4.06Å; Y79-L87 HydrophobicContact CE2-CD2 3.56Å; E83-L87 WeakPolarHBondContact O-CB 3.43Å; E83-L87 PolarHBondContact O-N 3.42Å; N84-L87 WeakPolarHBondContact O-CB 3.38Å; N84-L87 PolarHBondContact O-N 2.98Å; L87-T89 VanDerWaalsContact C-N 3.32Å; L87-T89 PolarHBondContact O-N 2.99Å; L87-F90 PolarHBondContact O-N 3.42Å; L87-A91 VanDerWaalsContact O-CB 3.28Å; L87-A91 WeakPolarHBondContact O-CB 3.44Å; L87-A91 PolarHBondContact O-N 2.93Å; L87-M126 HydrophobicContact CD2-CE 3.99Å; L87-M126 HydrophobicContact CG-CE 4.29Å
88	F	96.3	Very high	95.2	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-40.2	178.6	-91.3	-103.6	0	0	0	112.1	I76 N84 A91 F92 I183 L186 A187 V190	I76-F88 HydrophobicContact CD1-CE2 4.46Å; N84-F88 WeakPolarHBondContact O-CD2 3.16Å; N84-F88 PolarHBondContact O-N 3.35Å; N84-F88 WeakPolarHBondContact OD1-CE2 3.42Å; F88-A91 PolarHBondContact O-N 3.47Å; F88-F92 HydrophobicContact CD1-CD2 4.32Å; F88-F92 AromaticContact CD1-CE2 3.88Å; F88-F92 HydrophobicContact CD1-CE2 3.88Å; F88-F92 HydrophobicContact CE1-CE2 4.34Å; F88-F92 WeakPolarHBondContact O-CB 3.1Å; F88-F92 VanDerWaalsContact O-CD2 3.31Å; F88-F92 WeakPolarHBondContact O-CD2 2.9Å; F88-F92 PolarHBondContact O-N 3.42Å; F88-I183 HydrophobicContact CB-CD1 3.97Å; F88-I183 HydrophobicContact CB-CG1 4.13Å; F88-I183 HydrophobicContact CD1-CD1 4.12Å; F88-L186 HydrophobicContact CD1-CG 4.44Å; F88-L186 HydrophobicContact CE1-CG 4.24Å; F88-A187 HydrophobicContact CB-CB 3.63Å; F88-A187 HydrophobicContact CD1-CB 4.01Å; F88-A187 HydrophobicContact CD2-CB 3.6Å; F88-A187 HydrophobicContact CE2-CB 4.26Å; F88-A187 HydrophobicContact CG-CB 3.45Å; F88-A187 VanDerWaalsContact CG-CB 3.45Å; F88-V190 HydrophobicContact CE1-CB 4.22Å; F88-V190 HydrophobicContact CE1-CG1 4.49Å; F88-V190 HydrophobicContact CE1-CG2 4.02Å; F88-V190 HydrophobicContact CE2-CB 4.47Å; F88-V190 HydrophobicContact CE2-CG1 4.4Å; F88-V190 HydrophobicContact CZ-CB 3.65Å; F88-V190 HydrophobicContact CZ-CG1 3.62Å; F88-V190 HydrophobicContact CZ-CG2 3.94Å
89	T	96.3	Very high	95.3	Very high	41 Å²	41	51.4 Å²	51.4	25%	0.252	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-50.8	175.4	-55.2	0	0	0	0	111.1	R85 K86 L87 A91 F92 D93	R85-T89 WeakPolarHBondContact O-CB 3.4Å; R85-T89 PolarHBondContact O-N 3.12Å; R85-T89 PolarHBondContact O-OG1 2.93Å; K86-T89 PolarHBondContact O-N 2.97Å; L87-T89 VanDerWaalsContact C-N 3.32Å; L87-T89 PolarHBondContact O-N 2.99Å; T89-A91 PolarHBondContact O-N 3.27Å; T89-F92 PolarHBondContact O-N 3.13Å; T89-D93 WeakPolarHBondContact O-CB 3.4Å; T89-D93 PolarHBondContact O-N 2.89Å
90	F	97.5	Very high	95.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-46	178.2	178.3	-97.1	0	0	0	112.1	R43 E45 M48 W50 I66 K86 L87 D93 C94	R43-F90 HydrophobicContact CB-CE2 4.33Å; R43-F90 HydrophobicContact CB-CZ 4.33Å; R43-F90 VanDerWaalsContact CD-CE2 3.48Å; R43-F90 HydrophobicContact CG-CE2 3.75Å; R43-F90 HydrophobicContact CG-CZ 4.25Å; E45-F90 HydrophobicContact CB-CD2 3.67Å; E45-F90 HydrophobicContact CB-CE2 3.65Å; E45-F90 HydrophobicContact CG-CD2 4.48Å; M48-F90 HydrophobicContact CB-CD1 3.95Å; M48-F90 HydrophobicContact CB-CE1 3.9Å; M48-F90 HydrophobicContact CB-CE2 4.46Å; M48-F90 HydrophobicContact CB-CG 4.27Å; M48-F90 HydrophobicContact CB-CZ 4.17Å; M48-F90 HydrophobicContact CE-CB 3.87Å; M48-F90 HydrophobicContact CE-CD2 4.42Å; M48-F90 HydrophobicContact CE-CG 4.14Å; M48-F90 HydrophobicContact SD-CB 3.67Å; M48-F90 HydrophobicContact SD-CD1 3.98Å; M48-F90 HydrophobicContact SD-CG 3.87Å; W50-F90 HydrophobicContact CB-CE1 3.97Å; W50-F90 HydrophobicContact CB-CZ 3.79Å; I66-F90 HydrophobicContact CG1-CE1 4.47Å; I66-F90 HydrophobicContact CG2-CD1 4.02Å; I66-F90 HydrophobicContact CG2-CE1 3.87Å; K86-F90 WeakPolarHBondContact O-CB 3.48Å; K86-F90 PolarHBondContact O-N 3.2Å; L87-F90 PolarHBondContact O-N 3.42Å; F90-D93 PolarHBondContact O-N 3.34Å; F90-C94 PolarHBondContact O-N 3.43Å; F90-C94 VanDerWaalsContact O-N 3.08Å; F90-C94 PolarHBondContact O-SG 3.43Å; F90-C94 VanDerWaalsContact O-SG 3.37Å
91	A	96.2	Very high	95.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-43.4	-177.8	0	0	0	0	0	112.5	I66 L87 F88 T89 C94 W95 F109 M126	I66-A91 HydrophobicContact CD1-CB 3.67Å; L87-A91 VanDerWaalsContact O-CB 3.28Å; L87-A91 WeakPolarHBondContact O-CB 3.44Å; L87-A91 PolarHBondContact O-N 2.93Å; F88-A91 PolarHBondContact O-N 3.47Å; T89-A91 PolarHBondContact O-N 3.27Å; A91-C94 PolarHBondContact O-N 2.95Å; A91-W95 WeakPolarHBondContact O-CB 3.36Å; A91-W95 PolarHBondContact O-N 2.93Å; A91-F109 HydrophobicContact CB-CE1 4.47Å; A91-F109 HydrophobicContact CB-CE2 4.24Å; A91-F109 HydrophobicContact CB-CZ 3.67Å; A91-M126 HydrophobicContact CB-SD 4.07Å
92	F	95	Very high	95.6	Very high	52 Å²	52	59.3 Å²	59.3	23%	0.228	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-33.4	177.2	-89.5	-107.8	0	0	0	112.6	F88 T89 W95 T96 F109 I183 L186	F88-F92 HydrophobicContact CD1-CD2 4.32Å; F88-F92 AromaticContact CD1-CE2 3.88Å; F88-F92 HydrophobicContact CD1-CE2 3.88Å; F88-F92 HydrophobicContact CE1-CE2 4.34Å; F88-F92 WeakPolarHBondContact O-CB 3.1Å; F88-F92 VanDerWaalsContact O-CD2 3.31Å; F88-F92 WeakPolarHBondContact O-CD2 2.9Å; F88-F92 PolarHBondContact O-N 3.42Å; T89-F92 PolarHBondContact O-N 3.13Å; F92-W95 AromaticContact CD1-CE3 3.7Å; F92-W95 HydrophobicContact CD1-CE3 3.7Å; F92-W95 AromaticContact CD1-CZ3 3.73Å; F92-W95 HydrophobicContact CD1-CZ3 3.73Å; F92-W95 AromaticContact CE1-CE3 3.97Å; F92-W95 HydrophobicContact CE1-CE3 3.97Å; F92-W95 AromaticContact CE1-CZ3 3.67Å; F92-W95 HydrophobicContact CE1-CZ3 3.67Å; F92-W95 HydrophobicContact CG-CE3 4.37Å; F92-W95 PolarHBondContact O-N 3.41Å; F92-T96 WeakPolarHBondContact O-CB 3.27Å; F92-T96 PolarHBondContact O-N 3.2Å; F92-T96 PolarHBondContact O-OG1 3.03Å; F92-F109 AromaticContact CD2-CE1 3.91Å; F92-F109 HydrophobicContact CD2-CE1 3.91Å; F92-F109 HydrophobicContact CE2-CD1 4.48Å; F92-F109 AromaticContact CE2-CE1 3.69Å; F92-F109 HydrophobicContact CE2-CE1 3.69Å; F92-F109 HydrophobicContact CZ-CE1 4.32Å; F92-I183 HydrophobicContact CB-CD1 4.1Å; F92-I183 HydrophobicContact CD1-CD1 3.96Å; F92-I183 HydrophobicContact CD2-CD1 3.4Å; F92-I183 HydrophobicContact CE1-CD1 4.23Å; F92-I183 HydrophobicContact CE2-CD1 3.68Å; F92-I183 HydrophobicContact CG-CD1 3.53Å; F92-I183 HydrophobicContact CZ-CD1 4.1Å; F92-L186 HydrophobicContact CE1-CD2 4.24Å; F92-L186 HydrophobicContact CE2-CD2 4Å; F92-L186 HydrophobicContact CZ-CD2 3.47Å; F92-L186 VanDerWaalsContact CZ-CD2 3.47Å
93	D	96.1	Very high	95.6	Very high	74 Å²	74	56.8 Å²	56.8	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-48	171.2	-82.6	-6	0	0	0	111.4	R43 T89 F90 T96 K97	R43-D93 IonicContact CZ-OD2 3.75Å; R43-D93 IonicContact NH1-OD2 3.11Å; R43-D93 PolarHBondContact NH1-OD2 2.93Å; R43-D93 VanDerWaalsContact NH1-OD2 3.11Å; R43-D93 IonicContact NH2-OD2 2.69Å; R43-D93 PolarHBondContact NH2-OD2 3.23Å; T89-D93 WeakPolarHBondContact O-CB 3.4Å; T89-D93 PolarHBondContact O-N 2.89Å; F90-D93 PolarHBondContact O-N 3.34Å; D93-T96 PolarHBondContact O-N 3.48Å; D93-K97 WeakPolarHBondContact O-CB 3.18Å; D93-K97 PolarHBondContact O-N 3.37Å
94	C	96.7	Very high	95.5	Very high	1 Å²	1	55 Å²	55	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-47.5	177.2	-74	0	0	0	0	111.1	W50 I66 F90 A91 K97 T98 I128	W50-C94 HydrophobicContact CD2-CB 3.85Å; W50-C94 HydrophobicContact CE3-CB 4.12Å; W50-C94 HydrophobicContact CG-CB 4.21Å; W50-C94 HydrophobicContact CH2-CB 4.48Å; W50-C94 HydrophobicContact CZ2-CB 4.25Å; W50-C94 HydrophobicContact CZ3-CB 4.43Å; I66-C94 HydrophobicContact CD1-CB 4.3Å; F90-C94 PolarHBondContact O-N 3.43Å; F90-C94 VanDerWaalsContact O-N 3.08Å; F90-C94 PolarHBondContact O-SG 3.43Å; F90-C94 VanDerWaalsContact O-SG 3.37Å; A91-C94 PolarHBondContact O-N 2.95Å; C94-K97 WeakPolarHBondContact O-CB 3.14Å; C94-K97 PolarHBondContact O-N 3.04Å; C94-T98 PolarHBondContact O-N 2.72Å; C94-T98 PolarHBondContact O-OG1 3Å; C94-I128 HydrophobicContact CB-CD1 3.66Å
95	W	93.9	Very high	95.3	Very high	55 Å²	55	61.2 Å²	61.2	21%	0.208	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-45.2	177.3	172.7	60.2	0	0	0	112.1	A91 F92 K97 T98 K99 V107 F109 I128	A91-W95 WeakPolarHBondContact O-CB 3.36Å; A91-W95 PolarHBondContact O-N 2.93Å; F92-W95 AromaticContact CD1-CE3 3.7Å; F92-W95 HydrophobicContact CD1-CE3 3.7Å; F92-W95 AromaticContact CD1-CZ3 3.73Å; F92-W95 HydrophobicContact CD1-CZ3 3.73Å; F92-W95 AromaticContact CE1-CE3 3.97Å; F92-W95 HydrophobicContact CE1-CE3 3.97Å; F92-W95 AromaticContact CE1-CZ3 3.67Å; F92-W95 HydrophobicContact CE1-CZ3 3.67Å; F92-W95 HydrophobicContact CG-CE3 4.37Å; F92-W95 PolarHBondContact O-N 3.41Å; W95-K97 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.35Å; W95-T98 PolarHBondContact O-N 3.32Å; W95-K99 HydrophobicContact CD2-CD 4.19Å; W95-K99 VanDerWaalsContact CE2-CD 3.42Å; W95-K99 HydrophobicContact CH2-CD 4.19Å; W95-K99 HydrophobicContact CZ2-CD 3.44Å; W95-K99 VanDerWaalsContact CZ2-CD 3.44Å; W95-K99 PolarHBondContact O-N 2.85Å; W95-V107 PolarHBondContact NE1-O 3.03Å; W95-F109 HydrophobicContact CB-CB 4.49Å; W95-F109 HydrophobicContact CB-CD1 4.34Å; W95-F109 HydrophobicContact CB-CG 4.37Å; W95-F109 HydrophobicContact CD2-CB 4.4Å; W95-F109 HydrophobicContact CD2-CD1 4.34Å; W95-F109 HydrophobicContact CG-CB 3.92Å; W95-F109 HydrophobicContact CG-CD1 4.2Å; W95-F109 HydrophobicContact CG-CG 4.23Å; W95-I128 HydrophobicContact CB-CD1 3.94Å; W95-I128 HydrophobicContact CB-CG1 4.29Å
96	T	93.8	Very high	95	Very high	52 Å²	52	57.8 Å²	57.8	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-40.3	177.3	-61.9	0	0	0	0	111.5	F92 D93 T98 K99 K100	F92-T96 WeakPolarHBondContact O-CB 3.27Å; F92-T96 PolarHBondContact O-N 3.2Å; F92-T96 PolarHBondContact O-OG1 3.03Å; D93-T96 PolarHBondContact O-N 3.48Å; T96-T98 VanDerWaalsContact C-N 3.35Å; T96-K99 PolarHBondContact O-N 3.23Å; T96-K100 HydrophobicContact CG2-CD 4.27Å; T96-K100 WeakPolarHBondContact O-CG 3.32Å; T96-K100 PolarHBondContact O-N 3.15Å; T96-K100 VanDerWaalsContact O-N 3.11Å
97	K	96.3	Very high	94.7	Very high	133 Å²	133	54 Å²	54	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-61	-44.5	174.8	-176.7	-179.7	175.8	-176	0	110.9	W50 D93 C94 W95 K100	W50-K97 HydrophobicContact CH2-CD 4.22Å; W50-K97 HydrophobicContact CZ3-CD 3.96Å; D93-K97 WeakPolarHBondContact O-CB 3.18Å; D93-K97 PolarHBondContact O-N 3.37Å; C94-K97 WeakPolarHBondContact O-CB 3.14Å; C94-K97 PolarHBondContact O-N 3.04Å; W95-K97 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.35Å; K97-K100 PolarHBondContact O-N 3.46Å
98	T	94.4	Very high	94.4	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-41	176	-53.7	0	0	0	0	111.8	W50 F62 C94 W95 T96 K100 D101 F104 V107 I128	W50-T98 WeakPolarHBondContact CZ2-OG1 3.35Å; F62-T98 HydrophobicContact CD1-CG2 4.24Å; C94-T98 PolarHBondContact O-N 2.72Å; C94-T98 PolarHBondContact O-OG1 3Å; W95-T98 PolarHBondContact O-N 3.32Å; T96-T98 VanDerWaalsContact C-N 3.35Å; T98-K100 PolarHBondContact O-N 3.08Å; T98-D101 WeakPolarHBondContact O-CB 3.36Å; T98-D101 PolarHBondContact O-N 2.56Å; T98-D101 VanDerWaalsContact O-N 3.11Å; T98-F104 HydrophobicContact CG2-CD2 3.76Å; T98-F104 HydrophobicContact CG2-CE2 3.64Å; T98-F104 WeakPolarHBondContact O-CD2 3.31Å; T98-V107 HydrophobicContact CG2-CB 4.4Å; T98-V107 HydrophobicContact CG2-CG1 3.59Å; T98-V107 HydrophobicContact CG2-CG2 3.86Å; T98-I128 HydrophobicContact CG2-CG2 4.11Å
99	K	92.2	Very high	94.1	Very high	98 Å²	98	58.2 Å²	58.2	43%	0.426	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-28.4	176.6	-82.5	-166.3	75.7	150.5	0	114	W95 T96 D101 V107 E137	W95-K99 HydrophobicContact CD2-CD 4.19Å; W95-K99 VanDerWaalsContact CE2-CD 3.42Å; W95-K99 HydrophobicContact CH2-CD 4.19Å; W95-K99 HydrophobicContact CZ2-CD 3.44Å; W95-K99 VanDerWaalsContact CZ2-CD 3.44Å; W95-K99 PolarHBondContact O-N 2.85Å; T96-K99 PolarHBondContact O-N 3.23Å; K99-D101 VanDerWaalsContact C-N 3.3Å; K99-V107 HydrophobicContact CB-CG2 4.45Å; K99-V107 HydrophobicContact CG-CB 3.66Å; K99-V107 HydrophobicContact CG-CG1 4.33Å; K99-V107 HydrophobicContact CG-CG2 3.86Å; K99-E137 IonicContact NZ-OE1 2.71Å
100	K	95.4	Very high	93.8	Very high	164 Å²	164	60.2 Å²	60.2	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.2	177.8	-73.3	174.5	-179.3	174.9	0	113.5	T96 K97 T98 P102	T96-K100 HydrophobicContact CG2-CD 4.27Å; T96-K100 WeakPolarHBondContact O-CG 3.32Å; T96-K100 PolarHBondContact O-N 3.15Å; T96-K100 VanDerWaalsContact O-N 3.11Å; K97-K100 PolarHBondContact O-N 3.46Å; T98-K100 PolarHBondContact O-N 3.08Å; K100-P102 WeakPolarHBondContact O-CD 3.46Å
101	D	95.7	Very high	93.4	Very high	55 Å²	55	62.5 Å²	62.5	29%	0.294	30%	0.298	S	S	.	.			trans	-78.5	116.8	179.8	-172	-23.3	0	0	0	110.2	T98 K99 Q103 F104	T98-D101 WeakPolarHBondContact O-CB 3.36Å; T98-D101 PolarHBondContact O-N 2.56Å; T98-D101 VanDerWaalsContact O-N 3.11Å; K99-D101 VanDerWaalsContact C-N 3.3Å; D101-Q103 PolarHBondContact O-N 3.19Å; D101-Q103 VanDerWaalsContact OD1-CG 3.25Å; D101-Q103 WeakPolarHBondContact OD1-CG 3.28Å; D101-Q103 PolarHBondContact OD1-N 2.87Å; D101-Q103 VanDerWaalsContact OD1-N 3.12Å; D101-Q103 PolarHBondContact OD2-NE2 3.22Å; D101-F104 HydrophobicContact CB-CD2 3.8Å; D101-F104 HydrophobicContact CB-CE2 3.84Å; D101-F104 PolarHBondContact O-N 3.32Å
102	P	95.5	Very high	92.4	Very high	128 Å²	128	64.9 Å²	64.9	83%	0.831	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-9.6	-173.9	28.9	-37.1	0	0	0	114.1	K100 F104	K100-P102 WeakPolarHBondContact O-CD 3.46Å; P102-F104 PolarHBondContact O-N 3.07Å
103	Q	95.3	Very high	91.5	Very high	95 Å²	95	65.2 Å²	65.2	44%	0.444	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.2	176.7	80.9	-177.1	-42.3	0	0	113.4	D101	D101-Q103 PolarHBondContact O-N 3.19Å; D101-Q103 VanDerWaalsContact OD1-CG 3.25Å; D101-Q103 WeakPolarHBondContact OD1-CG 3.28Å; D101-Q103 PolarHBondContact OD1-N 2.87Å; D101-Q103 VanDerWaalsContact OD1-N 3.12Å; D101-Q103 PolarHBondContact OD2-NE2 3.22Å
104	F	93.8	Very high	90	Very high	20 Å²	20	63.1 Å²	63.1	9%	0.088	31%	0.309	C	S	.	.			trans	-106	130.8	-178.5	-52.8	-56.3	0	0	0	111	F62 T98 D101 P102 V107 L131 K132	F62-F104 HydrophobicContact CB-CD1 4.49Å; F62-F104 HydrophobicContact CB-CE1 3.33Å; F62-F104 HydrophobicContact CB-CE2 4.44Å; F62-F104 HydrophobicContact CB-CZ 3.3Å; F62-F104 HydrophobicContact CD1-CE2 4.17Å; F62-F104 AromaticContact CD1-CZ 3.69Å; F62-F104 HydrophobicContact CD1-CZ 3.69Å; F62-F104 HydrophobicContact CG-CE1 4.18Å; F62-F104 AromaticContact CG-CZ 3.62Å; F62-F104 HydrophobicContact CG-CZ 3.62Å; T98-F104 HydrophobicContact CG2-CD2 3.76Å; T98-F104 HydrophobicContact CG2-CE2 3.64Å; T98-F104 WeakPolarHBondContact O-CD2 3.31Å; D101-F104 HydrophobicContact CB-CD2 3.8Å; D101-F104 HydrophobicContact CB-CE2 3.84Å; D101-F104 PolarHBondContact O-N 3.32Å; P102-F104 PolarHBondContact O-N 3.07Å; F104-V107 HydrophobicContact CB-CG2 4Å; F104-V107 HydrophobicContact CD2-CG2 4.32Å; F104-V107 HydrophobicContact CG-CG2 4.41Å; F104-L131 CarbonylContact C-O 3.57Å; F104-L131 WeakPolarHBondContact CA-O 3.48Å; F104-K132 HydrophobicContact CD1-CG 4.11Å; F104-K132 HydrophobicContact CE1-CG 4.3Å
105	K	91.5	Very high	88.1	Confident	130 Å²	130	68.1 Å²	68.1	57%	0.565	34%	0.342	S	S	*	.	S	Bend	trans	-74	-36.8	171.8	-175	179.8	-177.7	-163.8	0	111.9	L131 K132 E133 D135	K105-L131 PolarHBondContact N-O 3.2Å; K105-K132 WeakPolarHBondContact CB-O 3.47Å; K105-E133 WeakPolarHBondContact CD-O 3.24Å; K105-E133 PolarHBondContact NZ-O 3.36Å; K105-D135 HydrophobicContact CD-CB 4.35Å
106	S	89.6	Confident	86.3	Confident	11 Å²	11	71 Å²	71	8%	0.077	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.3	174.7	64.5	0	0	0	0	110.4	L131 I134 D135 G136	S106-L131 PolarHBondContact N-O 3.31Å; S106-L131 PolarHBondContact O-N 3.22Å; S106-I134 PolarHBondContact OG-O 3.33Å; S106-D135 WeakPolarHBondContact OG-CA 3.42Å; S106-G136 PolarHBondContact OG-N 3.4Å
107	V	91.5	Very high	84.5	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	115.1	-178.8	-176.3	0	0	0	0	109.8	W95 T98 K99 F104 I128 V129	W95-V107 PolarHBondContact NE1-O 3.03Å; T98-V107 HydrophobicContact CG2-CB 4.4Å; T98-V107 HydrophobicContact CG2-CG1 3.59Å; T98-V107 HydrophobicContact CG2-CG2 3.86Å; K99-V107 HydrophobicContact CB-CG2 4.45Å; K99-V107 HydrophobicContact CG-CB 3.66Å; K99-V107 HydrophobicContact CG-CG1 4.33Å; K99-V107 HydrophobicContact CG-CG2 3.86Å; F104-V107 HydrophobicContact CB-CG2 4Å; F104-V107 HydrophobicContact CD2-CG2 4.32Å; F104-V107 HydrophobicContact CG-CG2 4.41Å; V107-I128 HydrophobicContact CG1-CG2 3.61Å; V107-V129 WeakPolarHBondContact CA-O 3.26Å
108	L	88.8	Confident	82.5	Confident	50 Å²	50	67.4 Å²	67.4	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.6	176.6	-57.9	-179.4	0	0	0	110.5	I128 V129 L131	L108-I128 CarbonylContact O-C 3.43Å; L108-I128 WeakPolarHBondContact O-CA 3.24Å; L108-V129 HydrophobicContact CB-CB 4.42Å; L108-V129 PolarHBondContact N-O 2.74Å; L108-V129 PolarHBondContact O-N 3.22Å; L108-L131 HydrophobicContact CD1-CD1 3.93Å; L108-L131 HydrophobicContact CG-CD1 4.03Å
109	F	91.2	Very high	80.8	Confident	55 Å²	55	67.9 Å²	67.9	24%	0.241	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.3	172.1	174	-142.1	0	0	0	109	I66 A91 F92 W95 M126 Q127 I128	I66-F109 HydrophobicContact CD1-CE2 4.47Å; A91-F109 HydrophobicContact CB-CE1 4.47Å; A91-F109 HydrophobicContact CB-CE2 4.24Å; A91-F109 HydrophobicContact CB-CZ 3.67Å; F92-F109 AromaticContact CD2-CE1 3.91Å; F92-F109 HydrophobicContact CD2-CE1 3.91Å; F92-F109 HydrophobicContact CE2-CD1 4.48Å; F92-F109 AromaticContact CE2-CE1 3.69Å; F92-F109 HydrophobicContact CE2-CE1 3.69Å; F92-F109 HydrophobicContact CZ-CE1 4.32Å; W95-F109 HydrophobicContact CB-CB 4.49Å; W95-F109 HydrophobicContact CB-CD1 4.34Å; W95-F109 HydrophobicContact CB-CG 4.37Å; W95-F109 HydrophobicContact CD2-CB 4.4Å; W95-F109 HydrophobicContact CD2-CD1 4.34Å; W95-F109 HydrophobicContact CG-CB 3.92Å; W95-F109 HydrophobicContact CG-CD1 4.2Å; W95-F109 HydrophobicContact CG-CG 4.23Å; F109-M126 HydrophobicContact CE2-CB 3.86Å; F109-M126 HydrophobicContact CE2-CG 4.38Å; F109-M126 HydrophobicContact CE2-SD 3.67Å; F109-M126 HydrophobicContact CZ-SD 3.57Å; F109-M126 VanDerWaalsContact CZ-SD 3.57Å; F109-Q127 WeakPolarHBondContact CA-O 3.44Å; F109-I128 HydrophobicContact CB-CG1 4.41Å; F109-I128 HydrophobicContact CD2-CD1 4.49Å; F109-I128 HydrophobicContact CD2-CG1 3.65Å; F109-I128 HydrophobicContact CE2-CG1 4.29Å; F109-I128 HydrophobicContact CG-CG1 4.26Å
110	Y	89.1	Confident	79.3	Confident	83 Å²	83	65.4 Å²	65.4	33%	0.325	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.3	-175.7	66.1	-83.5	0	0	0	112	Q127 V129	Y110-Q127 HydrophobicContact CD1-CB 4.31Å; Y110-Q127 HydrophobicContact CD2-CB 4.48Å; Y110-Q127 HydrophobicContact CE1-CB 3.82Å; Y110-Q127 HydrophobicContact CE2-CB 3.98Å; Y110-Q127 HydrophobicContact CE2-CG 4.26Å; Y110-Q127 VanDerWaalsContact CE2-OE1 3.22Å; Y110-Q127 PolarHBondContact N-O 3.34Å; Y110-Q127 PolarHBondContact O-N 3.1Å; Y110-Q127 VanDerWaalsContact OH-CD 3.28Å; Y110-Q127 PolarHBondContact OH-NE2 3.12Å; Y110-Q127 PolarHBondContact OH-OE1 2.84Å; Y110-V129 HydrophobicContact CE1-CG2 3.94Å
111	K	88.9	Confident	78.2	Confident	48 Å²	48	58.7 Å²	58.7	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.5	172.5	177	169.9	177.7	159.1	0	109	E68 I76 M126	E68-K111 WeakPolarHBondContact OE1-CD 3.25Å; E68-K111 WeakPolarHBondContact OE1-CE 3.25Å; E68-K111 IonicContact OE1-NZ 3.19Å; E68-K111 PolarHBondContact OE1-NZ 2.91Å; E68-K111 IonicContact OE2-NZ 2.66Å; E68-K111 PolarHBondContact OE2-NZ 3.42Å; I76-K111 HydrophobicContact CD1-CD 3.75Å; K111-M126 HydrophobicContact CB-CG 4.09Å; K111-M126 HydrophobicContact CD-CE 4.04Å; K111-M126 HydrophobicContact CD-CG 4.09Å; K111-M126 HydrophobicContact CG-CG 4.31Å
112	N	76.3	Confident	77.5	Confident	51 Å²	51	60 Å²	60	27%	0.273	34%	0.34	S	S	.	.			trans	-108.3	130.4	170.5	-69.5	-22.4	0	0	0	108.2
113	H	75.2	Confident	77.2	Confident	59 Å²	59	53.9 Å²	53.9	27%	0.273	30%	0.301	S	S	.	.			trans	-132.1	139.3	176.1	-177.4	86.5	0	0	0	112.3	D75 S117 Y194	D75-H113 IonicContact OD2-CE1 2.67Å; D75-H113 PolarHBondContact OD2-CE1 3.4Å; D75-H113 VanDerWaalsContact OD2-CE1 3.23Å; D75-H113 IonicContact OD2-NE2 3.67Å; H113-S117 VanDerWaalsContact C-OG 3.3Å; H113-S117 PolarHBondContact N-OG 3.33Å; H113-S117 WeakPolarHBondContact O-CB 3.48Å; H113-S117 PolarHBondContact O-OG 2.84Å; H113-S117 VanDerWaalsContact O-OG 3.11Å; H113-Y194 HydrophobicContact CB-CE2 4.25Å; H113-Y194 WeakPolarHBondContact CB-OH 3.29Å; H113-Y194 PolarHBondContact CD2-OH 2.87Å; H113-Y194 VanDerWaalsContact CD2-OH 3.22Å; H113-Y194 PolarHBondContact CE1-OH 3.15Å; H113-Y194 AromaticContact CG-CZ 3.9Å; H113-Y194 PolarHBondContact ND1-OH 3.15Å; H113-Y194 PolarHBondContact NE2-OH 3.47Å
114	G	65.1	Low	77	Confident	30 Å²	30	49.6 Å²	49.6	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	79	163.1	179	0	0	0	0	0	113.8	L116 S117	G114-L116 PolarHBondContact O-N 3.4Å; G114-L116 VanDerWaalsContact O-N 3.16Å; G114-S117 PolarHBondContact O-N 3.37Å; G114-S117 PolarHBondContact O-OG 3.48Å
115	P	56.1	Low	76.9	Confident	106 Å²	106	49.3 Å²	49.3	69%	0.688	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.8	-170.5	26.4	-35.1	0	0	0	114.1
116	L	57.1	Low	77	Confident	115 Å²	115	43.4 Å²	43.4	60%	0.602	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.2	-178.2	-60.3	176.8	0	0	0	113.7	G114 G118 S223	G114-L116 PolarHBondContact O-N 3.4Å; G114-L116 VanDerWaalsContact O-N 3.16Å; L116-G118 VanDerWaalsContact C-N 3.31Å; L116-S223 VanDerWaalsContact CD1-CA 3.48Å
117	S	56	Low	77	Confident	42 Å²	42	44.2 Å²	44.2	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.6	178.7	64.5	0	0	0	0	114.1	H113 G114 G119	H113-S117 VanDerWaalsContact C-OG 3.3Å; H113-S117 PolarHBondContact N-OG 3.33Å; H113-S117 WeakPolarHBondContact O-CB 3.48Å; H113-S117 PolarHBondContact O-OG 2.84Å; H113-S117 VanDerWaalsContact O-OG 3.11Å; G114-S117 PolarHBondContact O-N 3.37Å; G114-S117 PolarHBondContact O-OG 3.48Å; S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact OG-N 3.1Å
118	G	54	Low	77	Confident	68 Å²	68	44 Å²	44	70%	0.701	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	3.8	-170.8	0	0	0	0	0	114.2	L116	L116-G118 VanDerWaalsContact C-N 3.31Å
119	G	57.4	Low	77	Confident	15 Å²	15	41.8 Å²	41.8	16%	0.155	24%	0.244	C	C	.	.			trans	-67	143.2	169.6	0	0	0	0	0	112.3	S117	S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact OG-N 3.1Å
120	S	61.1	Low	77	Confident	45 Å²	45	39.1 Å²	39.1	32%	0.315	23%	0.233	S	C	.	.			trans	-107	-1.6	177.3	64.5	0	0	0	0	113.9	H22	H22-S120 PolarHBondContact N-O 2.89Å
121	L	73	Confident	77	Confident	23 Å²	23	35.3 Å²	35.3	12%	0.12	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-131	132.4	-174.8	-65.2	173.4	0	0	0	110.4	P20 H22 P31 F32	P20-L121 HydrophobicContact CB-CD2 4.47Å; P20-L121 HydrophobicContact CG-CD2 4.45Å; H22-L121 HydrophobicContact CB-CD2 3.79Å; H22-L121 CarbonylContact O-C 3.54Å; H22-L121 VanDerWaalsContact O-CA 3.24Å; H22-L121 WeakPolarHBondContact O-CA 3.48Å; P31-L121 HydrophobicContact CG-CD1 4.1Å; P31-L121 HydrophobicContact CG-CD2 3.83Å; F32-L121 HydrophobicContact CD2-CD1 4.09Å; F32-L121 HydrophobicContact CE1-CD1 4.06Å; F32-L121 HydrophobicContact CE2-CB 4.35Å; F32-L121 HydrophobicContact CE2-CD1 3.26Å; F32-L121 HydrophobicContact CE2-CG 4.4Å; F32-L121 HydrophobicContact CZ-CD1 3.24Å
122	K	81.1	Confident	77.1	Confident	82 Å²	82	36.9 Å²	36.9	36%	0.357	23%	0.225	S	C	.	.			trans	-74.8	-36.5	177.2	176.8	62.5	-176.7	172	0	112.4	H22	H22-K122 PolarHBondContact O-N 3.01Å
123	H	88.9	Confident	77.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-58.1	132.5	-178.1	-165.3	110.9	0	0	0	110.6	C30 F32 C33 H69 H72 H125	C30-H123 VanDerWaalsContact SG-CB 3.56Å; F32-H123 HydrophobicContact CB-CB 4.06Å; F32-H123 HydrophobicContact CD2-CB 3.99Å; C33-H123 PolarHBondContact SG-ND1 3.37Å; H69-H123 PolarHBondContact O-CE1 3.39Å; H69-H123 PolarHBondContact O-NE2 3.17Å; H72-H123 AromaticContact ND1-ND1 3.5Å; H123-H125 PolarHBondContact O-N 2.92Å; H123-H125 PolarHBondContact O-ND1 3.1Å
124	P	91.3	Very high	78	Confident	5 Å²	5	39 Å²	39	3%	0.032	23%	0.234	C	C	.	.			trans	-62.4	121.8	-172.5	28.7	-40.4	0	0	0	111.5	E68 H69 K74 D75 Y79	E68-P124 HydrophobicContact CB-CB 4.03Å; E68-P124 HydrophobicContact CB-CG 4.34Å; E68-P124 HydrophobicContact CG-CB 4.32Å; E68-P124 PolarHBondContact N-O 2.85Å; E68-P124 VanDerWaalsContact N-O 3.08Å; H69-P124 HydrophobicContact CB-CG 4.34Å; K74-P124 WeakPolarHBondContact O-CB 3.47Å; K74-P124 WeakPolarHBondContact O-CD 3.45Å; K74-P124 WeakPolarHBondContact O-CG 3.13Å; D75-P124 HydrophobicContact CB-CB 4.43Å; Y79-P124 WeakPolarHBondContact OH-CB 3.3Å; Y79-P124 WeakPolarHBondContact OH-CG 3.44Å
125	H	92.5	Very high	78.9	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.1	179.3	66.5	-73.5	0	0	0	113	F32 I65 I66 E68 H123	F32-H125 HydrophobicContact CD2-CB 4.37Å; F32-H125 HydrophobicContact CE2-CB 3.98Å; F32-H125 AromaticContact CE2-CG 3.8Å; F32-H125 AromaticContact CE2-ND1 3.97Å; I65-H125 HydrophobicContact CG2-CB 3.89Å; I66-H125 CarbonylContact O-C 3.57Å; I66-H125 WeakPolarHBondContact O-CA 3.27Å; I66-H125 WeakPolarHBondContact O-CB 3.22Å; E68-H125 VanDerWaalsContact OE1-CA 3.26Å; E68-H125 WeakPolarHBondContact OE1-CA 3.37Å; E68-H125 PolarHBondContact OE1-N 3.14Å; H123-H125 PolarHBondContact O-N 2.92Å; H123-H125 PolarHBondContact O-ND1 3.1Å
126	M	93.1	Very high	79.7	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	167.2	169.5	-51.1	-177.5	168.6	0	0	110.6	I65 I66 E68 I76 L87 A91 F109 K111	I65-M126 CarbonylContact C-O 3.48Å; I65-M126 WeakPolarHBondContact CA-O 3.42Å; I66-M126 HydrophobicContact CB-CB 4.25Å; I66-M126 PolarHBondContact N-O 3.24Å; I66-M126 PolarHBondContact O-N 2.92Å; E68-M126 HydrophobicContact CG-CG 4.18Å; E68-M126 WeakPolarHBondContact OE1-CG 3.42Å; I76-M126 HydrophobicContact CD1-CE 3.9Å; L87-M126 HydrophobicContact CD2-CE 3.99Å; L87-M126 HydrophobicContact CG-CE 4.29Å; A91-M126 HydrophobicContact CB-SD 4.07Å; F109-M126 HydrophobicContact CE2-CB 3.86Å; F109-M126 HydrophobicContact CE2-CG 4.38Å; F109-M126 HydrophobicContact CE2-SD 3.67Å; F109-M126 HydrophobicContact CZ-SD 3.57Å; F109-M126 VanDerWaalsContact CZ-SD 3.57Å; K111-M126 HydrophobicContact CB-CG 4.09Å; K111-M126 HydrophobicContact CD-CE 4.04Å; K111-M126 HydrophobicContact CD-CG 4.09Å; K111-M126 HydrophobicContact CG-CG 4.31Å
127	Q	88.8	Confident	80.8	Confident	27 Å²	27	35 Å²	35	13%	0.126	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.1	-179.9	-61.6	-173	-101.2	0	0	111.2	T64 F109 Y110	T64-Q127 WeakPolarHBondContact O-CA 3.46Å; F109-Q127 WeakPolarHBondContact CA-O 3.44Å; Y110-Q127 HydrophobicContact CD1-CB 4.31Å; Y110-Q127 HydrophobicContact CD2-CB 4.48Å; Y110-Q127 HydrophobicContact CE1-CB 3.82Å; Y110-Q127 HydrophobicContact CE2-CB 3.98Å; Y110-Q127 HydrophobicContact CE2-CG 4.26Å; Y110-Q127 VanDerWaalsContact CE2-OE1 3.22Å; Y110-Q127 PolarHBondContact N-O 3.34Å; Y110-Q127 PolarHBondContact O-N 3.1Å; Y110-Q127 VanDerWaalsContact OH-CD 3.28Å; Y110-Q127 PolarHBondContact OH-NE2 3.12Å; Y110-Q127 PolarHBondContact OH-OE1 2.84Å
128	I	91.4	Very high	81.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.5	168.8	-63.3	161.5	0	0	0	107.5	T64 I66 C94 W95 T98 V107 L108 F109	T64-I128 PolarHBondContact N-O 3.34Å; T64-I128 PolarHBondContact O-N 2.98Å; T64-I128 VanDerWaalsContact O-N 3.16Å; T64-I128 WeakPolarHBondContact OG1-CB 3.49Å; T64-I128 PolarHBondContact OG1-O 3.35Å; I66-I128 HydrophobicContact CD1-CD1 3.55Å; I66-I128 HydrophobicContact CD1-CG1 4.23Å; I66-I128 HydrophobicContact CG1-CD1 4.34Å; C94-I128 HydrophobicContact CB-CD1 3.66Å; W95-I128 HydrophobicContact CB-CD1 3.94Å; W95-I128 HydrophobicContact CB-CG1 4.29Å; T98-I128 HydrophobicContact CG2-CG2 4.11Å; V107-I128 HydrophobicContact CG1-CG2 3.61Å; L108-I128 CarbonylContact O-C 3.43Å; L108-I128 WeakPolarHBondContact O-CA 3.24Å; F109-I128 HydrophobicContact CB-CG1 4.41Å; F109-I128 HydrophobicContact CD2-CD1 4.49Å; F109-I128 HydrophobicContact CD2-CG1 3.65Å; F109-I128 HydrophobicContact CE2-CG1 4.29Å; F109-I128 HydrophobicContact CG-CG1 4.26Å
129	V	89.2	Confident	82.7	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.7	-177	-175.4	0	0	0	0	109.9	T61 F62 Q63 V107 L108 Y110 L131	T61-V129 HydrophobicContact CG2-CG1 4.22Å; F62-V129 CarbonylContact O-C 3.58Å; F62-V129 WeakPolarHBondContact O-CA 3.46Å; Q63-V129 HydrophobicContact CB-CG2 4.49Å; Q63-V129 HydrophobicContact CG-CG1 3.83Å; Q63-V129 HydrophobicContact CG-CG2 4.09Å; V107-V129 WeakPolarHBondContact CA-O 3.26Å; L108-V129 HydrophobicContact CB-CB 4.42Å; L108-V129 PolarHBondContact N-O 2.74Å; L108-V129 PolarHBondContact O-N 3.22Å; Y110-V129 HydrophobicContact CE1-CG2 3.94Å; V129-L131 HydrophobicContact CG1-CD2 3.9Å
130	G	92.2	Very high	83.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.6	170	0	0	0	0	0	110.6	T61 F62	T61-G130 CarbonylContact C-O 3.58Å; T61-G130 WeakPolarHBondContact CA-O 3.42Å; F62-G130 PolarHBondContact N-O 3.29Å; F62-G130 PolarHBondContact O-N 2.93Å
131	L	87.7	Confident	84.8	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.2	177.9	-58.4	-178.5	0	0	0	109.2	L9 T61 F104 K105 S106 L108 V129 I134	L9-L131 HydrophobicContact CD2-CD2 3.88Å; T61-L131 HydrophobicContact CG2-CD2 3.49Å; T61-L131 VanDerWaalsContact CG2-CD2 3.49Å; F104-L131 CarbonylContact C-O 3.57Å; F104-L131 WeakPolarHBondContact CA-O 3.48Å; K105-L131 PolarHBondContact N-O 3.2Å; S106-L131 PolarHBondContact N-O 3.31Å; S106-L131 PolarHBondContact O-N 3.22Å; L108-L131 HydrophobicContact CD1-CD1 3.93Å; L108-L131 HydrophobicContact CG-CD1 4.03Å; V129-L131 HydrophobicContact CG1-CD2 3.9Å; L131-I134 WeakPolarHBondContact CB-O 3.25Å; L131-I134 HydrophobicContact CD1-CB 4.38Å; L131-I134 HydrophobicContact CD1-CG2 4.44Å
132	K	92.5	Very high	85.5	Confident	81 Å²	81	43.2 Å²	43.2	35%	0.352	23%	0.228	S	C	.	.	S	Bend	trans	-74.8	-45.3	-175.7	-64.2	-179.4	-176.8	-177.6	0	112.7	D60 F104 K105	D60-K132 HydrophobicContact CB-CB 4.39Å; D60-K132 WeakPolarHBondContact O-CB 3.42Å; D60-K132 VanDerWaalsContact O-CG 3.32Å; D60-K132 WeakPolarHBondContact O-CG 3.34Å; D60-K132 PolarHBondContact O-N 3.22Å; F104-K132 HydrophobicContact CD1-CG 4.11Å; F104-K132 HydrophobicContact CE1-CG 4.3Å; K105-K132 WeakPolarHBondContact CB-O 3.47Å
133	E	89.1	Confident	85.8	Confident	122 Å²	122	42.4 Å²	42.4	57%	0.57	23%	0.226	S	C	*	.	S	Bend	trans	-109.6	-20.9	-170.8	-60.6	-57.5	142.7	0	0	113.9	K105	K105-E133 WeakPolarHBondContact CD-O 3.24Å; K105-E133 PolarHBondContact NZ-O 3.36Å
134	I	80.7	Confident	85.3	Confident	33 Å²	33	42.5 Å²	42.5	17%	0.169	23%	0.227	C	C	.	.			trans	-105.6	140.5	-170.1	-56.7	175	0	0	0	109.6	A7 D8 L9 S106 L131	A7-I134 HydrophobicContact CB-CD1 4.43Å; A7-I134 HydrophobicContact CB-CG1 3.9Å; A7-I134 VanDerWaalsContact O-CD1 3.23Å; A7-I134 WeakPolarHBondContact O-CD1 3.05Å; A7-I134 VanDerWaalsContact O-CG1 3.31Å; A7-I134 WeakPolarHBondContact O-CG1 3.25Å; D8-I134 VanDerWaalsContact C-CD1 3.41Å; D8-I134 WeakPolarHBondContact O-CD1 3.41Å; L9-I134 HydrophobicContact CB-CD1 4.26Å; L9-I134 HydrophobicContact CD2-CD1 3.9Å; L9-I134 HydrophobicContact CG-CD1 3.67Å; S106-I134 PolarHBondContact OG-O 3.33Å; L131-I134 WeakPolarHBondContact CB-O 3.25Å; L131-I134 HydrophobicContact CD1-CB 4.38Å; L131-I134 HydrophobicContact CD1-CG2 4.44Å
135	D	82.9	Confident	85.1	Confident	63 Å²	63	46.5 Å²	46.5	34%	0.337	24%	0.243	S	C	.	.			trans	-94.4	99.4	168	-179.8	3.7	0	0	0	107.9	K105 S106 E137 A138	K105-D135 HydrophobicContact CD-CB 4.35Å; S106-D135 WeakPolarHBondContact OG-CA 3.42Å; D135-E137 PolarHBondContact O-N 2.91Å; D135-E137 PolarHBondContact OD1-N 3.26Å; D135-E137 VanDerWaalsContact OD1-N 3.08Å; D135-A138 HydrophobicContact CB-CB 3.94Å; D135-A138 VanDerWaalsContact O-CB 3.23Å; D135-A138 WeakPolarHBondContact O-CB 3.48Å; D135-A138 PolarHBondContact O-N 2.84Å; D135-A138 PolarHBondContact OD1-N 3.39Å
136	G	74.8	Confident	84.5	Confident	27 Å²	27	51.2 Å²	51.2	28%	0.278	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.7	-178.5	0	0	0	0	0	113.4	S106	S106-G136 PolarHBondContact OG-N 3.4Å
137	E	79.5	Confident	83.4	Confident	78 Å²	78	52.2 Å²	52.2	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.2	176.4	-61.9	172.3	174.9	0	0	111.3	K99 D135 Q139 I140	K99-E137 IonicContact NZ-OE1 2.71Å; D135-E137 PolarHBondContact O-N 2.91Å; D135-E137 PolarHBondContact OD1-N 3.26Å; D135-E137 VanDerWaalsContact OD1-N 3.08Å; E137-Q139 PolarHBondContact O-N 3.19Å; E137-I140 HydrophobicContact CB-CD1 4.36Å; E137-I140 HydrophobicContact CG-CD1 4.39Å; E137-I140 WeakPolarHBondContact O-CB 3.5Å; E137-I140 PolarHBondContact O-N 3.08Å
138	A	77.3	Confident	82.6	Confident	52 Å²	52	56.9 Å²	56.9	43%	0.43	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.2	-174.2	0	0	0	0	0	115.2	D135	D135-A138 HydrophobicContact CB-CB 3.94Å; D135-A138 VanDerWaalsContact O-CB 3.23Å; D135-A138 WeakPolarHBondContact O-CB 3.48Å; D135-A138 PolarHBondContact O-N 2.84Å; D135-A138 PolarHBondContact OD1-N 3.39Å
139	Q	71.3	Confident	81.9	Confident	80 Å²	80	60.8 Å²	60.8	37%	0.374	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.7	-179.8	-59	-60.4	-34.5	0	0	113	E137	E137-Q139 PolarHBondContact O-N 3.19Å
140	I	79.2	Confident	81	Confident	63 Å²	63	62.4 Å²	62.4	32%	0.323	34%	0.336	S	S	.	.			trans	-93.3	126.3	-178.7	-54.7	-178.6	0	0	0	108.3	E137 F145 I165	E137-I140 HydrophobicContact CB-CD1 4.36Å; E137-I140 HydrophobicContact CG-CD1 4.39Å; E137-I140 WeakPolarHBondContact O-CB 3.5Å; E137-I140 PolarHBondContact O-N 3.08Å; I140-F145 HydrophobicContact CG2-CD2 4.47Å; I140-F145 HydrophobicContact CG2-CE2 3.34Å; I140-F145 HydrophobicContact CG2-CZ 3.49Å; I140-F145 VanDerWaalsContact CG2-CZ 3.49Å; I140-I165 HydrophobicContact CD1-CD1 4.34Å; I140-I165 HydrophobicContact CG1-CD1 4.08Å; I140-I165 HydrophobicContact CG2-CD1 4.3Å
141	E	85.5	Confident	80.2	Confident	75 Å²	75	63.1 Å²	63.1	35%	0.35	34%	0.34	S	S	.	.			trans	-113.8	148.3	178.7	-62.2	171.9	-179.2	0	0	108.7	E143 N144 K258	E141-E143 WeakPolarHBondContact CB-OE2 3.27Å; E141-E143 PolarHBondContact O-N 3.48Å; E141-E143 VanDerWaalsContact O-N 3.08Å; E141-N144 PolarHBondContact N-OD1 3.34Å; E141-N144 VanDerWaalsContact O-CB 3.28Å; E141-N144 WeakPolarHBondContact O-CB 3.44Å; E141-N144 PolarHBondContact O-N 3.46Å; E141-N144 PolarHBondContact O-OD1 3.23Å; E141-K258 IonicContact OE1-NZ 3.4Å
142	P	87.1	Confident	80	Confident	94 Å²	94	67 Å²	67	61%	0.61	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-51.8	-34.5	179.2	-28.2	36	0	0	0	113.5	N144 F145	P142-N144 PolarHBondContact O-N 2.98Å; P142-F145 PolarHBondContact O-N 2.95Å
143	E	86.3	Confident	79.4	Confident	65 Å²	65	68.5 Å²	68.5	30%	0.304	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-69	-13.4	-179.5	-54.8	88.4	161.3	0	0	113.2	E141 F145 E146	E141-E143 WeakPolarHBondContact CB-OE2 3.27Å; E141-E143 PolarHBondContact O-N 3.48Å; E141-E143 VanDerWaalsContact O-N 3.08Å; E143-F145 PolarHBondContact O-N 3.32Å; E143-E146 PolarHBondContact O-N 3.04Å
144	N	79.5	Confident	78.9	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-67.5	-24.8	169.3	-59.4	136.8	0	0	0	112.1	E141 P142 S161 R163 I165 N172	E141-N144 PolarHBondContact N-OD1 3.34Å; E141-N144 VanDerWaalsContact O-CB 3.28Å; E141-N144 WeakPolarHBondContact O-CB 3.44Å; E141-N144 PolarHBondContact O-N 3.46Å; E141-N144 PolarHBondContact O-OD1 3.23Å; P142-N144 PolarHBondContact O-N 2.98Å; N144-S161 WeakPolarHBondContact O-CB 3.47Å; N144-S161 PolarHBondContact O-OG 3.11Å; N144-R163 WeakPolarHBondContact CA-O 3.39Å; N144-R163 PolarHBondContact ND2-O 3.3Å; N144-I165 HydrophobicContact CB-CD1 4.35Å; N144-I165 HydrophobicContact CB-CG1 3.79Å; N144-N172 PolarHBondContact O-ND2 2.94Å
145	F	85.8	Confident	79.1	Confident	88 Å²	88	71 Å²	71	39%	0.386	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-95.7	3.6	178.9	-54.8	-71.2	0	0	0	113.2	I140 P142 E143 N159 N172 I174	I140-F145 HydrophobicContact CG2-CD2 4.47Å; I140-F145 HydrophobicContact CG2-CE2 3.34Å; I140-F145 HydrophobicContact CG2-CZ 3.49Å; I140-F145 VanDerWaalsContact CG2-CZ 3.49Å; P142-F145 PolarHBondContact O-N 2.95Å; E143-F145 PolarHBondContact O-N 3.32Å; F145-N159 PolarHBondContact O-ND2 3.14Å; F145-N159 PolarHBondContact O-OD1 3.16Å; F145-N172 WeakPolarHBondContact CA-ND2 3.14Å; F145-I174 HydrophobicContact CB-CD1 4.22Å; F145-I174 WeakPolarHBondContact O-CD1 3.37Å
146	E	80.7	Confident	79.3	Confident	113 Å²	113	68.1 Å²	68.1	53%	0.528	38%	0.378	S	S	.	.			trans	-102.8	145.4	177	-64.7	-178.8	-178.6	0	0	111.5	E143 S162	E143-E146 PolarHBondContact O-N 3.04Å; E146-S162 PolarHBondContact O-N 3.47Å; E146-S162 PolarHBondContact O-OG 3.31Å
147	G	70.3	Confident	79.9	Confident	29 Å²	29	69 Å²	69	30%	0.299	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-147.3	172.3	0	0	0	0	0	113.8	T149 F160	G147-T149 PolarHBondContact O-N 3.2Å; G147-T149 VanDerWaalsContact O-N 3.15Å; G147-F160 CarbonylContact C-O 3.43Å; G147-F160 VanDerWaalsContact CA-O 3.23Å; G147-F160 WeakPolarHBondContact CA-O 3.42Å
148	I	71.8	Confident	80	Confident	124 Å²	124	65.3 Å²	65.3	64%	0.636	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.5	-174.1	-58.1	171.8	0	0	0	108.2	V150 N159 F160	I148-V150 PolarHBondContact O-N 2.94Å; I148-N159 CarbonylContact O-C 3.58Å; I148-N159 VanDerWaalsContact O-CA 3.22Å; I148-N159 WeakPolarHBondContact O-CA 3.47Å; I148-N159 WeakPolarHBondContact O-CB 3.4Å; I148-F160 PolarHBondContact N-O 3.25Å; I148-F160 PolarHBondContact O-N 3.23Å
149	T	77.3	Confident	79.7	Confident	82 Å²	82	63.1 Å²	63.1	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.3	176.5	-57.7	0	0	0	0	110.7	G147 L151 V157	G147-T149 PolarHBondContact O-N 3.2Å; G147-T149 VanDerWaalsContact O-N 3.15Å; T149-L151 WeakPolarHBondContact CG2-O 3.33Å; T149-V157 HydrophobicContact CG2-CG1 4.15Å
150	V	68.7	Low	79.7	Confident	37 Å²	37	60.3 Å²	60.3	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-37.3	176.7	-171.1	0	0	0	0	110.4	I148 I158 F160 A213 I214	I148-V150 PolarHBondContact O-N 2.94Å; V150-I158 PolarHBondContact N-O 2.93Å; V150-F160 HydrophobicContact CB-CE2 4.4Å; V150-F160 HydrophobicContact CG1-CE2 4.48Å; V150-F160 HydrophobicContact CG2-CD2 3.28Å; V150-F160 HydrophobicContact CG2-CE2 3.1Å; V150-F160 HydrophobicContact CG2-CG 4.26Å; V150-F160 HydrophobicContact CG2-CZ 3.95Å; V150-A213 HydrophobicContact CG1-CB 3.82Å; V150-I214 HydrophobicContact CG1-CG1 4.34Å
151	L	75.2	Confident	79.3	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.5	179.7	-178.1	141.3	0	0	0	109.5	T149 E153 V157 I158 Y189 E210	T149-L151 WeakPolarHBondContact CG2-O 3.33Å; L151-E153 HydrophobicContact CD2-CB 4.27Å; L151-E153 HydrophobicContact CG-CB 4.46Å; L151-V157 CarbonylContact O-C 3.58Å; L151-V157 WeakPolarHBondContact O-CA 3.46Å; L151-I158 HydrophobicContact CB-CB 4.07Å; L151-I158 HydrophobicContact CB-CD1 4.45Å; L151-I158 HydrophobicContact CB-CG1 4.33Å; L151-I158 HydrophobicContact CD2-CD1 4.44Å; L151-I158 HydrophobicContact CD2-CG1 4.31Å; L151-I158 PolarHBondContact N-O 2.96Å; L151-I158 PolarHBondContact O-N 3.3Å; L151-Y189 HydrophobicContact CD1-CE1 3.82Å; L151-Y189 HydrophobicContact CD2-CE1 3.79Å; L151-Y189 HydrophobicContact CG-CE1 4.48Å; L151-E210 HydrophobicContact CD1-CG 3.62Å; L151-E210 WeakPolarHBondContact CD1-OE1 3.43Å
152	S	84.1	Confident	78.6	Confident	84 Å²	84	58.3 Å²	58.3	59%	0.587	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	74.7	173.7	174.8	0	0	0	0	109	V156	S152-V156 WeakPolarHBondContact CA-O 3.45Å
153	E	80.1	Confident	77.9	Confident	113 Å²	113	59.7 Å²	59.7	53%	0.528	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.9	-175.5	-62.4	-169.9	-170.8	0	0	110.4	L151 N155 V156	L151-E153 HydrophobicContact CD2-CB 4.27Å; L151-E153 HydrophobicContact CG-CB 4.46Å; E153-N155 PolarHBondContact O-N 3.17Å; E153-N155 VanDerWaalsContact O-N 3.07Å; E153-V156 PolarHBondContact N-O 2.95Å; E153-V156 VanDerWaalsContact N-O 3.08Å; E153-V156 PolarHBondContact O-N 3.15Å; E153-V156 VanDerWaalsContact O-O 3.06Å
154	N	78.9	Confident	76.7	Confident	104 Å²	104	57.9 Å²	57.9	56%	0.556	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.9	175.1	-60.6	-44.3	0	0	0	115.4	V156 R185	N154-V156 PolarHBondContact O-N 3.37Å; N154-R185 WeakPolarHBondContact O-CD 3.13Å; N154-R185 PolarHBondContact O-NE 3.07Å
155	N	85.5	Confident	76	Confident	104 Å²	104	60.7 Å²	60.7	56%	0.556	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	25.3	-173.1	-51.9	-57.5	0	0	0	114.2	E153 I179	E153-N155 PolarHBondContact O-N 3.17Å; E153-N155 VanDerWaalsContact O-N 3.07Å; N155-I179 HydrophobicContact CB-CD1 3.49Å; N155-I179 VanDerWaalsContact CB-CD1 3.49Å; N155-I179 HydrophobicContact CB-CG2 4.44Å
156	V	86.9	Confident	74.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.8	171.4	-179.9	0	0	0	0	108.6	S152 E153 N154 I158 I173 I174 V175 R185 Y189	S152-V156 WeakPolarHBondContact CA-O 3.45Å; E153-V156 PolarHBondContact N-O 2.95Å; E153-V156 VanDerWaalsContact N-O 3.08Å; E153-V156 PolarHBondContact O-N 3.15Å; E153-V156 VanDerWaalsContact O-O 3.06Å; N154-V156 PolarHBondContact O-N 3.37Å; V156-I158 HydrophobicContact CG1-CG1 4.21Å; V156-I173 HydrophobicContact CG1-CG2 3.93Å; V156-I174 CarbonylContact C-O 3.48Å; V156-I174 WeakPolarHBondContact CA-O 3.38Å; V156-V175 HydrophobicContact CG2-CG1 3.98Å; V156-V175 HydrophobicContact CG2-CG2 4.11Å; V156-R185 HydrophobicContact CG2-CB 3.77Å; V156-Y189 HydrophobicContact CB-CD2 3.9Å; V156-Y189 HydrophobicContact CB-CE2 3.83Å; V156-Y189 HydrophobicContact CG1-CD1 4.42Å; V156-Y189 HydrophobicContact CG1-CD2 3.72Å; V156-Y189 HydrophobicContact CG1-CE2 4.1Å; V156-Y189 HydrophobicContact CG1-CG 3.87Å; V156-Y189 HydrophobicContact CG2-CD2 3.61Å; V156-Y189 HydrophobicContact CG2-CE2 3.69Å
157	V	85.8	Confident	73.1	Confident	45 Å²	45	56.3 Å²	56.3	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.7	171.6	179.5	0	0	0	0	108.1	T149 L151 I174	T149-V157 HydrophobicContact CG2-CG1 4.15Å; L151-V157 CarbonylContact O-C 3.58Å; L151-V157 WeakPolarHBondContact O-CA 3.46Å; V157-I174 HydrophobicContact CB-CB 4.35Å; V157-I174 PolarHBondContact N-O 3.24Å; V157-I174 PolarHBondContact O-N 3.48Å
158	I	82.1	Confident	72.5	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.8	168.5	-55.8	-179	0	0	0	108	V150 L151 V156 I171 N172 I173 Y189 I214	V150-I158 PolarHBondContact N-O 2.93Å; L151-I158 HydrophobicContact CB-CB 4.07Å; L151-I158 HydrophobicContact CB-CD1 4.45Å; L151-I158 HydrophobicContact CB-CG1 4.33Å; L151-I158 HydrophobicContact CD2-CD1 4.44Å; L151-I158 HydrophobicContact CD2-CG1 4.31Å; L151-I158 PolarHBondContact N-O 2.96Å; L151-I158 PolarHBondContact O-N 3.3Å; V156-I158 HydrophobicContact CG1-CG1 4.21Å; I158-I171 HydrophobicContact CG2-CG2 3.64Å; I158-N172 VanDerWaalsContact CA-O 3.24Å; I158-N172 WeakPolarHBondContact CA-O 3.23Å; I158-I173 HydrophobicContact CD1-CG1 4.49Å; I158-I173 HydrophobicContact CG1-CG1 4.24Å; I158-I173 HydrophobicContact CG1-CG2 4.35Å; I158-Y189 HydrophobicContact CD1-CD1 3.57Å; I158-Y189 HydrophobicContact CD1-CE1 4.24Å; I158-Y189 HydrophobicContact CD1-CG 4.28Å; I158-I214 HydrophobicContact CD1-CD1 4.43Å
159	N	71.6	Confident	72.2	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.032	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.7	175.3	73.2	68.1	0	0	0	112	F145 I148 I171 N172	F145-N159 PolarHBondContact O-ND2 3.14Å; F145-N159 PolarHBondContact O-OD1 3.16Å; I148-N159 CarbonylContact O-C 3.58Å; I148-N159 VanDerWaalsContact O-CA 3.22Å; I148-N159 WeakPolarHBondContact O-CA 3.47Å; I148-N159 WeakPolarHBondContact O-CB 3.4Å; N159-I171 WeakPolarHBondContact O-CA 3.48Å; N159-N172 PolarHBondContact N-O 3.31Å; N159-N172 PolarHBondContact O-N 3.44Å; N159-N172 PolarHBondContact OD1-ND2 3.37Å
160	F	70.6	Confident	71.8	Confident	21 Å²	21	53.3 Å²	53.3	9%	0.092	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.1	164.1	-64.2	-68.4	0	0	0	109.1	G147 I148 V150 S162 L169 E170 I171 H217	G147-F160 CarbonylContact C-O 3.43Å; G147-F160 VanDerWaalsContact CA-O 3.23Å; G147-F160 WeakPolarHBondContact CA-O 3.42Å; I148-F160 PolarHBondContact N-O 3.25Å; I148-F160 PolarHBondContact O-N 3.23Å; V150-F160 HydrophobicContact CB-CE2 4.4Å; V150-F160 HydrophobicContact CG1-CE2 4.48Å; V150-F160 HydrophobicContact CG2-CD2 3.28Å; V150-F160 HydrophobicContact CG2-CE2 3.1Å; V150-F160 HydrophobicContact CG2-CG 4.26Å; V150-F160 HydrophobicContact CG2-CZ 3.95Å; F160-S162 PolarHBondContact O-N 3.14Å; F160-L169 HydrophobicContact CD1-CD1 3.3Å; F160-L169 HydrophobicContact CD1-CG 4.09Å; F160-L169 HydrophobicContact CE1-CD1 3.7Å; F160-L169 HydrophobicContact CE1-CD2 4.21Å; F160-L169 HydrophobicContact CE1-CG 4.23Å; F160-L169 HydrophobicContact CG-CD1 4.13Å; F160-E170 WeakPolarHBondContact CA-O 3.46Å; F160-I171 HydrophobicContact CD1-CD1 4.38Å; F160-I171 HydrophobicContact CD1-CG1 3.58Å; F160-I171 HydrophobicContact CE1-CD1 3.75Å; F160-I171 HydrophobicContact CE1-CG1 3.44Å; F160-I171 VanDerWaalsContact CE1-CG1 3.44Å; F160-H217 HydrophobicContact CE1-CB 4.22Å; F160-H217 HydrophobicContact CE2-CB 3.59Å; F160-H217 AromaticContact CE2-CD2 3.45Å; F160-H217 VanDerWaalsContact CE2-CD2 3.45Å; F160-H217 WeakPolarHBondContact CE2-CD2 3.45Å; F160-H217 AromaticContact CE2-CG 3.54Å; F160-H217 HydrophobicContact CZ-CB 3.28Å; F160-H217 AromaticContact CZ-CG 3.82Å
161	S	72.3	Confident	72.3	Confident	17 Å²	17	53.6 Å²	53.6	12%	0.119	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	126.7	-179.2	-172.9	0	0	0	0	111	N144 R163 E170	N144-S161 WeakPolarHBondContact O-CB 3.47Å; N144-S161 PolarHBondContact O-OG 3.11Å; S161-R163 PolarHBondContact OG-N 2.7Å; S161-R163 VanDerWaalsContact OG-N 3.15Å; S161-R163 PolarHBondContact OG-O 3.24Å; S161-E170 PolarHBondContact N-O 3.23Å
162	S	69.3	Low	72.9	Confident	78 Å²	78	53.6 Å²	53.6	55%	0.545	28%	0.284	S	S	.	.	S	Bend	trans	-79.6	-12.3	169.8	64	0	0	0	0	112.3	E146 F160	E146-S162 PolarHBondContact O-N 3.47Å; E146-S162 PolarHBondContact O-OG 3.31Å; F160-S162 PolarHBondContact O-N 3.14Å
163	R	73.1	Confident	73.2	Confident	123 Å²	123	51.4 Å²	51.4	46%	0.464	27%	0.265	S	S	.	.	S	Bend	trans	-138.4	66.6	179	-60.9	-173.5	-174.4	174	4.6	109.9	N144 S161	N144-R163 WeakPolarHBondContact CA-O 3.39Å; N144-R163 PolarHBondContact ND2-O 3.3Å; S161-R163 PolarHBondContact OG-N 2.7Å; S161-R163 VanDerWaalsContact OG-N 3.15Å; S161-R163 PolarHBondContact OG-O 3.24Å
164	P	61	Low	73.7	Confident	28 Å²	28	49.3 Å²	49.3	18%	0.182	26%	0.257	C	S	.	.			trans	-59	142.8	-178.5	25	-35.5	0	0	0	111.6	F168 E170	P164-F168 WeakPolarHBondContact CB-O 3.38Å; P164-F168 WeakPolarHBondContact CG-O 3.38Å; P164-E170 VanDerWaalsContact CA-CD 3.47Å; P164-E170 WeakPolarHBondContact CA-OE2 3.45Å; P164-E170 HydrophobicContact CB-CB 4.12Å; P164-E170 HydrophobicContact CB-CG 3.78Å; P164-E170 WeakPolarHBondContact CB-OE1 3.16Å
165	I	64.6	Low	74.3	Confident	61 Å²	61	45.8 Å²	45.8	31%	0.313	24%	0.239	S	C	.	.	S	Bend	trans	-61	-46.7	177.1	-60.3	170.2	0	0	0	109.9	I140 N144 E170	I140-I165 HydrophobicContact CD1-CD1 4.34Å; I140-I165 HydrophobicContact CG1-CD1 4.08Å; I140-I165 HydrophobicContact CG2-CD1 4.3Å; N144-I165 HydrophobicContact CB-CD1 4.35Å; N144-I165 HydrophobicContact CB-CG1 3.79Å; I165-E170 PolarHBondContact N-OE1 3.16Å; I165-E170 PolarHBondContact N-OE2 3.24Å
166	M	58.7	Low	74.5	Confident	101 Å²	101	44.6 Å²	44.6	50%	0.498	23%	0.233	S	C	.	.	S	Bend	trans	-100.4	-0.4	-174.8	-66.6	-61.1	-67.1	0	0	113.6	F168 E170 S265	M166-F168 HydrophobicContact CB-CD2 3.99Å; M166-F168 HydrophobicContact CB-CE2 4.49Å; M166-F168 VanDerWaalsContact O-CD2 3.23Å; M166-F168 WeakPolarHBondContact O-CD2 3.33Å; M166-F168 WeakPolarHBondContact O-CE2 3.15Å; M166-E170 PolarHBondContact N-OE1 2.7Å; M166-S265 WeakPolarHBondContact O-CB 3.38Å; M166-S265 PolarHBondContact O-OG 2.74Å
167	G	46.8	Very low	74.4	Confident	8 Å²	8	49.5 Å²	49.5	8%	0.082	27%	0.267	C	S	.	.	S	Bend	trans	83.3	7.4	177	0	0	0	0	0	115.6
168	F	58.5	Low	74.5	Confident	67 Å²	67	55.5 Å²	55.5	29%	0.294	29%	0.292	S	S	.	.	S	Bend	trans	-106.1	-176.2	179	-63	-83.2	0	0	0	111.6	P164 M166 E170 Y269	P164-F168 WeakPolarHBondContact CB-O 3.38Å; P164-F168 WeakPolarHBondContact CG-O 3.38Å; M166-F168 HydrophobicContact CB-CD2 3.99Å; M166-F168 HydrophobicContact CB-CE2 4.49Å; M166-F168 VanDerWaalsContact O-CD2 3.23Å; M166-F168 WeakPolarHBondContact O-CD2 3.33Å; M166-F168 WeakPolarHBondContact O-CE2 3.15Å; F168-E170 PolarHBondContact O-N 3.47Å; F168-E170 VanDerWaalsContact O-N 3.15Å; F168-Y269 AromaticContact CD1-CD2 3.98Å; F168-Y269 HydrophobicContact CD1-CD2 3.98Å; F168-Y269 AromaticContact CD1-CG 3.96Å; F168-Y269 HydrophobicContact CD1-CG 3.96Å; F168-Y269 AromaticContact CE1-CD2 3.94Å; F168-Y269 HydrophobicContact CE1-CD2 3.94Å; F168-Y269 AromaticContact CE1-CG 3.91Å; F168-Y269 HydrophobicContact CE1-CG 3.91Å
169	L	65.1	Low	74.8	Confident	69 Å²	69	57.1 Å²	57.1	36%	0.361	30%	0.3	S	S	.	.			trans	-60.9	114	165.5	-173.8	69.3	0	0	0	109	F160 F218 S221	F160-L169 HydrophobicContact CD1-CD1 3.3Å; F160-L169 HydrophobicContact CD1-CG 4.09Å; F160-L169 HydrophobicContact CE1-CD1 3.7Å; F160-L169 HydrophobicContact CE1-CD2 4.21Å; F160-L169 HydrophobicContact CE1-CG 4.23Å; F160-L169 HydrophobicContact CG-CD1 4.13Å; L169-F218 HydrophobicContact CD2-CE1 4.44Å; L169-S221 WeakPolarHBondContact CD2-OG 3.22Å
170	E	69.4	Low	75.5	Confident	37 Å²	37	61.5 Å²	61.5	17%	0.173	33%	0.331	C	S	.	.			trans	-117.7	125.2	173.1	-72.7	176.1	-161.6	0	0	108.4	F160 S161 P164 I165 M166 F168	F160-E170 WeakPolarHBondContact CA-O 3.46Å; S161-E170 PolarHBondContact N-O 3.23Å; P164-E170 VanDerWaalsContact CA-CD 3.47Å; P164-E170 WeakPolarHBondContact CA-OE2 3.45Å; P164-E170 HydrophobicContact CB-CB 4.12Å; P164-E170 HydrophobicContact CB-CG 3.78Å; P164-E170 WeakPolarHBondContact CB-OE1 3.16Å; I165-E170 PolarHBondContact N-OE1 3.16Å; I165-E170 PolarHBondContact N-OE2 3.24Å; M166-E170 PolarHBondContact N-OE1 2.7Å; F168-E170 PolarHBondContact O-N 3.47Å; F168-E170 VanDerWaalsContact O-N 3.15Å
171	I	79.2	Confident	76.5	Confident	43 Å²	43	65.5 Å²	65.5	22%	0.221	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.3	178	-62.4	164.8	0	0	0	107.6	I158 N159 F160 I173 T193 F218	I158-I171 HydrophobicContact CG2-CG2 3.64Å; N159-I171 WeakPolarHBondContact O-CA 3.48Å; F160-I171 HydrophobicContact CD1-CD1 4.38Å; F160-I171 HydrophobicContact CD1-CG1 3.58Å; F160-I171 HydrophobicContact CE1-CD1 3.75Å; F160-I171 HydrophobicContact CE1-CG1 3.44Å; F160-I171 VanDerWaalsContact CE1-CG1 3.44Å; I171-I173 HydrophobicContact CG2-CG1 4.38Å; I171-T193 HydrophobicContact CD1-CG2 4.13Å; I171-T193 HydrophobicContact CG2-CG2 4.04Å; I171-F218 HydrophobicContact CD1-CE1 3.86Å; I171-F218 HydrophobicContact CD1-CE2 3.44Å; I171-F218 VanDerWaalsContact CD1-CE2 3.44Å; I171-F218 HydrophobicContact CD1-CZ 3Å; I171-F218 HydrophobicContact CG1-CZ 4.49Å
172	N	86.5	Confident	77.4	Confident	14 Å²	14	65.4 Å²	65.4	8%	0.075	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.4	176.9	-59.4	-51.2	0	0	0	108.3	N144 F145 I158 N159 I174	N144-N172 PolarHBondContact O-ND2 2.94Å; F145-N172 WeakPolarHBondContact CA-ND2 3.14Å; I158-N172 VanDerWaalsContact CA-O 3.24Å; I158-N172 WeakPolarHBondContact CA-O 3.23Å; N159-N172 PolarHBondContact N-O 3.31Å; N159-N172 PolarHBondContact O-N 3.44Å; N159-N172 PolarHBondContact OD1-ND2 3.37Å; N172-I174 HydrophobicContact CB-CD1 4.24Å; N172-I174 HydrophobicContact CB-CG1 4.24Å
173	I	90.4	Very high	78.5	Confident	38 Å²	38	63.6 Å²	63.6	20%	0.195	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.1	170	-54.2	175.5	0	0	0	106.6	V156 I158 I171 L186 V190 T193	V156-I173 HydrophobicContact CG1-CG2 3.93Å; I158-I173 HydrophobicContact CD1-CG1 4.49Å; I158-I173 HydrophobicContact CG1-CG1 4.24Å; I158-I173 HydrophobicContact CG1-CG2 4.35Å; I171-I173 HydrophobicContact CG2-CG1 4.38Å; I173-L186 HydrophobicContact CB-CD1 4.28Å; I173-L186 HydrophobicContact CG2-CD1 3.86Å; I173-V190 HydrophobicContact CD1-CB 4.35Å; I173-V190 HydrophobicContact CD1-CG2 3.81Å; I173-T193 HydrophobicContact CD1-CG2 4.27Å; I173-T193 WeakPolarHBondContact CD1-OG1 3.24Å
174	I	91.3	Very high	79.6	Confident	69 Å²	69	61.6 Å²	61.6	35%	0.354	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.9	-170	-56.5	170.3	0	0	0	108.6	F145 V156 V157 N172	F145-I174 HydrophobicContact CB-CD1 4.22Å; F145-I174 WeakPolarHBondContact O-CD1 3.37Å; V156-I174 CarbonylContact C-O 3.48Å; V156-I174 WeakPolarHBondContact CA-O 3.38Å; V157-I174 HydrophobicContact CB-CB 4.35Å; V157-I174 PolarHBondContact N-O 3.24Å; V157-I174 PolarHBondContact O-N 3.48Å; N172-I174 HydrophobicContact CB-CD1 4.24Å; N172-I174 HydrophobicContact CB-CG1 4.24Å
175	V	92.1	Very high	81.1	Confident	30 Å²	30	63.2 Å²	63.2	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.1	178.9	-155.4	0	0	0	0	108.6	V156 S177 I179 A182 R185 L186	V156-V175 HydrophobicContact CG2-CG1 3.98Å; V156-V175 HydrophobicContact CG2-CG2 4.11Å; V175-S177 PolarHBondContact O-N 3.18Å; V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-A182 HydrophobicContact CG1-CB 4.19Å; V175-R185 HydrophobicContact CG1-CB 4.27Å; V175-L186 HydrophobicContact CG2-CB 3.8Å; V175-L186 HydrophobicContact CG2-CD1 3.9Å; V175-L186 HydrophobicContact CG2-CG 4.39Å
176	D	88.4	Confident	82.4	Confident	79 Å²	79	61.8 Å²	61.8	42%	0.422	32%	0.323	S	S	.	.			trans	-71.1	114	173.3	-179.4	-2.9	0	0	0	109.9	Q178 I179 A182	D176-Q178 PolarHBondContact O-N 2.92Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.4Å; D176-Q178 WeakPolarHBondContact OD1-CG 3.08Å; D176-Q178 PolarHBondContact OD1-N 3.07Å; D176-I179 HydrophobicContact CB-CG2 4.06Å; D176-I179 VanDerWaalsContact O-CG1 3.28Å; D176-I179 WeakPolarHBondContact O-CG1 3.41Å; D176-I179 PolarHBondContact O-N 3.4Å; D176-A182 WeakPolarHBondContact O-CB 3.5Å
177	S	86.6	Confident	84.1	Confident	103 Å²	103	57 Å²	57	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	178.8	63.7	0	0	0	0	115.1	V175	V175-S177 PolarHBondContact O-N 3.18Å
178	Q	87	Confident	86.3	Confident	172 Å²	172	57.9 Å²	57.9	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.6	-178.3	-59.2	-175.9	14.2	0	0	113.4	D176	D176-Q178 PolarHBondContact O-N 2.92Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.4Å; D176-Q178 WeakPolarHBondContact OD1-CG 3.08Å; D176-Q178 PolarHBondContact OD1-N 3.07Å
179	I	87.4	Confident	87.8	Confident	35 Å²	35	55.2 Å²	55.2	18%	0.179	29%	0.29	C	S	.	.	S	Bend	trans	-77.2	144.7	-179.9	76.4	-170.7	0	0	0	110.6	N155 V175 D176 E181 A182	N155-I179 HydrophobicContact CB-CD1 3.49Å; N155-I179 VanDerWaalsContact CB-CD1 3.49Å; N155-I179 HydrophobicContact CB-CG2 4.44Å; V175-I179 HydrophobicContact CG1-CD1 3.81Å; D176-I179 HydrophobicContact CB-CG2 4.06Å; D176-I179 VanDerWaalsContact O-CG1 3.28Å; D176-I179 WeakPolarHBondContact O-CG1 3.41Å; D176-I179 PolarHBondContact O-N 3.4Å; I179-E181 PolarHBondContact O-N 3.45Å; I179-A182 HydrophobicContact CD1-CB 4.35Å; I179-A182 HydrophobicContact CG1-CB 3.7Å; I179-A182 PolarHBondContact O-N 3.22Å
180	S	87.8	Confident	89	Confident	98 Å²	98	53.5 Å²	53.5	69%	0.685	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133.7	170.1	-173.4	0	0	0	0	109.6	A182 R185	S180-A182 VanDerWaalsContact C-N 3.28Å; S180-A182 PolarHBondContact O-N 3.08Å; S180-R185 PolarHBondContact O-NH1 3.17Å
181	E	90.7	Very high	90.1	Very high	106 Å²	106	52.1 Å²	52.1	50%	0.495	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	25.3	179.5	-53.7	-179.5	163.7	0	0	114.7	I179 I183 Y184 R185	I179-E181 PolarHBondContact O-N 3.45Å; E181-I183 PolarHBondContact O-N 3.17Å; E181-Y184 HydrophobicContact CB-CD2 3.64Å; E181-Y184 HydrophobicContact CB-CE2 4.33Å; E181-Y184 HydrophobicContact CB-CG 4.18Å; E181-Y184 HydrophobicContact CG-CD2 3.65Å; E181-Y184 HydrophobicContact CG-CE2 3.9Å; E181-Y184 PolarHBondContact O-N 3.49Å; E181-R185 PolarHBondContact O-N 3Å; E181-R185 VanDerWaalsContact O-N 3.15Å; E181-R185 PolarHBondContact O-NH1 3.49Å
182	A	91.7	Very high	90.4	Very high	15 Å²	15	52 Å²	52	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-49.5	-43.8	173.3	0	0	0	0	0	112.2	V175 D176 I179 S180 Y184 R185 L186	V175-A182 HydrophobicContact CG1-CB 4.19Å; D176-A182 WeakPolarHBondContact O-CB 3.5Å; I179-A182 HydrophobicContact CD1-CB 4.35Å; I179-A182 HydrophobicContact CG1-CB 3.7Å; I179-A182 PolarHBondContact O-N 3.22Å; S180-A182 VanDerWaalsContact C-N 3.28Å; S180-A182 PolarHBondContact O-N 3.08Å; A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.2Å; A182-R185 PolarHBondContact O-N 3.02Å; A182-L186 PolarHBondContact O-N 3.46Å
183	I	92.9	Very high	90.2	Very high	40 Å²	40	51.8 Å²	51.8	21%	0.205	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-33.3	-179.5	-171.5	57.5	0	0	0	112.8	F88 F92 E181 L186 A187	F88-I183 HydrophobicContact CB-CD1 3.97Å; F88-I183 HydrophobicContact CB-CG1 4.13Å; F88-I183 HydrophobicContact CD1-CD1 4.12Å; F92-I183 HydrophobicContact CB-CD1 4.1Å; F92-I183 HydrophobicContact CD1-CD1 3.96Å; F92-I183 HydrophobicContact CD2-CD1 3.4Å; F92-I183 HydrophobicContact CE1-CD1 4.23Å; F92-I183 HydrophobicContact CE2-CD1 3.68Å; F92-I183 HydrophobicContact CG-CD1 3.53Å; F92-I183 HydrophobicContact CZ-CD1 4.1Å; E181-I183 PolarHBondContact O-N 3.17Å; I183-L186 HydrophobicContact CD1-CD2 4.37Å; I183-L186 PolarHBondContact O-N 2.98Å; I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.46Å
184	Y	95	Very high	89.9	Confident	80 Å²	80	51.3 Å²	51.3	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-42.4	177.3	-60.6	-16.6	0	0	0	110.7	R85 E181 A182 L186 A187 D188	R85-Y184 HydrophobicContact CB-CD1 3.94Å; R85-Y184 HydrophobicContact CB-CE1 4.36Å; R85-Y184 HydrophobicContact CG-CD1 4.05Å; R85-Y184 HydrophobicContact CG-CG 4.2Å; E181-Y184 HydrophobicContact CB-CD2 3.64Å; E181-Y184 HydrophobicContact CB-CE2 4.33Å; E181-Y184 HydrophobicContact CB-CG 4.18Å; E181-Y184 HydrophobicContact CG-CD2 3.65Å; E181-Y184 HydrophobicContact CG-CE2 3.9Å; E181-Y184 PolarHBondContact O-N 3.49Å; A182-Y184 VanDerWaalsContact C-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.2Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 2.66Å; Y184-A187 WeakPolarHBondContact O-CB 3.17Å; Y184-A187 PolarHBondContact O-N 2.75Å; Y184-D188 WeakPolarHBondContact O-CB 3.25Å; Y184-D188 PolarHBondContact O-N 3.48Å
185	R	92	Very high	89.3	Confident	63 Å²	63	48 Å²	48	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-44.1	173.7	-64.7	-171.8	-173.3	74.3	3.8	111.5	N154 V156 V175 S180 E181 A182 A187 D188 Y189	N154-R185 WeakPolarHBondContact O-CD 3.13Å; N154-R185 PolarHBondContact O-NE 3.07Å; V156-R185 HydrophobicContact CG2-CB 3.77Å; V175-R185 HydrophobicContact CG1-CB 4.27Å; S180-R185 PolarHBondContact O-NH1 3.17Å; E181-R185 PolarHBondContact O-N 3Å; E181-R185 VanDerWaalsContact O-N 3.15Å; E181-R185 PolarHBondContact O-NH1 3.49Å; A182-R185 PolarHBondContact O-N 3.02Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.78Å; R185-D188 PolarHBondContact O-N 2.94Å; R185-Y189 WeakPolarHBondContact O-CD2 3.33Å; R185-Y189 PolarHBondContact O-N 2.94Å
186	L	93	Very high	88.1	Confident	31 Å²	31	47 Å²	47	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-47.8	175.3	-177.4	61.4	0	0	0	111	F88 F92 I173 V175 A182 I183 Y184 D188 Y189 V190	F88-L186 HydrophobicContact CD1-CG 4.44Å; F88-L186 HydrophobicContact CE1-CG 4.24Å; F92-L186 HydrophobicContact CE1-CD2 4.24Å; F92-L186 HydrophobicContact CE2-CD2 4Å; F92-L186 HydrophobicContact CZ-CD2 3.47Å; F92-L186 VanDerWaalsContact CZ-CD2 3.47Å; I173-L186 HydrophobicContact CB-CD1 4.28Å; I173-L186 HydrophobicContact CG2-CD1 3.86Å; V175-L186 HydrophobicContact CG2-CB 3.8Å; V175-L186 HydrophobicContact CG2-CD1 3.9Å; V175-L186 HydrophobicContact CG2-CG 4.39Å; A182-L186 PolarHBondContact O-N 3.46Å; I183-L186 HydrophobicContact CD1-CD2 4.37Å; I183-L186 PolarHBondContact O-N 2.98Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 2.66Å; L186-D188 PolarHBondContact O-N 3.04Å; L186-Y189 PolarHBondContact O-N 2.61Å; L186-V190 HydrophobicContact CD1-CG2 3.92Å; L186-V190 HydrophobicContact CG-CG2 4.25Å; L186-V190 WeakPolarHBondContact O-CB 3.46Å; L186-V190 WeakPolarHBondContact O-CG2 3.22Å; L186-V190 PolarHBondContact O-N 2.84Å
187	A	94.6	Very high	87.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-51.1	178	0	0	0	0	0	111.3	N84 R85 F88 I183 Y184 R185 V190 Q191	N84-A187 PolarHBondContact ND2-O 3.47Å; R85-A187 HydrophobicContact CG-CB 4.15Å; F88-A187 HydrophobicContact CB-CB 3.63Å; F88-A187 HydrophobicContact CD1-CB 4.01Å; F88-A187 HydrophobicContact CD2-CB 3.6Å; F88-A187 HydrophobicContact CE2-CB 4.26Å; F88-A187 HydrophobicContact CG-CB 3.45Å; F88-A187 VanDerWaalsContact CG-CB 3.45Å; I183-A187 WeakPolarHBondContact O-CB 3.4Å; I183-A187 PolarHBondContact O-N 3.46Å; Y184-A187 WeakPolarHBondContact O-CB 3.17Å; Y184-A187 PolarHBondContact O-N 2.75Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.78Å; A187-V190 PolarHBondContact O-N 3Å; A187-Q191 WeakPolarHBondContact O-CB 2.94Å; A187-Q191 PolarHBondContact O-N 3.07Å
188	D	92.7	Very high	86.4	Confident	26 Å²	26	44.2 Å²	44.2	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-48.2	-178.1	-61.3	-11.6	0	0	0	111.4	R85 Y184 R185 L186 Q191 K192	R85-D188 IonicContact CZ-OD1 2.65Å; R85-D188 IonicContact CZ-OD2 2.95Å; R85-D188 IonicContact NE-OD1 2.86Å; R85-D188 PolarHBondContact NE-OD1 3.38Å; R85-D188 IonicContact NE-OD2 3.65Å; R85-D188 PolarHBondContact NE-OD2 3.3Å; R85-D188 IonicContact NH2-OD1 3.23Å; R85-D188 IonicContact NH2-OD2 3.9Å; R85-D188 PolarHBondContact NH2-OD2 3.06Å; Y184-D188 WeakPolarHBondContact O-CB 3.25Å; Y184-D188 PolarHBondContact O-N 3.48Å; R185-D188 PolarHBondContact O-N 2.94Å; L186-D188 PolarHBondContact O-N 3.04Å; D188-Q191 PolarHBondContact O-N 3.36Å; D188-K192 WeakPolarHBondContact O-CB 2.99Å; D188-K192 VanDerWaalsContact O-CG 3.27Å; D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 3.16Å
189	Y	90.2	Very high	85.3	Confident	11 Å²	11	42.6 Å²	42.6	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-30.9	-179.3	-83	-76.4	0	0	0	113.2	L151 V156 I158 R185 L186 K192 T193 E210	L151-Y189 HydrophobicContact CD1-CE1 3.82Å; L151-Y189 HydrophobicContact CD2-CE1 3.79Å; L151-Y189 HydrophobicContact CG-CE1 4.48Å; V156-Y189 HydrophobicContact CB-CD2 3.9Å; V156-Y189 HydrophobicContact CB-CE2 3.83Å; V156-Y189 HydrophobicContact CG1-CD1 4.42Å; V156-Y189 HydrophobicContact CG1-CD2 3.72Å; V156-Y189 HydrophobicContact CG1-CE2 4.1Å; V156-Y189 HydrophobicContact CG1-CG 3.87Å; V156-Y189 HydrophobicContact CG2-CD2 3.61Å; V156-Y189 HydrophobicContact CG2-CE2 3.69Å; I158-Y189 HydrophobicContact CD1-CD1 3.57Å; I158-Y189 HydrophobicContact CD1-CE1 4.24Å; I158-Y189 HydrophobicContact CD1-CG 4.28Å; R185-Y189 WeakPolarHBondContact O-CD2 3.33Å; R185-Y189 PolarHBondContact O-N 2.94Å; L186-Y189 PolarHBondContact O-N 2.61Å; Y189-K192 HydrophobicContact CD1-CD 4.23Å; Y189-K192 HydrophobicContact CE1-CD 4.43Å; Y189-T193 VanDerWaalsContact O-CB 3.3Å; Y189-T193 WeakPolarHBondContact O-CB 3.37Å; Y189-T193 PolarHBondContact O-N 3.11Å; Y189-T193 PolarHBondContact O-OG1 2.93Å; Y189-E210 WeakPolarHBondContact CE1-OE1 3.31Å; Y189-E210 PolarHBondContact OH-OE1 2.9Å; Y189-E210 VanDerWaalsContact OH-OE1 3.1Å
190	V	91	Very high	83.9	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.2	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-45.4	169.2	172.7	0	0	0	0	109.7	F88 I173 L186 A187 T193 Y194	F88-V190 HydrophobicContact CE1-CB 4.22Å; F88-V190 HydrophobicContact CE1-CG1 4.49Å; F88-V190 HydrophobicContact CE1-CG2 4.02Å; F88-V190 HydrophobicContact CE2-CB 4.47Å; F88-V190 HydrophobicContact CE2-CG1 4.4Å; F88-V190 HydrophobicContact CZ-CB 3.65Å; F88-V190 HydrophobicContact CZ-CG1 3.62Å; F88-V190 HydrophobicContact CZ-CG2 3.94Å; I173-V190 HydrophobicContact CD1-CB 4.35Å; I173-V190 HydrophobicContact CD1-CG2 3.81Å; L186-V190 HydrophobicContact CD1-CG2 3.92Å; L186-V190 HydrophobicContact CG-CG2 4.25Å; L186-V190 WeakPolarHBondContact O-CB 3.46Å; L186-V190 WeakPolarHBondContact O-CG2 3.22Å; L186-V190 PolarHBondContact O-N 2.84Å; A187-V190 PolarHBondContact O-N 3Å; V190-T193 PolarHBondContact O-N 2.91Å; V190-Y194 WeakPolarHBondContact O-CB 3.48Å; V190-Y194 PolarHBondContact O-N 3.25Å
191	Q	91.9	Very high	82.2	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-47.6	177.7	168.4	170.7	64.4	0	0	112.5	I76 Y79 N84 A187 D188 Y194 A195 V204	I76-Q191 HydrophobicContact CG2-CB 3.87Å; I76-Q191 HydrophobicContact CG2-CG 4.37Å; I76-Q191 WeakPolarHBondContact O-CG 3.32Å; I76-Q191 PolarHBondContact O-NE2 3.14Å; Y79-Q191 PolarHBondContact O-NE2 3.32Å; N84-Q191 WeakPolarHBondContact ND2-CB 3.21Å; A187-Q191 WeakPolarHBondContact O-CB 2.94Å; A187-Q191 PolarHBondContact O-N 3.07Å; D188-Q191 PolarHBondContact O-N 3.36Å; Q191-Y194 PolarHBondContact O-N 3.3Å; Q191-A195 WeakPolarHBondContact O-CB 3.29Å; Q191-A195 PolarHBondContact O-N 2.92Å; Q191-V204 HydrophobicContact CG-CG1 4.13Å; Q191-V204 HydrophobicContact CG-CG2 4.27Å
192	K	85.5	Confident	80.2	Confident	40 Å²	40	47.7 Å²	47.7	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-53.8	-53.9	172.8	-76.1	-175.7	169.7	-167.5	0	112.3	D188 Y189 Y194 I196 V204 L206 E210	D188-K192 WeakPolarHBondContact O-CB 2.99Å; D188-K192 VanDerWaalsContact O-CG 3.27Å; D188-K192 WeakPolarHBondContact O-CG 3.46Å; D188-K192 PolarHBondContact O-N 3.16Å; Y189-K192 HydrophobicContact CD1-CD 4.23Å; Y189-K192 HydrophobicContact CE1-CD 4.43Å; K192-Y194 PolarHBondContact O-N 3.43Å; K192-I196 WeakPolarHBondContact O-CD1 3.49Å; K192-I196 VanDerWaalsContact O-CG1 3.29Å; K192-I196 WeakPolarHBondContact O-CG1 3.45Å; K192-I196 PolarHBondContact O-N 3.49Å; K192-V204 HydrophobicContact CB-CG1 4.42Å; K192-V204 HydrophobicContact CG-CG1 3.84Å; K192-L206 HydrophobicContact CB-CD2 3.47Å; K192-L206 VanDerWaalsContact CB-CD2 3.47Å; K192-L206 HydrophobicContact CD-CD2 3.61Å; K192-L206 HydrophobicContact CG-CD2 3.35Å; K192-L206 HydrophobicContact CG-CG 4.35Å; K192-E210 IonicContact NZ-OE1 3.72Å; K192-E210 IonicContact NZ-OE2 3.64Å; K192-E210 PolarHBondContact NZ-OE2 3.44Å
193	T	82.1	Confident	78.4	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-44.4	-179.3	-56	0	0	0	0	110.7	I171 I173 Y189 V190 I196 V197 F218	I171-T193 HydrophobicContact CD1-CG2 4.13Å; I171-T193 HydrophobicContact CG2-CG2 4.04Å; I173-T193 HydrophobicContact CD1-CG2 4.27Å; I173-T193 WeakPolarHBondContact CD1-OG1 3.24Å; Y189-T193 VanDerWaalsContact O-CB 3.3Å; Y189-T193 WeakPolarHBondContact O-CB 3.37Å; Y189-T193 PolarHBondContact O-N 3.11Å; Y189-T193 PolarHBondContact O-OG1 2.93Å; V190-T193 PolarHBondContact O-N 2.91Å; T193-I196 PolarHBondContact O-N 2.91Å; T193-I196 VanDerWaalsContact O-N 3.16Å; T193-V197 HydrophobicContact CG2-CG2 4.31Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 3.22Å; T193-F218 HydrophobicContact CG2-CE2 4.25Å; T193-F218 HydrophobicContact CG2-CZ 4.34Å
194	Y	84.3	Confident	76.7	Confident	29 Å²	29	52.2 Å²	52.2	11%	0.114	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-49.3	-178.6	-174.8	-83.3	0	0	0	112.2	D75 I76 H113 V190 Q191 K192 I196 V197 I198	D75-Y194 VanDerWaalsContact OD1-CE1 3.3Å; D75-Y194 WeakPolarHBondContact OD1-CE1 3.43Å; I76-Y194 HydrophobicContact CB-CD1 3.96Å; I76-Y194 HydrophobicContact CB-CD2 4.44Å; I76-Y194 HydrophobicContact CB-CE1 4.05Å; I76-Y194 HydrophobicContact CB-CG 4.14Å; I76-Y194 HydrophobicContact CG2-CD1 4.05Å; I76-Y194 HydrophobicContact CG2-CD2 4.48Å; I76-Y194 HydrophobicContact CG2-CG 3.95Å; H113-Y194 HydrophobicContact CB-CE2 4.25Å; H113-Y194 WeakPolarHBondContact CB-OH 3.29Å; H113-Y194 PolarHBondContact CD2-OH 2.87Å; H113-Y194 VanDerWaalsContact CD2-OH 3.22Å; H113-Y194 PolarHBondContact CE1-OH 3.15Å; H113-Y194 AromaticContact CG-CZ 3.9Å; H113-Y194 PolarHBondContact ND1-OH 3.15Å; H113-Y194 PolarHBondContact NE2-OH 3.47Å; V190-Y194 WeakPolarHBondContact O-CB 3.48Å; V190-Y194 PolarHBondContact O-N 3.25Å; Q191-Y194 PolarHBondContact O-N 3.3Å; K192-Y194 PolarHBondContact O-N 3.43Å; Y194-I196 PolarHBondContact O-N 3.11Å; Y194-V197 WeakPolarHBondContact O-CB 3.5Å; Y194-V197 PolarHBondContact O-N 3.23Å; Y194-V197 VanDerWaalsContact O-N 3.11Å; Y194-I198 HydrophobicContact CD1-CD1 3.95Å; Y194-I198 HydrophobicContact CD1-CG1 4.4Å; Y194-I198 HydrophobicContact CE1-CD1 3.52Å; Y194-I198 HydrophobicContact CE1-CG1 4.36Å; Y194-I198 HydrophobicContact CE1-CG2 4.34Å; Y194-I198 WeakPolarHBondContact O-CG1 3.13Å; Y194-I198 PolarHBondContact O-N 2.83Å; Y194-I198 VanDerWaalsContact O-N 3.07Å
195	A	78.1	Confident	74.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.2	-39.5	174.8	0	0	0	0	0	112.6	Q191 N199 E200 V204	Q191-A195 WeakPolarHBondContact O-CB 3.29Å; Q191-A195 PolarHBondContact O-N 2.92Å; A195-N199 PolarHBondContact O-N 2.76Å; A195-N199 VanDerWaalsContact O-N 3.11Å; A195-E200 VanDerWaalsContact CB-O 3.24Å; A195-E200 WeakPolarHBondContact CB-O 3.41Å; A195-E200 CarbonylContact O-C 3.58Å; A195-E200 PolarHBondContact O-N 3.26Å; A195-V204 HydrophobicContact CB-CB 4.01Å; A195-V204 HydrophobicContact CB-CG2 3.4Å; A195-V204 VanDerWaalsContact CB-CG2 3.4Å
196	I	68.5	Low	72.7	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-71.6	-40.1	177.1	-57	166.7	0	0	0	111.3	K192 T193 Y194 I198 N199 T201 L206 I214 A215 F218	K192-I196 WeakPolarHBondContact O-CD1 3.49Å; K192-I196 VanDerWaalsContact O-CG1 3.29Å; K192-I196 WeakPolarHBondContact O-CG1 3.45Å; K192-I196 PolarHBondContact O-N 3.49Å; T193-I196 PolarHBondContact O-N 2.91Å; T193-I196 VanDerWaalsContact O-N 3.16Å; Y194-I196 PolarHBondContact O-N 3.11Å; I196-I198 VanDerWaalsContact C-N 3.29Å; I196-I198 PolarHBondContact O-N 2.89Å; I196-N199 PolarHBondContact O-N 2.99Å; I196-T201 HydrophobicContact CG1-CG2 3.94Å; I196-L206 HydrophobicContact CD1-CD1 3.71Å; I196-L206 HydrophobicContact CD1-CD2 4.18Å; I196-L206 HydrophobicContact CG1-CD1 3.72Å; I196-I214 HydrophobicContact CB-CG2 3.96Å; I196-I214 HydrophobicContact CD1-CB 3.59Å; I196-I214 HydrophobicContact CD1-CD1 3.9Å; I196-I214 HydrophobicContact CD1-CG1 4.34Å; I196-I214 HydrophobicContact CD1-CG2 3.55Å; I196-I214 HydrophobicContact CG1-CG2 4.36Å; I196-I214 HydrophobicContact CG2-CB 4.38Å; I196-I214 HydrophobicContact CG2-CG2 3.77Å; I196-A215 HydrophobicContact CG2-CB 3.92Å; I196-F218 HydrophobicContact CB-CD2 4.25Å; I196-F218 HydrophobicContact CB-CE2 4.47Å; I196-F218 HydrophobicContact CG2-CB 4.33Å; I196-F218 HydrophobicContact CG2-CD2 3.6Å; I196-F218 HydrophobicContact CG2-CE2 4.27Å; I196-F218 HydrophobicContact CG2-CG 4.23Å
197	V	69.4	Low	70.9	Confident	76 Å²	76	52.2 Å²	52.2	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-55.8	-45.8	176.4	-178.8	0	0	0	0	111.2	T193 Y194 N199 F218	T193-V197 HydrophobicContact CG2-CG2 4.31Å; T193-V197 WeakPolarHBondContact O-CG2 3.37Å; T193-V197 PolarHBondContact O-N 3.22Å; Y194-V197 WeakPolarHBondContact O-CB 3.5Å; Y194-V197 PolarHBondContact O-N 3.23Å; Y194-V197 VanDerWaalsContact O-N 3.11Å; V197-N199 VanDerWaalsContact C-N 3.32Å; V197-F218 HydrophobicContact CB-CD1 4.26Å; V197-F218 HydrophobicContact CB-CE1 3.61Å; V197-F218 HydrophobicContact CB-CZ 3.77Å; V197-F218 HydrophobicContact CG1-CD1 4.33Å; V197-F218 HydrophobicContact CG1-CE1 3.66Å; V197-F218 HydrophobicContact CG1-CZ 4.25Å; V197-F218 HydrophobicContact CG2-CD1 4.33Å; V197-F218 HydrophobicContact CG2-CE1 3.3Å; V197-F218 HydrophobicContact CG2-CE2 3.83Å; V197-F218 HydrophobicContact CG2-CZ 2.98Å
198	I	69.5	Low	68.5	Low	47 Å²	47	60.1 Å²	60.1	24%	0.241	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	2.9	-173.8	71	171.1	0	0	0	113	Y194 I196 E200	Y194-I198 HydrophobicContact CD1-CD1 3.95Å; Y194-I198 HydrophobicContact CD1-CG1 4.4Å; Y194-I198 HydrophobicContact CE1-CD1 3.52Å; Y194-I198 HydrophobicContact CE1-CG1 4.36Å; Y194-I198 HydrophobicContact CE1-CG2 4.34Å; Y194-I198 WeakPolarHBondContact O-CG1 3.13Å; Y194-I198 PolarHBondContact O-N 2.83Å; Y194-I198 VanDerWaalsContact O-N 3.07Å; I196-I198 VanDerWaalsContact C-N 3.29Å; I196-I198 PolarHBondContact O-N 2.89Å; I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 HydrophobicContact CD1-CB 3.99Å; I198-E200 VanDerWaalsContact CD1-CD 3.46Å; I198-E200 HydrophobicContact CD1-CG 3.86Å; I198-E200 WeakPolarHBondContact CD1-OE2 3.14Å; I198-E200 HydrophobicContact CG1-CB 3.84Å; I198-E200 HydrophobicContact CG1-CG 3.86Å; I198-E200 PolarHBondContact O-N 2.78Å
199	N	63.6	Low	65.9	Low	139 Å²	139	64.4 Å²	64.4	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	37.4	-178.3	-164.4	55.1	0	0	0	113.7	A195 I196 V197	A195-N199 PolarHBondContact O-N 2.76Å; A195-N199 VanDerWaalsContact O-N 3.11Å; I196-N199 PolarHBondContact O-N 2.99Å; V197-N199 VanDerWaalsContact C-N 3.32Å
200	E	57.4	Low	63.9	Low	89 Å²	89	64.5 Å²	64.5	42%	0.416	36%	0.355	S	S	.	.			trans	-116.8	69.4	175.9	-67.4	-175.7	173.7	0	0	109.8	S77 A195 I198	S77-E200 WeakPolarHBondContact CB-OE2 3.38Å; S77-E200 PolarHBondContact OG-OE2 3.24Å; A195-E200 VanDerWaalsContact CB-O 3.24Å; A195-E200 WeakPolarHBondContact CB-O 3.41Å; A195-E200 CarbonylContact O-C 3.58Å; A195-E200 PolarHBondContact O-N 3.26Å; I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 HydrophobicContact CD1-CB 3.99Å; I198-E200 VanDerWaalsContact CD1-CD 3.46Å; I198-E200 HydrophobicContact CD1-CG 3.86Å; I198-E200 WeakPolarHBondContact CD1-OE2 3.14Å; I198-E200 HydrophobicContact CG1-CB 3.84Å; I198-E200 HydrophobicContact CG1-CG 3.86Å; I198-E200 PolarHBondContact O-N 2.78Å
201	T	53.1	Low	61.5	Low	63 Å²	63	64.4 Å²	64.4	39%	0.387	36%	0.355	S	S	.	.			trans	-93.2	-3.2	-173.9	55.4	0	0	0	0	114.6	I196 D203 L206	I196-T201 HydrophobicContact CG1-CG2 3.94Å; T201-D203 VanDerWaalsContact C-N 3.32Å; T201-D203 PolarHBondContact O-N 3.05Å; T201-L206 HydrophobicContact CG2-CD1 4.36Å
202	E	48.8	Very low	58.7	Low	193 Å²	193	67.6 Å²	67.6	90%	0.902	38%	0.375	S	S	*	.	S	Bend	trans	-65.6	-29.5	-170.3	-66.8	-170.5	163.9	0	0	114
203	D	54.1	Low	56.1	Low	135 Å²	135	67.2 Å²	67.2	72%	0.722	38%	0.38	S	S	*	.	S	Bend	trans	-106.3	-6.9	-175.4	-77.1	-32.4	0	0	0	114.8	T201	T201-D203 VanDerWaalsContact C-N 3.32Å; T201-D203 PolarHBondContact O-N 3.05Å
204	V	55.9	Low	54	Low	15 Å²	15	67.1 Å²	67.1	9%	0.091	38%	0.379	C	S	.	.	S	Bend	trans	-99.6	105.4	-176.9	-168.6	0	0	0	0	108.3	S77 Q191 K192 A195 L206	S77-V204 WeakPolarHBondContact O-CG2 3.23Å; Q191-V204 HydrophobicContact CG-CG1 4.13Å; Q191-V204 HydrophobicContact CG-CG2 4.27Å; K192-V204 HydrophobicContact CB-CG1 4.42Å; K192-V204 HydrophobicContact CG-CG1 3.84Å; A195-V204 HydrophobicContact CB-CB 4.01Å; A195-V204 HydrophobicContact CB-CG2 3.4Å; A195-V204 VanDerWaalsContact CB-CG2 3.4Å; V204-L206 HydrophobicContact CB-CG 4.47Å; V204-L206 HydrophobicContact CG1-CG 4.21Å; V204-L206 WeakPolarHBondContact O-CG 3.43Å; V204-L206 PolarHBondContact O-N 3.36Å
205	G	51	Low	51.5	Low	77 Å²	77	67.3 Å²	67.3	79%	0.794	39%	0.387	S	S	*	.			trans	-63.2	66.1	-176.7	0	0	0	0	0	114.2
206	L	51.7	Low	49.1	Very low	29 Å²	29	73.7 Å²	73.7	15%	0.152	42%	0.418	C	S	.	.			trans	-78.4	141.6	177.4	-64.9	161.3	0	0	0	109.7	K192 I196 T201 V204 S211	K192-L206 HydrophobicContact CB-CD2 3.47Å; K192-L206 VanDerWaalsContact CB-CD2 3.47Å; K192-L206 HydrophobicContact CD-CD2 3.61Å; K192-L206 HydrophobicContact CG-CD2 3.35Å; K192-L206 HydrophobicContact CG-CG 4.35Å; I196-L206 HydrophobicContact CD1-CD1 3.71Å; I196-L206 HydrophobicContact CD1-CD2 4.18Å; I196-L206 HydrophobicContact CG1-CD1 3.72Å; T201-L206 HydrophobicContact CG2-CD1 4.36Å; V204-L206 HydrophobicContact CB-CG 4.47Å; V204-L206 HydrophobicContact CG1-CG 4.21Å; V204-L206 WeakPolarHBondContact O-CG 3.43Å; V204-L206 PolarHBondContact O-N 3.36Å; L206-S211 WeakPolarHBondContact CB-OG 3.42Å
207	D	55.7	Low	47.8	Very low	69 Å²	69	77.8 Å²	77.8	37%	0.369	44%	0.437	S	S	.	.			trans	-70.8	156.1	162.7	75.7	56.6	0	0	0	110.1	T209 E210 S211	D207-T209 PolarHBondContact O-N 3.38Å; D207-T209 WeakPolarHBondContact OD1-CA 3.17Å; D207-T209 WeakPolarHBondContact OD1-CB 3.39Å; D207-T209 PolarHBondContact OD1-N 3.38Å; D207-E210 WeakPolarHBondContact OD1-CB 3.42Å; D207-E210 WeakPolarHBondContact OD1-CG 3.35Å; D207-E210 PolarHBondContact OD1-N 2.94Å; D207-E210 VanDerWaalsContact OD2-CG 3.22Å; D207-E210 WeakPolarHBondContact OD2-CG 3.37Å; D207-S211 WeakPolarHBondContact O-CB 3.49Å; D207-S211 PolarHBondContact O-N 3.05Å; D207-S211 PolarHBondContact O-OG 3.3Å
208	E	43.6	Very low	46.2	Very low	166 Å²	166	75.2 Å²	75.2	78%	0.776	42%	0.42	S	S	*	.	H	α-helix	trans	-65.3	-25.8	-174.8	-161.8	174.1	-173	0	0	112.2	T212	E208-T212 WeakPolarHBondContact O-CB 3.18Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 2.79Å
209	T	38	Very low	44.5	Very low	115 Å²	115	80.2 Å²	80.2	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-77.9	-48.1	-177.1	-48.3	0	0	0	0	110.8	D207 T212 A213	D207-T209 PolarHBondContact O-N 3.38Å; D207-T209 WeakPolarHBondContact OD1-CA 3.17Å; D207-T209 WeakPolarHBondContact OD1-CB 3.39Å; D207-T209 PolarHBondContact OD1-N 3.38Å; T209-T212 PolarHBondContact O-N 3.4Å; T209-A213 WeakPolarHBondContact O-CB 3.31Å; T209-A213 PolarHBondContact O-N 3.24Å
210	E	48.9	Very low	42.9	Very low	14 Å²	14	76.5 Å²	76.5	7%	0.065	43%	0.43	C	S	.	.	H	α-helix	trans	-60.5	-47	173.9	-71.8	-177.4	148.5	0	0	110.7	L151 Y189 K192 D207 A213 I214	L151-E210 HydrophobicContact CD1-CG 3.62Å; L151-E210 WeakPolarHBondContact CD1-OE1 3.43Å; Y189-E210 WeakPolarHBondContact CE1-OE1 3.31Å; Y189-E210 PolarHBondContact OH-OE1 2.9Å; Y189-E210 VanDerWaalsContact OH-OE1 3.1Å; K192-E210 IonicContact NZ-OE1 3.72Å; K192-E210 IonicContact NZ-OE2 3.64Å; K192-E210 PolarHBondContact NZ-OE2 3.44Å; D207-E210 WeakPolarHBondContact OD1-CB 3.42Å; D207-E210 WeakPolarHBondContact OD1-CG 3.35Å; D207-E210 PolarHBondContact OD1-N 2.94Å; D207-E210 VanDerWaalsContact OD2-CG 3.22Å; D207-E210 WeakPolarHBondContact OD2-CG 3.37Å; E210-A213 PolarHBondContact O-N 3.09Å; E210-I214 WeakPolarHBondContact O-CB 3.31Å; E210-I214 VanDerWaalsContact O-CG1 3.32Å; E210-I214 WeakPolarHBondContact O-CG1 3.24Å; E210-I214 PolarHBondContact O-N 3.47Å
211	S	40.1	Very low	41.7	Very low	30 Å²	30	73.8 Å²	73.8	21%	0.21	42%	0.421	C	S	.	.	H	α-helix	trans	-59.3	-49.8	178.1	-57.5	0	0	0	0	111.3	L206 D207 I214 A215	L206-S211 WeakPolarHBondContact CB-OG 3.42Å; D207-S211 WeakPolarHBondContact O-CB 3.49Å; D207-S211 PolarHBondContact O-N 3.05Å; D207-S211 PolarHBondContact O-OG 3.3Å; S211-I214 PolarHBondContact O-N 2.78Å; S211-A215 WeakPolarHBondContact O-CA 3.22Å; S211-A215 WeakPolarHBondContact O-CB 3.4Å; S211-A215 PolarHBondContact O-N 3.26Å
212	T	33	Very low	40.7	Very low	76 Å²	76	73.2 Å²	73.2	47%	0.466	43%	0.428	S	S	.	.	H	α-helix	trans	-66.2	-42.9	-176.4	-60	0	0	0	0	110.8	E208 T209 M216	E208-T212 WeakPolarHBondContact O-CB 3.18Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 2.79Å; T209-T212 PolarHBondContact O-N 3.4Å; T212-M216 HydrophobicContact CG2-CG 3.96Å; T212-M216 WeakPolarHBondContact O-CB 3.39Å; T212-M216 WeakPolarHBondContact O-CG 3.42Å; T212-M216 PolarHBondContact O-N 3.03Å
213	A	31.2	Very low	40.2	Very low	33 Å²	33	67.9 Å²	67.9	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-49.2	178.1	0	0	0	0	0	111.3	V150 T209 E210 H217	V150-A213 HydrophobicContact CG1-CB 3.82Å; T209-A213 WeakPolarHBondContact O-CB 3.31Å; T209-A213 PolarHBondContact O-N 3.24Å; E210-A213 PolarHBondContact O-N 3.09Å; A213-H217 PolarHBondContact O-CD2 3.33Å
214	I	37.7	Very low	39.9	Very low	6 Å²	6	62.7 Å²	62.7	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-72.5	-43.8	-178.2	-60	167.9	0	0	0	110.8	V150 I158 I196 E210 S211 H217 F218	V150-I214 HydrophobicContact CG1-CG1 4.34Å; I158-I214 HydrophobicContact CD1-CD1 4.43Å; I196-I214 HydrophobicContact CB-CG2 3.96Å; I196-I214 HydrophobicContact CD1-CB 3.59Å; I196-I214 HydrophobicContact CD1-CD1 3.9Å; I196-I214 HydrophobicContact CD1-CG1 4.34Å; I196-I214 HydrophobicContact CD1-CG2 3.55Å; I196-I214 HydrophobicContact CG1-CG2 4.36Å; I196-I214 HydrophobicContact CG2-CB 4.38Å; I196-I214 HydrophobicContact CG2-CG2 3.77Å; E210-I214 WeakPolarHBondContact O-CB 3.31Å; E210-I214 VanDerWaalsContact O-CG1 3.32Å; E210-I214 WeakPolarHBondContact O-CG1 3.24Å; E210-I214 PolarHBondContact O-N 3.47Å; S211-I214 PolarHBondContact O-N 2.78Å; I214-H217 PolarHBondContact O-N 3.04Å; I214-F218 HydrophobicContact CG2-CD2 3.49Å; I214-F218 VanDerWaalsContact CG2-CD2 3.49Å; I214-F218 HydrophobicContact CG2-CE2 3.4Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.36Å; I214-F218 PolarHBondContact O-N 2.9Å
215	A	32.8	Very low	39.4	Very low	34 Å²	34	64.7 Å²	64.7	28%	0.281	39%	0.391	S	S	.	.	H	α-helix	trans	-67.7	-40	-178	0	0	0	0	0	113.7	I196 S211 H217 F218 I219	I196-A215 HydrophobicContact CG2-CB 3.92Å; S211-A215 WeakPolarHBondContact O-CA 3.22Å; S211-A215 WeakPolarHBondContact O-CB 3.4Å; S211-A215 PolarHBondContact O-N 3.26Å; A215-H217 PolarHBondContact O-N 2.74Å; A215-H217 VanDerWaalsContact O-N 3.16Å; A215-F218 PolarHBondContact O-N 3.27Å; A215-F218 VanDerWaalsContact O-N 3.14Å; A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 2.67Å
216	M	27.1	Very low	39	Very low	133 Å²	133	67.2 Å²	67.2	66%	0.655	39%	0.386	S	S	*	.	H	α-helix	trans	-58.7	-28.3	174.8	-78.8	-64.9	-63.1	0	0	112.2	T212	T212-M216 HydrophobicContact CG2-CG 3.96Å; T212-M216 WeakPolarHBondContact O-CB 3.39Å; T212-M216 WeakPolarHBondContact O-CG 3.42Å; T212-M216 PolarHBondContact O-N 3.03Å
217	H	40.5	Very low	38.3	Very low	94 Å²	94	68.5 Å²	68.5	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-88.7	-28.9	177.5	-68.2	-53.6	0	0	0	113	F160 A213 I214 A215 S220	F160-H217 HydrophobicContact CE1-CB 4.22Å; F160-H217 HydrophobicContact CE2-CB 3.59Å; F160-H217 AromaticContact CE2-CD2 3.45Å; F160-H217 VanDerWaalsContact CE2-CD2 3.45Å; F160-H217 WeakPolarHBondContact CE2-CD2 3.45Å; F160-H217 AromaticContact CE2-CG 3.54Å; F160-H217 HydrophobicContact CZ-CB 3.28Å; F160-H217 AromaticContact CZ-CG 3.82Å; A213-H217 PolarHBondContact O-CD2 3.33Å; I214-H217 PolarHBondContact O-N 3.04Å; A215-H217 PolarHBondContact O-N 2.74Å; A215-H217 VanDerWaalsContact O-N 3.16Å; H217-S220 PolarHBondContact O-OG 3.19Å
218	F	37	Very low	36.9	Very low	23 Å²	23	71.8 Å²	71.8	10%	0.101	41%	0.413	C	S	.	.	H	α-helix	trans	-73.7	-30	178.5	-96	-69.3	0	0	0	116.3	L169 I171 T193 I196 V197 I214 A215 S220 S221	L169-F218 HydrophobicContact CD2-CE1 4.44Å; I171-F218 HydrophobicContact CD1-CE1 3.86Å; I171-F218 HydrophobicContact CD1-CE2 3.44Å; I171-F218 VanDerWaalsContact CD1-CE2 3.44Å; I171-F218 HydrophobicContact CD1-CZ 3Å; I171-F218 HydrophobicContact CG1-CZ 4.49Å; T193-F218 HydrophobicContact CG2-CE2 4.25Å; T193-F218 HydrophobicContact CG2-CZ 4.34Å; I196-F218 HydrophobicContact CB-CD2 4.25Å; I196-F218 HydrophobicContact CB-CE2 4.47Å; I196-F218 HydrophobicContact CG2-CB 4.33Å; I196-F218 HydrophobicContact CG2-CD2 3.6Å; I196-F218 HydrophobicContact CG2-CE2 4.27Å; I196-F218 HydrophobicContact CG2-CG 4.23Å; V197-F218 HydrophobicContact CB-CD1 4.26Å; V197-F218 HydrophobicContact CB-CE1 3.61Å; V197-F218 HydrophobicContact CB-CZ 3.77Å; V197-F218 HydrophobicContact CG1-CD1 4.33Å; V197-F218 HydrophobicContact CG1-CE1 3.66Å; V197-F218 HydrophobicContact CG1-CZ 4.25Å; V197-F218 HydrophobicContact CG2-CD1 4.33Å; V197-F218 HydrophobicContact CG2-CE1 3.3Å; V197-F218 HydrophobicContact CG2-CE2 3.83Å; V197-F218 HydrophobicContact CG2-CZ 2.98Å; I214-F218 HydrophobicContact CG2-CD2 3.49Å; I214-F218 VanDerWaalsContact CG2-CD2 3.49Å; I214-F218 HydrophobicContact CG2-CE2 3.4Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.36Å; I214-F218 PolarHBondContact O-N 2.9Å; A215-F218 PolarHBondContact O-N 3.27Å; A215-F218 VanDerWaalsContact O-N 3.14Å; F218-S220 PolarHBondContact O-N 3.03Å; F218-S221 PolarHBondContact O-N 2.79Å; F218-S221 VanDerWaalsContact O-N 3.12Å
219	I	33.7	Very low	36.3	Very low	151 Å²	151	70.3 Å²	70.3	77%	0.774	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-7.6	179.1	-69	168.8	0	0	0	112.1	A215	A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 2.67Å
220	S	30	Very low	37	Very low	62 Å²	62	67.2 Å²	67.2	43%	0.434	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.2	177.2	70.5	0	0	0	0	116.6	H217 F218	H217-S220 PolarHBondContact O-OG 3.19Å; F218-S220 PolarHBondContact O-N 3.03Å
221	S	32.8	Very low	36.6	Very low	31 Å²	31	68.4 Å²	68.4	22%	0.217	40%	0.396	C	S	.	.			trans	-162.5	100.6	-174.4	31.5	0	0	0	0	117.4	L169 F218	L169-S221 WeakPolarHBondContact CD2-OG 3.22Å; F218-S221 PolarHBondContact O-N 2.79Å; F218-S221 VanDerWaalsContact O-N 3.12Å
222	G	32.3	Very low	36.3	Very low	52 Å²	52	72.8 Å²	72.8	54%	0.536	42%	0.415	S	S	.	.			trans	-167	140.5	166.8	0	0	0	0	0	113.3	K276	G222-K276 PolarHBondContact O-NZ 2.96Å
223	S	37.5	Very low	38	Very low	80 Å²	80	72.3 Å²	72.3	56%	0.559	41%	0.409	S	S	*	.			trans	84.4	52.3	169.6	77.2	0	0	0	0	122	L116 Y225 K276	L116-S223 VanDerWaalsContact CD1-CA 3.48Å; S223-Y225 PolarHBondContact O-N 3.36Å; S223-K276 WeakPolarHBondContact O-CE 3.44Å; S223-K276 PolarHBondContact O-NZ 2.73Å; S223-K276 PolarHBondContact OG-NZ 3.2Å
224	N	47.6	Very low	39.6	Very low	27 Å²	27	71 Å²	71	14%	0.144	40%	0.398	C	S	.	.			trans	-83.1	-2.1	-151.1	-76	-19.6	0	0	0	122.9	I272 K276	N224-I272 HydrophobicContact CB-CB 4.09Å; N224-I272 HydrophobicContact CB-CD1 3.72Å; N224-I272 HydrophobicContact CB-CG1 3.81Å; N224-I272 HydrophobicContact CB-CG2 3.23Å; N224-I272 WeakPolarHBondContact ND2-CG2 3.26Å; N224-K276 VanDerWaalsContact CA-CE 3.46Å; N224-K276 HydrophobicContact CB-CD 4.01Å; N224-K276 WeakPolarHBondContact OD1-CD 3.36Å; N224-K276 VanDerWaalsContact OD1-CE 3.3Å; N224-K276 WeakPolarHBondContact OD1-CE 3.36Å; N224-K276 PolarHBondContact OD1-NZ 3.46Å
225	Y	45.7	Very low	40.8	Very low	57 Å²	57	75 Å²	75	22%	0.224	42%	0.422	C	S	.	.			trans	-144	139.1	172.3	-58	-69.3	0	0	0	112.1	S223 Q230 V234 I272	S223-Y225 PolarHBondContact O-N 3.36Å; Y225-Q230 HydrophobicContact CD1-CB 4.19Å; Y225-V234 HydrophobicContact CD1-CG2 4.22Å; Y225-V234 HydrophobicContact CE1-CB 4.1Å; Y225-V234 HydrophobicContact CE1-CG1 4.44Å; Y225-V234 HydrophobicContact CE1-CG2 3.31Å; Y225-V234 VanDerWaalsContact OH-CG1 3.24Å; Y225-V234 WeakPolarHBondContact OH-CG1 3.37Å; Y225-I272 HydrophobicContact CD1-CG1 4.17Å; Y225-I272 HydrophobicContact CD2-CD1 4.47Å; Y225-I272 HydrophobicContact CD2-CG1 4.48Å; Y225-I272 HydrophobicContact CE1-CD1 4.14Å; Y225-I272 HydrophobicContact CE1-CG1 3.34Å; Y225-I272 HydrophobicContact CE2-CD1 3.59Å; Y225-I272 HydrophobicContact CE2-CG1 3.76Å; Y225-I272 VanDerWaalsContact CZ-CD1 3.41Å; Y225-I272 VanDerWaalsContact OH-CD1 3.25Å; Y225-I272 WeakPolarHBondContact OH-CD1 3.32Å; Y225-I272 WeakPolarHBondContact OH-CG1 3.36Å
226	D	42.8	Very low	42.7	Very low	130 Å²	130	79.3 Å²	79.3	70%	0.695	44%	0.435	S	S	*	.	S	Bend	trans	-91	-12.7	-179.5	-48.9	-52.3	0	0	0	113.6	Q230	D226-Q230 PolarHBondContact OD2-NE2 3.15Å; D226-Q230 VanDerWaalsContact OD2-NE2 3.08Å
227	S	36.3	Very low	45.2	Very low	55 Å²	55	73.4 Å²	73.4	39%	0.385	41%	0.406	S	S	.	.			trans	-159.3	158.8	-179.4	65.9	0	0	0	0	115.2	Q229 Q230 A231	S227-Q229 PolarHBondContact O-N 2.94Å; S227-Q230 WeakPolarHBondContact O-CB 3.42Å; S227-Q230 PolarHBondContact O-N 3.13Å; S227-Q230 PolarHBondContact OG-N 3.02Å; S227-A231 PolarHBondContact O-N 3.49Å; S227-A231 VanDerWaalsContact O-N 3.15Å
228	I	26.7	Very low	47	Very low	138 Å²	138	69.4 Å²	69.4	71%	0.708	39%	0.388	S	S	*	.	H	α-helix	trans	-55	-34.9	170.4	-65.7	171.8	0	0	0	111.2	Q230 A231 M232	I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 2.85Å; I228-A231 PolarHBondContact O-N 2.93Å; I228-M232 HydrophobicContact CG2-CG 4.31Å; I228-M232 HydrophobicContact CG2-SD 4.28Å; I228-M232 WeakPolarHBondContact O-CG 3.48Å; I228-M232 PolarHBondContact O-N 3.17Å
229	Q	31.2	Very low	49	Very low	136 Å²	136	71.6 Å²	71.6	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-65.4	-37.4	178.1	-169.2	61	55.2	0	0	111.7	S227 N233	S227-Q229 PolarHBondContact O-N 2.94Å; Q229-N233 VanDerWaalsContact O-CB 3.27Å; Q229-N233 WeakPolarHBondContact O-CB 3.47Å; Q229-N233 PolarHBondContact O-N 2.96Å
230	Q	51.3	Low	51.6	Low	49 Å²	49	67.4 Å²	67.4	23%	0.229	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-43.2	172.5	-71.6	178.9	8.1	0	0	110.9	Y225 D226 S227 I228 N233 V234	Y225-Q230 HydrophobicContact CD1-CB 4.19Å; D226-Q230 PolarHBondContact OD2-NE2 3.15Å; D226-Q230 VanDerWaalsContact OD2-NE2 3.08Å; S227-Q230 WeakPolarHBondContact O-CB 3.42Å; S227-Q230 PolarHBondContact O-N 3.13Å; S227-Q230 PolarHBondContact OG-N 3.02Å; I228-Q230 VanDerWaalsContact C-N 3.33Å; I228-Q230 PolarHBondContact O-N 2.85Å; Q230-N233 WeakPolarHBondContact O-CB 3.4Å; Q230-N233 PolarHBondContact O-N 2.89Å; Q230-V234 VanDerWaalsContact O-CG2 3.24Å; Q230-V234 WeakPolarHBondContact O-CG2 3.3Å; Q230-V234 PolarHBondContact O-N 2.76Å
231	A	40.6	Very low	54.4	Low	39 Å²	39	64.5 Å²	64.5	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177	0	0	0	0	0	112.7	S227 I228 N233 V234 T235	S227-A231 PolarHBondContact O-N 3.49Å; S227-A231 VanDerWaalsContact O-N 3.15Å; I228-A231 PolarHBondContact O-N 2.93Å; A231-N233 VanDerWaalsContact C-N 3.31Å; A231-N233 PolarHBondContact O-N 3.36Å; A231-V234 PolarHBondContact O-N 3.35Å; A231-T235 PolarHBondContact O-N 2.95Å; A231-T235 VanDerWaalsContact O-N 3.07Å; A231-T235 PolarHBondContact O-OG1 2.86Å
232	M	35.1	Very low	57	Low	122 Å²	122	63.6 Å²	63.6	60%	0.601	36%	0.355	S	S	*	.	H	α-helix	trans	-62.6	-38.8	175.3	-72.8	-175.9	71.6	0	0	112	I228 V234 K236	I228-M232 HydrophobicContact CG2-CG 4.31Å; I228-M232 HydrophobicContact CG2-SD 4.28Å; I228-M232 WeakPolarHBondContact O-CG 3.48Å; I228-M232 PolarHBondContact O-N 3.17Å; M232-V234 VanDerWaalsContact C-N 3.34Å; M232-K236 PolarHBondContact O-N 2.82Å; M232-K236 VanDerWaalsContact O-N 3.17Å
233	N	67	Low	59.7	Low	67 Å²	67	64.1 Å²	64.1	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-43.2	175.7	-164.2	24.7	0	0	0	110.5	Q229 Q230 A231 K236 I237	Q229-N233 VanDerWaalsContact O-CB 3.27Å; Q229-N233 WeakPolarHBondContact O-CB 3.47Å; Q229-N233 PolarHBondContact O-N 2.96Å; Q230-N233 WeakPolarHBondContact O-CB 3.4Å; Q230-N233 PolarHBondContact O-N 2.89Å; A231-N233 VanDerWaalsContact C-N 3.31Å; A231-N233 PolarHBondContact O-N 3.36Å; N233-K236 PolarHBondContact O-N 3.48Å; N233-I237 WeakPolarHBondContact O-CD1 3.4Å; N233-I237 WeakPolarHBondContact O-CG1 3.35Å; N233-I237 PolarHBondContact O-N 2.77Å
234	V	64.8	Low	62.3	Low	4 Å²	4	62 Å²	62	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-46.4	178.9	172.6	0	0	0	0	112.4	Y225 Q230 A231 M232 K236 I237 I238 Q268 L271	Y225-V234 HydrophobicContact CD1-CG2 4.22Å; Y225-V234 HydrophobicContact CE1-CB 4.1Å; Y225-V234 HydrophobicContact CE1-CG1 4.44Å; Y225-V234 HydrophobicContact CE1-CG2 3.31Å; Y225-V234 VanDerWaalsContact OH-CG1 3.24Å; Y225-V234 WeakPolarHBondContact OH-CG1 3.37Å; Q230-V234 VanDerWaalsContact O-CG2 3.24Å; Q230-V234 WeakPolarHBondContact O-CG2 3.3Å; Q230-V234 PolarHBondContact O-N 2.76Å; A231-V234 PolarHBondContact O-N 3.35Å; M232-V234 VanDerWaalsContact C-N 3.34Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 2.91Å; V234-I237 PolarHBondContact O-N 3.22Å; V234-I238 HydrophobicContact CG1-CD1 3.66Å; V234-I238 HydrophobicContact CG1-CG1 4.25Å; V234-I238 VanDerWaalsContact O-CG1 3.26Å; V234-I238 WeakPolarHBondContact O-CG1 3.41Å; V234-I238 PolarHBondContact O-N 3.02Å; V234-Q268 HydrophobicContact CG1-CG 4.36Å; V234-L271 HydrophobicContact CG1-CB 4.23Å; V234-L271 HydrophobicContact CG1-CD1 3.76Å; V234-L271 HydrophobicContact CG2-CB 4.43Å
235	T	62.8	Low	64.3	Low	90 Å²	90	60.9 Å²	60.9	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-60	-40	177.5	-56.3	0	0	0	0	111.9	A231 I238 S239	A231-T235 PolarHBondContact O-N 2.95Å; A231-T235 VanDerWaalsContact O-N 3.07Å; A231-T235 PolarHBondContact O-OG1 2.86Å; T235-I238 PolarHBondContact O-N 3.22Å; T235-S239 PolarHBondContact O-N 3.28Å; T235-S239 VanDerWaalsContact O-N 3.1Å
236	K	72.8	Confident	66.3	Low	126 Å²	126	60.2 Å²	60.2	55%	0.548	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-49	175.2	-178	-179.4	172.4	-174.8	0	111.3	M232 N233 V234 I238 S239 E240	M232-K236 PolarHBondContact O-N 2.82Å; M232-K236 VanDerWaalsContact O-N 3.17Å; N233-K236 PolarHBondContact O-N 3.48Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 2.91Å; K236-I238 VanDerWaalsContact C-N 3.27Å; K236-I238 PolarHBondContact O-N 3.42Å; K236-S239 WeakPolarHBondContact O-CB 3.02Å; K236-S239 PolarHBondContact O-N 2.86Å; K236-S239 VanDerWaalsContact O-N 3.16Å; K236-E240 WeakPolarHBondContact CE-OE1 3.24Å; K236-E240 PolarHBondContact O-N 3.37Å; K236-E240 VanDerWaalsContact O-N 3.09Å
237	I	80	Confident	68.7	Low	9 Å²	9	62.4 Å²	62.4	5%	0.046	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-44.5	178.3	-66.8	166.8	0	0	0	110.8	N233 V234 S239 E240 I241 L271 Y308 L309 H313	N233-I237 WeakPolarHBondContact O-CD1 3.4Å; N233-I237 WeakPolarHBondContact O-CG1 3.35Å; N233-I237 PolarHBondContact O-N 2.77Å; V234-I237 PolarHBondContact O-N 3.22Å; I237-S239 PolarHBondContact O-N 3.12Å; I237-E240 PolarHBondContact O-N 2.83Å; I237-I241 HydrophobicContact CG2-CD1 3.81Å; I237-I241 HydrophobicContact CG2-CG1 4.26Å; I237-I241 VanDerWaalsContact O-CG1 3.29Å; I237-I241 WeakPolarHBondContact O-CG1 3.47Å; I237-I241 PolarHBondContact O-N 2.84Å; I237-L271 HydrophobicContact CB-CD1 3.85Å; I237-L271 HydrophobicContact CG2-CD1 3.5Å; I237-L271 VanDerWaalsContact CG2-CD1 3.5Å; I237-L271 HydrophobicContact CG2-CD2 3.58Å; I237-L271 HydrophobicContact CG2-CG 4.18Å; I237-Y308 HydrophobicContact CG2-CE1 4.22Å; I237-L309 HydrophobicContact CG2-CD2 3.58Å; I237-H313 VanDerWaalsContact CD1-CE1 3.5Å; I237-H313 WeakPolarHBondContact CD1-CE1 3.41Å; I237-H313 VanDerWaalsContact CG1-CE1 3.48Å; I237-H313 WeakPolarHBondContact CG1-CE1 3.4Å; I237-H313 VanDerWaalsContact CG1-NE2 3.32Å; I237-H313 WeakPolarHBondContact CG1-NE2 3.47Å
238	I	79.6	Confident	71.3	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-43.8	179.2	-70.4	171.4	0	0	0	111.5	V234 T235 K236 E240 I241 I242 V264 L267 Q268 L271	V234-I238 HydrophobicContact CG1-CD1 3.66Å; V234-I238 HydrophobicContact CG1-CG1 4.25Å; V234-I238 VanDerWaalsContact O-CG1 3.26Å; V234-I238 WeakPolarHBondContact O-CG1 3.41Å; V234-I238 PolarHBondContact O-N 3.02Å; T235-I238 PolarHBondContact O-N 3.22Å; K236-I238 VanDerWaalsContact C-N 3.27Å; K236-I238 PolarHBondContact O-N 3.42Å; I238-E240 VanDerWaalsContact C-N 3.29Å; I238-E240 PolarHBondContact O-N 2.65Å; I238-I241 PolarHBondContact O-N 3.21Å; I238-I242 HydrophobicContact CG2-CD1 3.59Å; I238-I242 HydrophobicContact CG2-CG1 4.33Å; I238-I242 WeakPolarHBondContact O-CB 3.22Å; I238-I242 WeakPolarHBondContact O-CD1 3.24Å; I238-I242 VanDerWaalsContact O-CG1 3.25Å; I238-I242 WeakPolarHBondContact O-CG1 3.41Å; I238-I242 PolarHBondContact O-N 3.45Å; I238-V264 HydrophobicContact CG2-CG1 4.31Å; I238-V264 HydrophobicContact CG2-CG2 4.28Å; I238-L267 HydrophobicContact CD1-CB 4.37Å; I238-L267 HydrophobicContact CG1-CB 3.98Å; I238-L267 HydrophobicContact CG2-CD1 4.22Å; I238-Q268 HydrophobicContact CD1-CB 4.04Å; I238-Q268 HydrophobicContact CD1-CG 3.11Å; I238-L271 HydrophobicContact CD1-CD1 4.21Å; I238-L271 HydrophobicContact CG1-CD1 3.59Å
239	S	78.3	Confident	74.3	Confident	70 Å²	70	55.8 Å²	55.8	49%	0.49	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-39.2	176.8	-174	0	0	0	0	112.3	T235 K236 I237 I242 S243	T235-S239 PolarHBondContact O-N 3.28Å; T235-S239 VanDerWaalsContact O-N 3.1Å; K236-S239 WeakPolarHBondContact O-CB 3.02Å; K236-S239 PolarHBondContact O-N 2.86Å; K236-S239 VanDerWaalsContact O-N 3.16Å; I237-S239 PolarHBondContact O-N 3.12Å; S239-I242 PolarHBondContact O-N 2.98Å; S239-S243 PolarHBondContact O-N 2.92Å; S239-S243 PolarHBondContact O-OG 3.47Å
240	E	88.1	Confident	77.1	Confident	63 Å²	63	56.3 Å²	56.3	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-41.7	175.7	-66.2	-172.7	-146.9	0	0	111.3	K236 I237 I238 I242 S243 I244 Y308	K236-E240 WeakPolarHBondContact CE-OE1 3.24Å; K236-E240 PolarHBondContact O-N 3.37Å; K236-E240 VanDerWaalsContact O-N 3.09Å; I237-E240 PolarHBondContact O-N 2.83Å; I238-E240 VanDerWaalsContact C-N 3.29Å; I238-E240 PolarHBondContact O-N 2.65Å; E240-I242 PolarHBondContact O-N 3.19Å; E240-S243 WeakPolarHBondContact O-CB 3.16Å; E240-S243 PolarHBondContact O-N 3.03Å; E240-I244 WeakPolarHBondContact O-CG1 3.49Å; E240-I244 PolarHBondContact O-N 3.4Å; E240-Y308 HydrophobicContact CB-CE1 4.18Å; E240-Y308 HydrophobicContact CB-CE2 4.19Å; E240-Y308 WeakPolarHBondContact OE2-CE2 3.48Å; E240-Y308 PolarHBondContact OE2-OH 3.15Å
241	I	88.8	Confident	78.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-45.6	173.1	-68.6	174.6	0	0	0	111.3	I237 I238 S243 I244 I245 L267 L271 V305 Y308 L309	I237-I241 HydrophobicContact CG2-CD1 3.81Å; I237-I241 HydrophobicContact CG2-CG1 4.26Å; I237-I241 VanDerWaalsContact O-CG1 3.29Å; I237-I241 WeakPolarHBondContact O-CG1 3.47Å; I237-I241 PolarHBondContact O-N 2.84Å; I238-I241 PolarHBondContact O-N 3.21Å; I241-S243 VanDerWaalsContact C-N 3.27Å; I241-S243 PolarHBondContact O-N 2.65Å; I241-I244 WeakPolarHBondContact O-CB 3.3Å; I241-I244 PolarHBondContact O-N 2.79Å; I241-I244 VanDerWaalsContact O-N 3.14Å; I241-I245 HydrophobicContact CG2-CD1 3.81Å; I241-I245 HydrophobicContact CG2-CG1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.43Å; I241-I245 PolarHBondContact O-N 2.79Å; I241-L267 HydrophobicContact CB-CD1 4.17Å; I241-L267 HydrophobicContact CD1-CD2 4.16Å; I241-L267 HydrophobicContact CG2-CD1 3.55Å; I241-L267 HydrophobicContact CG2-CD2 3.72Å; I241-L267 HydrophobicContact CG2-CG 4.29Å; I241-L271 HydrophobicContact CD1-CD1 4.48Å; I241-V305 HydrophobicContact CD1-CG1 3.91Å; I241-V305 HydrophobicContact CG1-CG1 3.87Å; I241-V305 HydrophobicContact CG2-CG1 3.96Å; I241-V305 HydrophobicContact CG2-CG2 3.79Å; I241-Y308 HydrophobicContact CG1-CD1 4.35Å; I241-Y308 HydrophobicContact CG1-CE1 4.31Å; I241-L309 HydrophobicContact CD1-CD1 4.39Å; I241-L309 HydrophobicContact CD1-CD2 4.28Å
242	I	87.3	Confident	81	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-40.7	177.2	-71.3	159.2	0	0	0	110.6	I238 S239 E240 I244 I245 Q246 F260 V264 L267	I238-I242 HydrophobicContact CG2-CD1 3.59Å; I238-I242 HydrophobicContact CG2-CG1 4.33Å; I238-I242 WeakPolarHBondContact O-CB 3.22Å; I238-I242 WeakPolarHBondContact O-CD1 3.24Å; I238-I242 VanDerWaalsContact O-CG1 3.25Å; I238-I242 WeakPolarHBondContact O-CG1 3.41Å; I238-I242 PolarHBondContact O-N 3.45Å; S239-I242 PolarHBondContact O-N 2.98Å; E240-I242 PolarHBondContact O-N 3.19Å; I242-I244 VanDerWaalsContact C-N 3.34Å; I242-I244 PolarHBondContact O-N 2.8Å; I242-I245 PolarHBondContact O-N 3.17Å; I242-Q246 HydrophobicContact CG2-CG 4.44Å; I242-Q246 WeakPolarHBondContact O-CB 3.44Å; I242-Q246 WeakPolarHBondContact O-CG 3.41Å; I242-Q246 PolarHBondContact O-N 3.15Å; I242-F260 HydrophobicContact CD1-CE2 3.6Å; I242-F260 HydrophobicContact CD1-CZ 3.83Å; I242-F260 HydrophobicContact CG1-CE2 4.19Å; I242-F260 HydrophobicContact CG2-CE2 4.15Å; I242-V264 HydrophobicContact CD1-CG2 4.03Å; I242-L267 HydrophobicContact CG1-CD1 4.37Å
243	S	89	Confident	83.1	Confident	63 Å²	63	56.5 Å²	56.5	44%	0.441	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-41.8	175.1	-60.4	0	0	0	0	112	S239 E240 I241 Y247	S239-S243 PolarHBondContact O-N 2.92Å; S239-S243 PolarHBondContact O-OG 3.47Å; E240-S243 WeakPolarHBondContact O-CB 3.16Å; E240-S243 PolarHBondContact O-N 3.03Å; I241-S243 VanDerWaalsContact C-N 3.27Å; I241-S243 PolarHBondContact O-N 2.65Å; S243-Y247 VanDerWaalsContact O-CB 3.3Å; S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 3.48Å
244	I	91.7	Very high	83.7	Confident	37 Å²	37	57 Å²	57	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174.8	-67	165	0	0	0	111	E240 I241 I242 H248 K304 V305 Y308	E240-I244 WeakPolarHBondContact O-CG1 3.49Å; E240-I244 PolarHBondContact O-N 3.4Å; I241-I244 WeakPolarHBondContact O-CB 3.3Å; I241-I244 PolarHBondContact O-N 2.79Å; I241-I244 VanDerWaalsContact O-N 3.14Å; I242-I244 VanDerWaalsContact C-N 3.34Å; I242-I244 PolarHBondContact O-N 2.8Å; I244-H248 VanDerWaalsContact O-CB 3.27Å; I244-H248 WeakPolarHBondContact O-CB 3.35Å; I244-H248 PolarHBondContact O-N 3.23Å; I244-K304 HydrophobicContact CG2-CB 3.93Å; I244-V305 HydrophobicContact CB-CG2 4.25Å; I244-V305 HydrophobicContact CG2-CG2 3.82Å; I244-Y308 HydrophobicContact CD1-CD1 3.9Å; I244-Y308 HydrophobicContact CD1-CD2 4.1Å; I244-Y308 HydrophobicContact CD1-CG 3.55Å
245	I	89.7	Confident	84.4	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-51.5	179.5	-65.6	165.6	0	0	0	110.5	I241 I242 Y247 H248 F249 I253 L263 K329	I241-I245 HydrophobicContact CG2-CD1 3.81Å; I241-I245 HydrophobicContact CG2-CG1 4.36Å; I241-I245 WeakPolarHBondContact O-CG1 3.43Å; I241-I245 PolarHBondContact O-N 2.79Å; I242-I245 PolarHBondContact O-N 3.17Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 3.31Å; I245-H248 PolarHBondContact O-N 2.9Å; I245-F249 HydrophobicContact CG2-CD2 3.85Å; I245-F249 HydrophobicContact CG2-CE2 4Å; I245-F249 WeakPolarHBondContact O-CD2 3.34Å; I245-F249 PolarHBondContact O-N 3.4Å; I245-F249 VanDerWaalsContact O-N 3.1Å; I245-I253 HydrophobicContact CG2-CD1 3.94Å; I245-L263 HydrophobicContact CD1-CD1 4.2Å; I245-L263 HydrophobicContact CD1-CD2 3.98Å; I245-K329 HydrophobicContact CD1-CD 4.24Å; I245-K329 HydrophobicContact CD1-CG 4.09Å; I245-K329 HydrophobicContact CG1-CD 4.19Å; I245-K329 HydrophobicContact CG1-CG 4.45Å
246	Q	89.4	Confident	84.7	Confident	43 Å²	43	65.7 Å²	65.7	20%	0.201	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-45.6	178.2	-75.5	-175.5	112.9	0	0	111.7	I242 Q250 I251 I253	I242-Q246 HydrophobicContact CG2-CG 4.44Å; I242-Q246 WeakPolarHBondContact O-CB 3.44Å; I242-Q246 WeakPolarHBondContact O-CG 3.41Å; I242-Q246 PolarHBondContact O-N 3.15Å; Q246-Q250 WeakPolarHBondContact O-CA 3.19Å; Q246-Q250 PolarHBondContact O-N 2.92Å; Q246-I251 WeakPolarHBondContact CA-O 3.28Å; Q246-I251 VanDerWaalsContact CB-O 3.27Å; Q246-I251 WeakPolarHBondContact CB-O 3.41Å; Q246-I251 WeakPolarHBondContact CG-O 3.28Å; Q246-I251 PolarHBondContact O-N 2.83Å; Q246-I251 VanDerWaalsContact O-N 3.1Å; Q246-I253 HydrophobicContact CG-CB 4.35Å; Q246-I253 HydrophobicContact CG-CD1 3.76Å; Q246-I253 HydrophobicContact CG-CG1 3.82Å; Q246-I253 VanDerWaalsContact OE1-N 3.09Å
247	Y	92.6	Very high	84.7	Confident	176 Å²	176	60.7 Å²	60.7	69%	0.69	30%	0.3	S	S	*	.	H	α-helix	trans	-67.7	-38	177.9	-173.4	-96	0	0	0	112.7	S243 I245 Q250	S243-Y247 VanDerWaalsContact O-CB 3.3Å; S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 3.48Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 3.31Å; Y247-Q250 PolarHBondContact O-NE2 2.85Å
248	H	90.9	Very high	83.8	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.134	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-48.8	179	-176.8	111.9	0	0	0	111.3	I244 I245 S297 C301 K304	I244-H248 VanDerWaalsContact O-CB 3.27Å; I244-H248 WeakPolarHBondContact O-CB 3.35Å; I244-H248 PolarHBondContact O-N 3.23Å; I245-H248 PolarHBondContact O-N 2.9Å; H248-S297 PolarHBondContact NE2-O 3.33Å; H248-C301 HydrophobicContact CB-CB 4.35Å; H248-C301 PolarHBondContact CE1-N 3.49Å; H248-K304 WeakPolarHBondContact ND1-CD 3.39Å; H248-K304 WeakPolarHBondContact ND1-CE 3.28Å; H248-K304 PolarHBondContact ND1-NZ 3.3Å
249	F	89	Confident	83	Confident	25 Å²	25	65 Å²	65	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-89.2	-4.9	-175.9	-63.3	-64.2	0	0	0	113.9	I245 I251 S297 C301 R333	I245-F249 HydrophobicContact CG2-CD2 3.85Å; I245-F249 HydrophobicContact CG2-CE2 4Å; I245-F249 WeakPolarHBondContact O-CD2 3.34Å; I245-F249 PolarHBondContact O-N 3.4Å; I245-F249 VanDerWaalsContact O-N 3.1Å; F249-I251 HydrophobicContact CB-CB 4.48Å; F249-I251 HydrophobicContact CB-CD1 3.94Å; F249-I251 HydrophobicContact CB-CG1 3.91Å; F249-I251 HydrophobicContact CB-CG2 3.99Å; F249-I251 HydrophobicContact CD2-CD1 4.36Å; F249-I251 PolarHBondContact O-N 3.48Å; F249-S297 WeakPolarHBondContact CE1-OG 3.16Å; F249-C301 HydrophobicContact CE2-CB 3.88Å; F249-C301 HydrophobicContact CZ-CB 3.73Å; F249-R333 HydrophobicContact CD1-CG 4.08Å; F249-R333 VanDerWaalsContact CE1-CD 3.46Å; F249-R333 HydrophobicContact CE1-CG 4.12Å; F249-R333 HydrophobicContact CG-CG 4.41Å; F249-R333 HydrophobicContact CZ-CB 4.5Å; F249-R333 HydrophobicContact CZ-CG 4.44Å
250	Q	90.6	Very high	82.7	Confident	147 Å²	147	63.1 Å²	63.1	69%	0.687	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	38.2	-173.9	-57.1	-67	-41.7	0	0	112.2	Q246 Y247	Q246-Q250 WeakPolarHBondContact O-CA 3.19Å; Q246-Q250 PolarHBondContact O-N 2.92Å; Y247-Q250 PolarHBondContact O-NE2 2.85Å
251	I	88	Confident	81.3	Confident	26 Å²	26	63.2 Å²	63.2	13%	0.133	31%	0.311	C	S	.	.			trans	-113.6	156.5	179.4	65.8	-178.6	0	0	0	110.6	Q246 F249 I253 E336 M337	Q246-I251 WeakPolarHBondContact CA-O 3.28Å; Q246-I251 VanDerWaalsContact CB-O 3.27Å; Q246-I251 WeakPolarHBondContact CB-O 3.41Å; Q246-I251 WeakPolarHBondContact CG-O 3.28Å; Q246-I251 PolarHBondContact O-N 2.83Å; Q246-I251 VanDerWaalsContact O-N 3.1Å; F249-I251 HydrophobicContact CB-CB 4.48Å; F249-I251 HydrophobicContact CB-CD1 3.94Å; F249-I251 HydrophobicContact CB-CG1 3.91Å; F249-I251 HydrophobicContact CB-CG2 3.99Å; F249-I251 HydrophobicContact CD2-CD1 4.36Å; F249-I251 PolarHBondContact O-N 3.48Å; I251-I253 HydrophobicContact CD1-CG1 3.92Å; I251-I253 HydrophobicContact CG1-CG1 4.14Å; I251-E336 HydrophobicContact CD1-CB 4.05Å; I251-M337 HydrophobicContact CG2-CG 4.36Å
252	K	85.2	Confident	80.1	Confident	184 Å²	184	65.8 Å²	65.8	80%	0.8	32%	0.32	S	S	*	.			trans	-109	111	165.5	-175.4	-179.3	-179.7	-176.1	0	107.5
253	I	79.9	Confident	79.3	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	32%	0.318	C	S	.	.			trans	-75.1	129.4	-178	-60.7	166.4	0	0	0	108.4	I245 Q246 I251 Q255 F260 L263 V332	I245-I253 HydrophobicContact CG2-CD1 3.94Å; Q246-I253 HydrophobicContact CG-CB 4.35Å; Q246-I253 HydrophobicContact CG-CD1 3.76Å; Q246-I253 HydrophobicContact CG-CG1 3.82Å; Q246-I253 VanDerWaalsContact OE1-N 3.09Å; I251-I253 HydrophobicContact CD1-CG1 3.92Å; I251-I253 HydrophobicContact CG1-CG1 4.14Å; I253-Q255 PolarHBondContact O-N 3.17Å; I253-Q255 VanDerWaalsContact O-N 3.14Å; I253-F260 HydrophobicContact CG2-CB 4.01Å; I253-F260 HydrophobicContact CG2-CD2 3.67Å; I253-F260 HydrophobicContact CG2-CG 4.27Å; I253-L263 HydrophobicContact CD1-CD2 4.28Å; I253-V332 HydrophobicContact CD1-CG1 4.2Å; I253-V332 HydrophobicContact CG1-CG1 4.3Å; I253-V332 HydrophobicContact CG2-CG1 4.39Å
254	D	80.3	Confident	78.3	Confident	79 Å²	79	63.8 Å²	63.8	42%	0.422	31%	0.306	S	S	.	.			trans	-68.5	109.3	171.6	-179.7	13.4	0	0	0	110.3	N256 S257 F260 E336	D254-N256 PolarHBondContact O-N 3.11Å; D254-N256 WeakPolarHBondContact OD1-CB 3.47Å; D254-N256 PolarHBondContact OD1-N 2.69Å; D254-N256 PolarHBondContact OD1-ND2 3.1Å; D254-S257 WeakPolarHBondContact O-CB 3.3Å; D254-S257 PolarHBondContact O-N 3.08Å; D254-S257 PolarHBondContact O-OG 2.84Å; D254-F260 VanDerWaalsContact O-CB 3.25Å; D254-F260 WeakPolarHBondContact O-CB 3.31Å; D254-E336 PolarHBondContact N-OE2 3.48Å
255	Q	78	Confident	76.6	Confident	125 Å²	125	62.3 Å²	62.3	58%	0.584	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.7	-179.3	-62.2	-173.9	12.6	0	0	113.4	I253 F260	I253-Q255 PolarHBondContact O-N 3.17Å; I253-Q255 VanDerWaalsContact O-N 3.14Å; Q255-F260 VanDerWaalsContact CA-CD1 3.5Å; Q255-F260 HydrophobicContact CB-CD1 3.99Å; Q255-F260 HydrophobicContact CB-CE1 3.84Å; Q255-F260 HydrophobicContact CB-CG 4.39Å; Q255-F260 HydrophobicContact CB-CZ 4.14Å; Q255-F260 HydrophobicContact CG-CD1 4.42Å; Q255-F260 HydrophobicContact CG-CD2 4.34Å; Q255-F260 HydrophobicContact CG-CE1 4.04Å; Q255-F260 HydrophobicContact CG-CE2 3.95Å; Q255-F260 HydrophobicContact CG-CZ 3.79Å; Q255-F260 WeakPolarHBondContact O-CD1 3.23Å
256	N	70.2	Confident	75.5	Confident	150 Å²	150	63.5 Å²	63.5	80%	0.802	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.8	173.6	-53.4	-53.3	0	0	0	112.3	D254	D254-N256 PolarHBondContact O-N 3.11Å; D254-N256 WeakPolarHBondContact OD1-CB 3.47Å; D254-N256 PolarHBondContact OD1-N 2.69Å; D254-N256 PolarHBondContact OD1-ND2 3.1Å
257	S	72.4	Confident	74.8	Confident	21 Å²	21	61.5 Å²	61.5	15%	0.147	30%	0.295	C	S	.	.	S	Bend	trans	-78.7	149	-178.3	83.3	0	0	0	0	112.1	D254 N259 F260 S261	D254-S257 WeakPolarHBondContact O-CB 3.3Å; D254-S257 PolarHBondContact O-N 3.08Å; D254-S257 PolarHBondContact O-OG 2.84Å; S257-N259 PolarHBondContact O-N 2.82Å; S257-N259 PolarHBondContact OG-N 3.22Å; S257-F260 PolarHBondContact O-N 3.21Å; S257-F260 VanDerWaalsContact O-N 3.17Å; S257-F260 PolarHBondContact OG-N 2.8Å; S257-F260 VanDerWaalsContact OG-N 3.08Å; S257-S261 PolarHBondContact O-N 3.19Å
258	K	60.9	Low	73.4	Confident	83 Å²	83	56 Å²	56	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-56.4	-33.9	172.3	-55.6	-168.1	-160.8	-154.5	0	111.8	E141 S261 R262	E141-K258 IonicContact OE1-NZ 3.4Å; K258-S261 PolarHBondContact O-N 2.77Å; K258-R262 WeakPolarHBondContact O-CG 3.4Å; K258-R262 PolarHBondContact O-N 3.03Å; K258-R262 VanDerWaalsContact O-N 3.07Å
259	N	63.6	Low	72.1	Confident	26 Å²	26	56.6 Å²	56.6	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-36.7	-178.6	-64.1	-38.5	0	0	0	111.9	S257 L263 V332 V335	S257-N259 PolarHBondContact O-N 2.82Å; S257-N259 PolarHBondContact OG-N 3.22Å; N259-L263 WeakPolarHBondContact O-CB 3.35Å; N259-L263 PolarHBondContact O-N 2.8Å; N259-V332 HydrophobicContact CB-CG2 4.47Å; N259-V335 WeakPolarHBondContact ND2-CB 3.48Å; N259-V335 WeakPolarHBondContact ND2-CG1 3.5Å; N259-V335 WeakPolarHBondContact ND2-CG2 3.45Å
260	F	70.7	Confident	71.3	Confident	30 Å²	30	55.4 Å²	55.4	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-47.1	173.1	178.2	-102.2	0	0	0	111.8	I242 I253 D254 Q255 S257 R262 L263 V264	I242-F260 HydrophobicContact CD1-CE2 3.6Å; I242-F260 HydrophobicContact CD1-CZ 3.83Å; I242-F260 HydrophobicContact CG1-CE2 4.19Å; I242-F260 HydrophobicContact CG2-CE2 4.15Å; I253-F260 HydrophobicContact CG2-CB 4.01Å; I253-F260 HydrophobicContact CG2-CD2 3.67Å; I253-F260 HydrophobicContact CG2-CG 4.27Å; D254-F260 VanDerWaalsContact O-CB 3.25Å; D254-F260 WeakPolarHBondContact O-CB 3.31Å; Q255-F260 VanDerWaalsContact CA-CD1 3.5Å; Q255-F260 HydrophobicContact CB-CD1 3.99Å; Q255-F260 HydrophobicContact CB-CE1 3.84Å; Q255-F260 HydrophobicContact CB-CG 4.39Å; Q255-F260 HydrophobicContact CB-CZ 4.14Å; Q255-F260 HydrophobicContact CG-CD1 4.42Å; Q255-F260 HydrophobicContact CG-CD2 4.34Å; Q255-F260 HydrophobicContact CG-CE1 4.04Å; Q255-F260 HydrophobicContact CG-CE2 3.95Å; Q255-F260 HydrophobicContact CG-CZ 3.79Å; Q255-F260 WeakPolarHBondContact O-CD1 3.23Å; S257-F260 PolarHBondContact O-N 3.21Å; S257-F260 VanDerWaalsContact O-N 3.17Å; S257-F260 PolarHBondContact OG-N 2.8Å; S257-F260 VanDerWaalsContact OG-N 3.08Å; F260-R262 VanDerWaalsContact C-N 3.33Å; F260-R262 PolarHBondContact O-N 2.91Å; F260-L263 WeakPolarHBondContact O-CB 3.27Å; F260-L263 PolarHBondContact O-N 3.4Å; F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.49Å; F260-V264 HydrophobicContact CE1-CG2 3.8Å; F260-V264 HydrophobicContact CE2-CG2 4.09Å; F260-V264 HydrophobicContact CZ-CG2 3.72Å; F260-V264 WeakPolarHBondContact O-CG2 3.34Å; F260-V264 PolarHBondContact O-N 3.45Å
261	S	59.7	Low	70.5	Confident	66 Å²	66	48.8 Å²	48.8	46%	0.462	24%	0.241	S	C	.	.	H	α-helix	trans	-56.2	-47.9	177	-174.7	0	0	0	0	111.5	S257 K258 L263 V264 S265	S257-S261 PolarHBondContact O-N 3.19Å; K258-S261 PolarHBondContact O-N 2.77Å; S261-L263 PolarHBondContact O-N 2.87Å; S261-V264 PolarHBondContact O-N 2.95Å; S261-S265 PolarHBondContact O-N 2.86Å; S261-S265 VanDerWaalsContact O-N 3.08Å; S261-S265 PolarHBondContact O-OG 3.45Å
262	R	62.5	Low	69.3	Low	53 Å²	53	47.9 Å²	47.9	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-47.2	175.2	-71.8	177.5	-179.2	145	-2.7	112.3	K258 F260 V264 S265 H266	K258-R262 WeakPolarHBondContact O-CG 3.4Å; K258-R262 PolarHBondContact O-N 3.03Å; K258-R262 VanDerWaalsContact O-N 3.07Å; F260-R262 VanDerWaalsContact C-N 3.33Å; F260-R262 PolarHBondContact O-N 2.91Å; R262-V264 VanDerWaalsContact C-N 3.31Å; R262-V264 PolarHBondContact O-N 3.25Å; R262-S265 PolarHBondContact O-N 2.86Å; R262-H266 PolarHBondContact O-CD2 3.2Å; R262-H266 PolarHBondContact O-N 3.08Å
263	L	70.5	Confident	68.6	Low	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-55.6	-46.8	177.8	176.3	64.8	0	0	0	111.4	I245 I253 N259 F260 S261 S265 H266 L267 K329 V332	I245-L263 HydrophobicContact CD1-CD1 4.2Å; I245-L263 HydrophobicContact CD1-CD2 3.98Å; I253-L263 HydrophobicContact CD1-CD2 4.28Å; N259-L263 WeakPolarHBondContact O-CB 3.35Å; N259-L263 PolarHBondContact O-N 2.8Å; F260-L263 WeakPolarHBondContact O-CB 3.27Å; F260-L263 PolarHBondContact O-N 3.4Å; S261-L263 PolarHBondContact O-N 2.87Å; L263-S265 PolarHBondContact O-N 2.93Å; L263-H266 PolarHBondContact O-N 3.03Å; L263-L267 HydrophobicContact CD1-CD1 4.17Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 4.07Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.8Å; L263-K329 HydrophobicContact CD1-CG 4.48Å; L263-V332 HydrophobicContact CB-CG2 3.93Å; L263-V332 HydrophobicContact CD1-CG2 4.34Å; L263-V332 HydrophobicContact CD2-CG2 4.16Å; L263-V332 HydrophobicContact CG-CG2 4.35Å
264	V	68	Low	68.3	Low	30 Å²	30	41.1 Å²	41.1	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-48.2	177.8	169.7	0	0	0	0	110.6	I238 I242 F260 S261 R262 H266 L267 Q268	I238-V264 HydrophobicContact CG2-CG1 4.31Å; I238-V264 HydrophobicContact CG2-CG2 4.28Å; I242-V264 HydrophobicContact CD1-CG2 4.03Å; F260-V264 HydrophobicContact CD1-CG2 4.23Å; F260-V264 HydrophobicContact CD2-CG2 4.49Å; F260-V264 HydrophobicContact CE1-CG2 3.8Å; F260-V264 HydrophobicContact CE2-CG2 4.09Å; F260-V264 HydrophobicContact CZ-CG2 3.72Å; F260-V264 WeakPolarHBondContact O-CG2 3.34Å; F260-V264 PolarHBondContact O-N 3.45Å; S261-V264 PolarHBondContact O-N 2.95Å; R262-V264 VanDerWaalsContact C-N 3.31Å; R262-V264 PolarHBondContact O-N 3.25Å; V264-H266 PolarHBondContact O-N 3.46Å; V264-L267 PolarHBondContact O-N 2.82Å; V264-Q268 HydrophobicContact CG1-CG 4.39Å; V264-Q268 WeakPolarHBondContact O-CG 3.37Å; V264-Q268 PolarHBondContact O-N 3.05Å
265	S	57.3	Low	67.5	Low	5 Å²	5	41 Å²	41	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-45	178.1	-61.2	0	0	0	0	112.7	M166 S261 R262 L263 L267 Q268 Y269	M166-S265 WeakPolarHBondContact O-CB 3.38Å; M166-S265 PolarHBondContact O-OG 2.74Å; S261-S265 PolarHBondContact O-N 2.86Å; S261-S265 VanDerWaalsContact O-N 3.08Å; S261-S265 PolarHBondContact O-OG 3.45Å; R262-S265 PolarHBondContact O-N 2.86Å; L263-S265 PolarHBondContact O-N 2.93Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.24Å; S265-Q268 WeakPolarHBondContact O-CB 3.4Å; S265-Q268 PolarHBondContact O-N 2.85Å; S265-Y269 PolarHBondContact O-N 2.91Å
266	H	66.6	Low	66.7	Low	27 Å²	27	38.1 Å²	38.1	13%	0.125	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-37.5	177.9	-69.5	-64.5	0	0	0	112.2	R262 L263 V264 F270 Y324 H328	R262-H266 PolarHBondContact O-CD2 3.2Å; R262-H266 PolarHBondContact O-N 3.08Å; L263-H266 PolarHBondContact O-N 3.03Å; V264-H266 PolarHBondContact O-N 3.46Å; H266-F270 VanDerWaalsContact O-CB 3.31Å; H266-F270 WeakPolarHBondContact O-CB 3.18Å; H266-F270 PolarHBondContact O-N 2.91Å; H266-Y324 HydrophobicContact CB-CE1 4.46Å; H266-Y324 AromaticContact ND1-CZ 3.96Å; H266-Y324 PolarHBondContact ND1-OH 2.99Å; H266-H328 HydrophobicContact CB-CB 4.49Å; H266-H328 AromaticContact CD2-CD2 3.2Å; H266-H328 PolarHBondContact CD2-CD2 2.73Å; H266-H328 AromaticContact CD2-NE2 3.96Å; H266-H328 AromaticContact CE1-CD2 3.29Å; H266-H328 PolarHBondContact CE1-CD2 2.82Å; H266-H328 AromaticContact CE1-NE2 3.22Å; H266-H328 PolarHBondContact CE1-NE2 3.19Å; H266-H328 AromaticContact CG-CD2 3.31Å; H266-H328 AromaticContact CG-CG 3.89Å; H266-H328 AromaticContact CG-NE2 3.82Å; H266-H328 AromaticContact ND1-CD2 3.35Å; H266-H328 PolarHBondContact ND1-CD2 3.08Å; H266-H328 AromaticContact ND1-NE2 3.34Å; H266-H328 PolarHBondContact ND1-NE2 2.88Å; H266-H328 AromaticContact NE2-CD2 3.22Å; H266-H328 PolarHBondContact NE2-CD2 3.44Å; H266-H328 AromaticContact NE2-NE2 3.63Å
267	L	73.7	Confident	66.4	Low	2 Å²	2	34 Å²	34	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-69	-42	174.8	-68.5	175.8	0	0	0	112.1	I238 I241 I242 L263 V264 S265 Y269 F270 L271 L325	I238-L267 HydrophobicContact CD1-CB 4.37Å; I238-L267 HydrophobicContact CG1-CB 3.98Å; I238-L267 HydrophobicContact CG2-CD1 4.22Å; I241-L267 HydrophobicContact CB-CD1 4.17Å; I241-L267 HydrophobicContact CD1-CD2 4.16Å; I241-L267 HydrophobicContact CG2-CD1 3.55Å; I241-L267 HydrophobicContact CG2-CD2 3.72Å; I241-L267 HydrophobicContact CG2-CG 4.29Å; I242-L267 HydrophobicContact CG1-CD1 4.37Å; L263-L267 HydrophobicContact CD1-CD1 4.17Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 4.07Å; L263-L267 HydrophobicContact CG-CG 4.48Å; L263-L267 VanDerWaalsContact O-CG 3.27Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.8Å; V264-L267 PolarHBondContact O-N 2.82Å; S265-L267 VanDerWaalsContact C-N 3.31Å; S265-L267 PolarHBondContact O-N 3.24Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; L267-Y269 PolarHBondContact O-N 2.83Å; L267-F270 PolarHBondContact O-N 2.87Å; L267-L271 WeakPolarHBondContact O-CB 3.36Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.38Å; L267-L271 PolarHBondContact O-N 3.16Å; L267-L325 HydrophobicContact CD2-CD2 3.68Å
268	Q	63.6	Low	65.9	Low	61 Å²	61	34.9 Å²	34.9	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-55.4	-50.4	172.5	-74.4	179	-29.5	0	0	110.2	V234 I238 V264 S265 L271 I272	V234-Q268 HydrophobicContact CG1-CG 4.36Å; I238-Q268 HydrophobicContact CD1-CB 4.04Å; I238-Q268 HydrophobicContact CD1-CG 3.11Å; V264-Q268 HydrophobicContact CG1-CG 4.39Å; V264-Q268 WeakPolarHBondContact O-CG 3.37Å; V264-Q268 PolarHBondContact O-N 3.05Å; S265-Q268 WeakPolarHBondContact O-CB 3.4Å; S265-Q268 PolarHBondContact O-N 2.85Å; Q268-L271 PolarHBondContact O-N 2.87Å; Q268-I272 VanDerWaalsContact O-CB 3.32Å; Q268-I272 WeakPolarHBondContact O-CB 3.2Å; Q268-I272 WeakPolarHBondContact O-CD1 3.43Å; Q268-I272 VanDerWaalsContact O-CG1 3.27Å; Q268-I272 WeakPolarHBondContact O-CG1 3.37Å; Q268-I272 PolarHBondContact O-N 3.08Å
269	Y	64.4	Low	66	Low	41 Å²	41	40.1 Å²	40.1	16%	0.161	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-43.3	-177.8	-173.9	-141.8	0	0	0	112.5	F168 S265 L267 L271 I272 R273	F168-Y269 AromaticContact CD1-CD2 3.98Å; F168-Y269 HydrophobicContact CD1-CD2 3.98Å; F168-Y269 AromaticContact CD1-CG 3.96Å; F168-Y269 HydrophobicContact CD1-CG 3.96Å; F168-Y269 AromaticContact CE1-CD2 3.94Å; F168-Y269 HydrophobicContact CE1-CD2 3.94Å; F168-Y269 AromaticContact CE1-CG 3.91Å; F168-Y269 HydrophobicContact CE1-CG 3.91Å; S265-Y269 PolarHBondContact O-N 2.91Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; L267-Y269 PolarHBondContact O-N 2.83Å; Y269-L271 PolarHBondContact O-N 3.38Å; Y269-I272 HydrophobicContact CD2-CG2 4.25Å; Y269-I272 WeakPolarHBondContact O-CB 3.32Å; Y269-I272 PolarHBondContact O-N 3.3Å; Y269-R273 HydrophobicContact CD2-CG 4.26Å; Y269-R273 HydrophobicContact CE2-CG 3.83Å; Y269-R273 VanDerWaalsContact CG-NH1 3.32Å; Y269-R273 WeakPolarHBondContact O-CG 3.37Å; Y269-R273 PolarHBondContact O-N 2.7Å
270	F	72.2	Confident	65.9	Low	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-50.1	173.3	160	-96.7	0	0	0	111.1	H266 L267 I272 R273 Q274 I306 L309 P317 E321 Y324 L325	H266-F270 VanDerWaalsContact O-CB 3.31Å; H266-F270 WeakPolarHBondContact O-CB 3.18Å; H266-F270 PolarHBondContact O-N 2.91Å; L267-F270 PolarHBondContact O-N 2.87Å; F270-I272 PolarHBondContact O-N 2.97Å; F270-R273 WeakPolarHBondContact O-CB 3.37Å; F270-R273 PolarHBondContact O-N 2.8Å; F270-R273 VanDerWaalsContact O-N 3.12Å; F270-Q274 HydrophobicContact CD2-CG 4.3Å; F270-Q274 HydrophobicContact CE1-CG 4.28Å; F270-Q274 HydrophobicContact CE2-CG 3.82Å; F270-Q274 HydrophobicContact CZ-CG 3.8Å; F270-Q274 WeakPolarHBondContact O-CG 3.1Å; F270-Q274 PolarHBondContact O-N 3.41Å; F270-Q274 VanDerWaalsContact O-N 3.09Å; F270-I306 HydrophobicContact CE2-CD1 4.3Å; F270-I306 HydrophobicContact CZ-CD1 3.78Å; F270-L309 HydrophobicContact CE1-CD1 3.32Å; F270-L309 HydrophobicContact CZ-CD1 3.57Å; F270-P317 HydrophobicContact CE2-CB 3.96Å; F270-P317 HydrophobicContact CE2-CG 3.7Å; F270-P317 HydrophobicContact CZ-CB 4.39Å; F270-P317 HydrophobicContact CZ-CG 3.61Å; F270-E321 HydrophobicContact CD2-CB 4.35Å; F270-E321 WeakPolarHBondContact CD2-OE2 3.28Å; F270-E321 HydrophobicContact CE2-CB 4.01Å; F270-E321 HydrophobicContact CE2-CG 4.48Å; F270-Y324 HydrophobicContact CB-CE1 4.41Å; F270-L325 HydrophobicContact CB-CD2 4.38Å; F270-L325 HydrophobicContact CD1-CD1 4.47Å; F270-L325 HydrophobicContact CD1-CD2 4.26Å; F270-L325 HydrophobicContact CD2-CD1 4.31Å; F270-L325 HydrophobicContact CD2-CD2 4.42Å; F270-L325 HydrophobicContact CD2-CG 4.34Å; F270-L325 HydrophobicContact CE1-CD1 4.24Å; F270-L325 HydrophobicContact CE2-CD1 4.04Å; F270-L325 HydrophobicContact CG-CD2 4.08Å; F270-L325 HydrophobicContact CG-CG 4.48Å; F270-L325 HydrophobicContact CZ-CD1 4.01Å
271	L	72.6	Confident	65.1	Low	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-41.5	-178.5	-69.6	169.6	0	0	0	112.9	V234 I237 I238 I241 L267 Q268 Y269 R273 Q274 V275 L309	V234-L271 HydrophobicContact CG1-CB 4.23Å; V234-L271 HydrophobicContact CG1-CD1 3.76Å; V234-L271 HydrophobicContact CG2-CB 4.43Å; I237-L271 HydrophobicContact CB-CD1 3.85Å; I237-L271 HydrophobicContact CG2-CD1 3.5Å; I237-L271 VanDerWaalsContact CG2-CD1 3.5Å; I237-L271 HydrophobicContact CG2-CD2 3.58Å; I237-L271 HydrophobicContact CG2-CG 4.18Å; I238-L271 HydrophobicContact CD1-CD1 4.21Å; I238-L271 HydrophobicContact CG1-CD1 3.59Å; I241-L271 HydrophobicContact CD1-CD1 4.48Å; L267-L271 WeakPolarHBondContact O-CB 3.36Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.38Å; L267-L271 PolarHBondContact O-N 3.16Å; Q268-L271 PolarHBondContact O-N 2.87Å; Y269-L271 PolarHBondContact O-N 3.38Å; L271-R273 VanDerWaalsContact C-N 3.32Å; L271-R273 PolarHBondContact O-N 3.21Å; L271-Q274 PolarHBondContact O-N 3.18Å; L271-V275 WeakPolarHBondContact O-CG2 3.44Å; L271-V275 PolarHBondContact O-N 2.92Å; L271-L309 HydrophobicContact CD2-CD2 3.76Å
272	I	63.6	Low	65	Low	8 Å²	8	50.8 Å²	50.8	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-52.1	-50	170.5	-84.2	167.9	0	0	0	111.6	N224 Y225 Q268 Y269 F270 Q274 V275 K276	N224-I272 HydrophobicContact CB-CB 4.09Å; N224-I272 HydrophobicContact CB-CD1 3.72Å; N224-I272 HydrophobicContact CB-CG1 3.81Å; N224-I272 HydrophobicContact CB-CG2 3.23Å; N224-I272 WeakPolarHBondContact ND2-CG2 3.26Å; Y225-I272 HydrophobicContact CD1-CG1 4.17Å; Y225-I272 HydrophobicContact CD2-CD1 4.47Å; Y225-I272 HydrophobicContact CD2-CG1 4.48Å; Y225-I272 HydrophobicContact CE1-CD1 4.14Å; Y225-I272 HydrophobicContact CE1-CG1 3.34Å; Y225-I272 HydrophobicContact CE2-CD1 3.59Å; Y225-I272 HydrophobicContact CE2-CG1 3.76Å; Y225-I272 VanDerWaalsContact CZ-CD1 3.41Å; Y225-I272 VanDerWaalsContact OH-CD1 3.25Å; Y225-I272 WeakPolarHBondContact OH-CD1 3.32Å; Y225-I272 WeakPolarHBondContact OH-CG1 3.36Å; Q268-I272 VanDerWaalsContact O-CB 3.32Å; Q268-I272 WeakPolarHBondContact O-CB 3.2Å; Q268-I272 WeakPolarHBondContact O-CD1 3.43Å; Q268-I272 VanDerWaalsContact O-CG1 3.27Å; Q268-I272 WeakPolarHBondContact O-CG1 3.37Å; Q268-I272 PolarHBondContact O-N 3.08Å; Y269-I272 HydrophobicContact CD2-CG2 4.25Å; Y269-I272 WeakPolarHBondContact O-CB 3.32Å; Y269-I272 PolarHBondContact O-N 3.3Å; F270-I272 PolarHBondContact O-N 2.97Å; I272-Q274 VanDerWaalsContact C-N 3.25Å; I272-Q274 PolarHBondContact O-N 2.74Å; I272-V275 PolarHBondContact O-N 2.86Å; I272-K276 HydrophobicContact CG2-CD 4.32Å; I272-K276 WeakPolarHBondContact O-CG 3.39Å; I272-K276 PolarHBondContact O-N 2.88Å
273	R	69	Low	64.9	Low	4 Å²	4	50 Å²	50	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-40.4	-178.5	-74.4	-163.5	-58	-86.2	9.3	110.6	Y269 F270 L271 K276 G277 I278 E321	Y269-R273 HydrophobicContact CD2-CG 4.26Å; Y269-R273 HydrophobicContact CE2-CG 3.83Å; Y269-R273 VanDerWaalsContact CG-NH1 3.32Å; Y269-R273 WeakPolarHBondContact O-CG 3.37Å; Y269-R273 PolarHBondContact O-N 2.7Å; F270-R273 WeakPolarHBondContact O-CB 3.37Å; F270-R273 PolarHBondContact O-N 2.8Å; F270-R273 VanDerWaalsContact O-N 3.12Å; L271-R273 VanDerWaalsContact C-N 3.32Å; L271-R273 PolarHBondContact O-N 3.21Å; R273-K276 PolarHBondContact O-N 3.18Å; R273-G277 WeakPolarHBondContact O-CA 3.34Å; R273-G277 PolarHBondContact O-N 3.13Å; R273-I278 HydrophobicContact CB-CB 4.21Å; R273-I278 HydrophobicContact CG-CB 4.06Å; R273-I278 HydrophobicContact CG-CG2 4.22Å; R273-I278 PolarHBondContact O-N 3.01Å; R273-E321 IonicContact CZ-OE1 3.67Å; R273-E321 IonicContact CZ-OE2 3.51Å; R273-E321 IonicContact NE-OE1 3.22Å; R273-E321 PolarHBondContact NE-OE1 3.05Å; R273-E321 IonicContact NE-OE2 2.83Å; R273-E321 IonicContact NH2-OE1 2.8Å; R273-E321 PolarHBondContact NH2-OE1 2.95Å; R273-E321 IonicContact NH2-OE2 2.7Å; R273-E321 PolarHBondContact NH2-OE2 2.91Å
274	Q	73.6	Confident	64.8	Low	41 Å²	41	52.5 Å²	52.5	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-40.1	176.8	-58.5	-45.2	-58.7	0	0	112.5	F270 L271 I272 K276 V315 P317 E321	F270-Q274 HydrophobicContact CD2-CG 4.3Å; F270-Q274 HydrophobicContact CE1-CG 4.28Å; F270-Q274 HydrophobicContact CE2-CG 3.82Å; F270-Q274 HydrophobicContact CZ-CG 3.8Å; F270-Q274 WeakPolarHBondContact O-CG 3.1Å; F270-Q274 PolarHBondContact O-N 3.41Å; F270-Q274 VanDerWaalsContact O-N 3.09Å; L271-Q274 PolarHBondContact O-N 3.18Å; I272-Q274 VanDerWaalsContact C-N 3.25Å; I272-Q274 PolarHBondContact O-N 2.74Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-V315 HydrophobicContact CB-CG1 3.65Å; Q274-V315 HydrophobicContact CB-CG2 4.45Å; Q274-V315 HydrophobicContact CG-CG1 3.6Å; Q274-P317 HydrophobicContact CG-CG 4.26Å; Q274-E321 PolarHBondContact NE2-OE1 2.78Å
275	V	65.2	Low	65	Low	77 Å²	77	59.1 Å²	59.1	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-37.6	177.3	171.2	0	0	0	0	111.3	L271 I272	L271-V275 WeakPolarHBondContact O-CG2 3.44Å; L271-V275 PolarHBondContact O-N 2.92Å; I272-V275 PolarHBondContact O-N 2.86Å
276	K	59.9	Low	65.6	Low	65 Å²	65	64 Å²	64	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-93.5	-7	-174.9	-63.8	-176.8	110.9	-156.6	0	115	G222 S223 N224 I272 R273 Q274 I278	G222-K276 PolarHBondContact O-NZ 2.96Å; S223-K276 WeakPolarHBondContact O-CE 3.44Å; S223-K276 PolarHBondContact O-NZ 2.73Å; S223-K276 PolarHBondContact OG-NZ 3.2Å; N224-K276 VanDerWaalsContact CA-CE 3.46Å; N224-K276 HydrophobicContact CB-CD 4.01Å; N224-K276 WeakPolarHBondContact OD1-CD 3.36Å; N224-K276 VanDerWaalsContact OD1-CE 3.3Å; N224-K276 WeakPolarHBondContact OD1-CE 3.36Å; N224-K276 PolarHBondContact OD1-NZ 3.46Å; I272-K276 HydrophobicContact CG2-CD 4.32Å; I272-K276 WeakPolarHBondContact O-CG 3.39Å; I272-K276 PolarHBondContact O-N 2.88Å; R273-K276 PolarHBondContact O-N 3.18Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; K276-I278 HydrophobicContact CB-CD1 4Å; K276-I278 HydrophobicContact CB-CG1 3.87Å; K276-I278 HydrophobicContact CD-CD1 3.95Å; K276-I278 PolarHBondContact O-N 3.4Å
277	G	65.4	Low	65.1	Low	62 Å²	62	67.2 Å²	67.2	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	26.5	-173.1	0	0	0	0	0	113.7	R273 K279	R273-G277 WeakPolarHBondContact O-CA 3.34Å; R273-G277 PolarHBondContact O-N 3.13Å; G277-K279 PolarHBondContact O-N 3.07Å
278	I	61.9	Low	65.1	Low	40 Å²	40	68 Å²	68	21%	0.205	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-74.1	117.6	174.9	-62.4	169.5	0	0	0	107.6	R273 K276	R273-I278 HydrophobicContact CB-CB 4.21Å; R273-I278 HydrophobicContact CG-CB 4.06Å; R273-I278 HydrophobicContact CG-CG2 4.22Å; R273-I278 PolarHBondContact O-N 3.01Å; K276-I278 HydrophobicContact CB-CD1 4Å; K276-I278 HydrophobicContact CB-CG1 3.87Å; K276-I278 HydrophobicContact CD-CD1 3.95Å; K276-I278 PolarHBondContact O-N 3.4Å
279	K	61.1	Low	65.6	Low	193 Å²	193	73 Å²	73	84%	0.839	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-73.8	141.2	174.1	-69.9	-173.1	176.9	-174.6	0	110.5	G277	G277-K279 PolarHBondContact O-N 3.07Å
280	M	62.4	Low	65.9	Low	39 Å²	39	75.2 Å²	75.2	19%	0.192	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.5	158.7	168.1	-159	170.3	69.3	0	0	110.3	M283 E320 Y324	M280-M283 HydrophobicContact CE-CE 3.73Å; M280-M283 HydrophobicContact CE-SD 4.34Å; M280-E320 HydrophobicContact CE-CB 3.47Å; M280-E320 VanDerWaalsContact CE-CB 3.47Å; M280-E320 WeakPolarHBondContact CE-O 3.23Å; M280-Y324 HydrophobicContact SD-CD2 3.81Å; M280-Y324 HydrophobicContact SD-CG 3.89Å
281	M	54.1	Low	65.7	Low	166 Å²	166	75.7 Å²	75.7	82%	0.818	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58.2	139.4	168.1	-176.2	170.6	-176.3	0	0	110	M283	M281-M283 PolarHBondContact O-N 3.25Å
282	D	57.9	Low	65.9	Low	142 Å²	142	77.8 Å²	77.8	76%	0.759	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-60.4	133.1	176.7	-64.2	-30	0	0	0	110.1
283	M	59.8	Low	66.6	Low	35 Å²	35	83.1 Å²	83.1	17%	0.172	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-98.9	141.6	171.1	-72.6	-169.1	-67.7	0	0	109.8	M280 M281 M287 I288 E320 V323	M280-M283 HydrophobicContact CE-CE 3.73Å; M280-M283 HydrophobicContact CE-SD 4.34Å; M281-M283 PolarHBondContact O-N 3.25Å; M283-M287 HydrophobicContact CB-SD 4.39Å; M283-M287 HydrophobicContact CG-SD 4.07Å; M283-M287 HydrophobicContact SD-SD 3.95Å; M283-I288 HydrophobicContact CB-CD1 4.3Å; M283-I288 HydrophobicContact CB-CG1 4.03Å; M283-I288 HydrophobicContact CE-CG1 4.31Å; M283-E320 HydrophobicContact CB-CG 4.43Å; M283-E320 HydrophobicContact CE-CB 3.65Å; M283-E320 HydrophobicContact CE-CG 4.12Å; M283-E320 WeakPolarHBondContact CE-O 3.32Å; M283-V323 HydrophobicContact CE-CB 3.51Å; M283-V323 HydrophobicContact CE-CG1 3.4Å; M283-V323 HydrophobicContact CE-CG2 4.42Å; M283-V323 HydrophobicContact SD-CG1 3.93Å
284	S	68	Low	67	Low	58 Å²	58	88.6 Å²	88.6	41%	0.406	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-66.6	149	175.3	82.2	0	0	0	0	111	E286 M287 I288	S284-E286 WeakPolarHBondContact CB-OE2 3.25Å; S284-E286 PolarHBondContact O-N 2.84Å; S284-E286 PolarHBondContact OG-OE2 3.22Å; S284-E286 VanDerWaalsContact OG-OE2 3.14Å; S284-M287 WeakPolarHBondContact O-CB 3.47Å; S284-M287 PolarHBondContact O-N 3.39Å; S284-M287 PolarHBondContact OG-N 2.67Å; S284-I288 PolarHBondContact O-N 2.95Å; S284-I288 VanDerWaalsContact O-N 3.12Å
285	E	73.3	Confident	67.3	Low	169 Å²	169	89.7 Å²	89.7	79%	0.79	45%	0.452	S	S	*	.	H	α-helix	trans	-56.9	-34.6	177.5	-70.2	-174.5	178.6	0	0	111.9	M287 R289	E285-M287 PolarHBondContact O-N 2.85Å; E285-R289 WeakPolarHBondContact O-CB 3.18Å; E285-R289 PolarHBondContact O-N 3.32Å
286	E	69.4	Low	68.3	Low	108 Å²	108	91.6 Å²	91.6	51%	0.505	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.3	-61.7	85.8	-177.9	0	0	112.4	S284 R289 I290	S284-E286 WeakPolarHBondContact CB-OE2 3.25Å; S284-E286 PolarHBondContact O-N 2.84Å; S284-E286 PolarHBondContact OG-OE2 3.22Å; S284-E286 VanDerWaalsContact OG-OE2 3.14Å; E286-R289 PolarHBondContact O-N 3.11Å; E286-I290 VanDerWaalsContact O-CG1 3.26Å; E286-I290 WeakPolarHBondContact O-CG1 3.5Å; E286-I290 PolarHBondContact O-N 2.97Å
287	M	56.5	Low	69.5	Low	94 Å²	94	90.1 Å²	90.1	46%	0.463	45%	0.453	S	S	.	.	H	α-helix	trans	-66.3	-45.4	180	-173	-178.6	-69.1	0	0	110.9	M283 S284 E285 R289 I290 V291	M283-M287 HydrophobicContact CB-SD 4.39Å; M283-M287 HydrophobicContact CG-SD 4.07Å; M283-M287 HydrophobicContact SD-SD 3.95Å; S284-M287 WeakPolarHBondContact O-CB 3.47Å; S284-M287 PolarHBondContact O-N 3.39Å; S284-M287 PolarHBondContact OG-N 2.67Å; E285-M287 PolarHBondContact O-N 2.85Å; M287-R289 VanDerWaalsContact C-N 3.34Å; M287-R289 PolarHBondContact O-N 3.07Å; M287-I290 PolarHBondContact O-N 3.13Å; M287-V291 PolarHBondContact O-N 3.44Å; M287-V291 VanDerWaalsContact O-N 3.13Å
288	I	72.4	Confident	70.5	Confident	18 Å²	18	87.2 Å²	87.2	9%	0.092	42%	0.423	C	S	.	.	H	α-helix	trans	-56.8	-50.6	174.6	-67	175.3	0	0	0	109.6	M283 S284 I290 V291 L292 L319 E320 V323	M283-I288 HydrophobicContact CB-CD1 4.3Å; M283-I288 HydrophobicContact CB-CG1 4.03Å; M283-I288 HydrophobicContact CE-CG1 4.31Å; S284-I288 PolarHBondContact O-N 2.95Å; S284-I288 VanDerWaalsContact O-N 3.12Å; I288-I290 VanDerWaalsContact C-N 3.34Å; I288-I290 PolarHBondContact O-N 3.19Å; I288-V291 PolarHBondContact O-N 3.48Å; I288-L292 HydrophobicContact CG2-CD1 3.77Å; I288-L292 HydrophobicContact CG2-CG 4.19Å; I288-L292 VanDerWaalsContact O-CG 3.29Å; I288-L292 WeakPolarHBondContact O-CG 3.07Å; I288-L292 PolarHBondContact O-N 2.91Å; I288-L319 HydrophobicContact CD1-CD2 4.47Å; I288-L319 HydrophobicContact CG2-CD2 3.99Å; I288-L319 HydrophobicContact CG2-CG 4.46Å; I288-E320 HydrophobicContact CD1-CG 4.42Å; I288-V323 HydrophobicContact CG1-CG2 4.35Å; I288-V323 HydrophobicContact CG2-CG2 4.01Å
289	R	74.9	Confident	71.6	Confident	166 Å²	166	86.8 Å²	86.8	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-58.3	-43.1	-179.1	-172.8	-178.9	67.2	-154.5	-3.4	112.6	E285 E286 M287 L292 D293	E285-R289 WeakPolarHBondContact O-CB 3.18Å; E285-R289 PolarHBondContact O-N 3.32Å; E286-R289 PolarHBondContact O-N 3.11Å; M287-R289 VanDerWaalsContact C-N 3.34Å; M287-R289 PolarHBondContact O-N 3.07Å; R289-L292 PolarHBondContact O-N 2.89Å; R289-D293 WeakPolarHBondContact O-CB 3.48Å; R289-D293 PolarHBondContact O-N 3.49Å
290	I	69.7	Low	73	Confident	88 Å²	88	82.3 Å²	82.3	45%	0.451	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-45	178.9	-70.3	164.5	0	0	0	110.9	E286 M287 I288 D293 Q294	E286-I290 VanDerWaalsContact O-CG1 3.26Å; E286-I290 WeakPolarHBondContact O-CG1 3.5Å; E286-I290 PolarHBondContact O-N 2.97Å; M287-I290 PolarHBondContact O-N 3.13Å; I288-I290 VanDerWaalsContact C-N 3.34Å; I288-I290 PolarHBondContact O-N 3.19Å; I290-D293 PolarHBondContact O-N 3.24Å; I290-Q294 HydrophobicContact CG2-CG 4.45Å; I290-Q294 WeakPolarHBondContact O-CB 3.42Å; I290-Q294 WeakPolarHBondContact O-CG 3.36Å; I290-Q294 PolarHBondContact O-N 3.46Å
291	V	68.8	Low	74.3	Confident	10 Å²	10	80.5 Å²	80.5	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-44.4	178.9	168.5	0	0	0	0	111.3	M287 I288 D293 Y295 V323 T326 M327	M287-V291 PolarHBondContact O-N 3.44Å; M287-V291 VanDerWaalsContact O-N 3.13Å; I288-V291 PolarHBondContact O-N 3.48Å; V291-D293 VanDerWaalsContact C-N 3.34Å; V291-D293 PolarHBondContact O-N 2.9Å; V291-Y295 HydrophobicContact CG1-CD2 4.12Å; V291-Y295 WeakPolarHBondContact O-CB 3.48Å; V291-Y295 PolarHBondContact O-N 3.38Å; V291-V323 HydrophobicContact CB-CG1 3.95Å; V291-V323 HydrophobicContact CG1-CG1 3.76Å; V291-V323 HydrophobicContact CG2-CG1 4.07Å; V291-T326 HydrophobicContact CG1-CG2 3.78Å; V291-M327 HydrophobicContact CG1-CG 4.21Å; V291-M327 HydrophobicContact CG2-CG 4.02Å; V291-M327 HydrophobicContact CG2-SD 4.14Å
292	L	77.5	Confident	76	Confident	50 Å²	50	72.6 Å²	72.6	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-37.9	179.3	-65.7	-178.6	0	0	0	112.3	I288 R289 Q296 F299 V323	I288-L292 HydrophobicContact CG2-CD1 3.77Å; I288-L292 HydrophobicContact CG2-CG 4.19Å; I288-L292 VanDerWaalsContact O-CG 3.29Å; I288-L292 WeakPolarHBondContact O-CG 3.07Å; I288-L292 PolarHBondContact O-N 2.91Å; R289-L292 PolarHBondContact O-N 2.89Å; L292-Q296 WeakPolarHBondContact O-CG 3.33Å; L292-F299 HydrophobicContact CD2-CB 4.26Å; L292-F299 HydrophobicContact CD2-CD1 3.75Å; L292-F299 HydrophobicContact CD2-CD2 3.16Å; L292-F299 HydrophobicContact CD2-CE1 3.82Å; L292-F299 HydrophobicContact CD2-CE2 3.27Å; L292-F299 HydrophobicContact CD2-CG 3.43Å; L292-F299 VanDerWaalsContact CD2-CG 3.43Å; L292-F299 HydrophobicContact CD2-CZ 3.6Å; L292-V323 HydrophobicContact CD2-CG2 4.4Å
293	D	77.7	Confident	77.5	Confident	120 Å²	120	70.3 Å²	70.3	64%	0.642	34%	0.339	S	S	*	.	H	α-helix	trans	-73	-44.3	179.6	-165.5	51	0	0	0	112	R289 I290 V291	R289-D293 WeakPolarHBondContact O-CB 3.48Å; R289-D293 PolarHBondContact O-N 3.49Å; I290-D293 PolarHBondContact O-N 3.24Å; V291-D293 VanDerWaalsContact C-N 3.34Å; V291-D293 PolarHBondContact O-N 2.9Å
294	Q	76.7	Confident	79	Confident	120 Å²	120	74 Å²	74	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-75.7	-36.4	-177.9	-72.2	-173.6	-5.3	0	0	113.6	I290	I290-Q294 HydrophobicContact CG2-CG 4.45Å; I290-Q294 WeakPolarHBondContact O-CB 3.42Å; I290-Q294 WeakPolarHBondContact O-CG 3.36Å; I290-Q294 PolarHBondContact O-N 3.46Å
295	Y	81.6	Confident	80.1	Confident	64 Å²	64	71.2 Å²	71.2	25%	0.251	33%	0.334	S	S	.	.			trans	-120.6	41.2	-166.2	-51.5	-48.1	0	0	0	113.1	V291 S297 S298 F299 E330	V291-Y295 HydrophobicContact CG1-CD2 4.12Å; V291-Y295 WeakPolarHBondContact O-CB 3.48Å; V291-Y295 PolarHBondContact O-N 3.38Å; Y295-S297 VanDerWaalsContact C-N 3.32Å; Y295-S297 PolarHBondContact O-N 2.94Å; Y295-S298 PolarHBondContact O-N 3.48Å; Y295-F299 PolarHBondContact O-N 2.92Å; Y295-E330 HydrophobicContact CD1-CB 4.38Å; Y295-E330 HydrophobicContact CD1-CG 3.5Å; Y295-E330 VanDerWaalsContact CD1-CG 3.5Å; Y295-E330 HydrophobicContact CE1-CG 3.72Å; Y295-E330 HydrophobicContact CG-CB 4.34Å; Y295-E330 HydrophobicContact CG-CG 3.95Å
296	Q	85.7	Confident	80.9	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-50	-45.5	-177.3	-69.2	-178.5	-0.8	0	0	114	L292 F299 Q300	L292-Q296 WeakPolarHBondContact O-CG 3.33Å; Q296-F299 PolarHBondContact O-N 3.25Å; Q296-Q300 WeakPolarHBondContact O-CG 3.34Å; Q296-Q300 PolarHBondContact O-N 3.35Å
297	S	84.5	Confident	81.8	Confident	35 Å²	35	60.5 Å²	60.5	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-39.8	179.8	-178.1	0	0	0	0	112.1	H248 F249 Y295 F299 Q300 C301	H248-S297 PolarHBondContact NE2-O 3.33Å; F249-S297 WeakPolarHBondContact CE1-OG 3.16Å; Y295-S297 VanDerWaalsContact C-N 3.32Å; Y295-S297 PolarHBondContact O-N 2.94Å; S297-F299 VanDerWaalsContact C-N 3.33Å; S297-Q300 PolarHBondContact O-N 2.94Å; S297-C301 PolarHBondContact O-N 3.23Å; S297-C301 VanDerWaalsContact O-N 3.11Å
298	S	86.2	Confident	83.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-32.3	176	-70.9	0	0	0	0	112.6	Y295 C301 A302 E330	Y295-S298 PolarHBondContact O-N 3.48Å; S298-C301 WeakPolarHBondContact O-CB 3.46Å; S298-C301 PolarHBondContact O-N 3.12Å; S298-A302 PolarHBondContact O-N 2.85Å; S298-E330 WeakPolarHBondContact CB-OE2 3.34Å; S298-E330 WeakPolarHBondContact OG-CA 3.36Å; S298-E330 PolarHBondContact OG-OE2 3.15Å
299	F	86.4	Confident	84.2	Confident	31 Å²	31	56.7 Å²	56.7	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-46.5	172.1	-176	-107.7	0	0	0	111.4	L292 Y295 Q296 S297 C301 A302 E303 L319 E322 T326	L292-F299 HydrophobicContact CD2-CB 4.26Å; L292-F299 HydrophobicContact CD2-CD1 3.75Å; L292-F299 HydrophobicContact CD2-CD2 3.16Å; L292-F299 HydrophobicContact CD2-CE1 3.82Å; L292-F299 HydrophobicContact CD2-CE2 3.27Å; L292-F299 HydrophobicContact CD2-CG 3.43Å; L292-F299 VanDerWaalsContact CD2-CG 3.43Å; L292-F299 HydrophobicContact CD2-CZ 3.6Å; Y295-F299 PolarHBondContact O-N 2.92Å; Q296-F299 PolarHBondContact O-N 3.25Å; S297-F299 VanDerWaalsContact C-N 3.33Å; F299-C301 PolarHBondContact O-N 2.88Å; F299-C301 VanDerWaalsContact O-N 3.14Å; F299-A302 CarbonylContact O-C 3.49Å; F299-A302 WeakPolarHBondContact O-CA 3.47Å; F299-A302 VanDerWaalsContact O-CB 3.27Å; F299-A302 WeakPolarHBondContact O-CB 3.46Å; F299-A302 PolarHBondContact O-N 3.32Å; F299-E303 HydrophobicContact CD1-CG 4.17Å; F299-E303 HydrophobicContact CE1-CG 3.76Å; F299-E303 HydrophobicContact CZ-CG 3.98Å; F299-E303 PolarHBondContact O-N 3.1Å; F299-L319 HydrophobicContact CE2-CD1 4.2Å; F299-L319 HydrophobicContact CZ-CD1 4.19Å; F299-E322 HydrophobicContact CE2-CB 4.06Å; F299-T326 WeakPolarHBondContact CA-OG1 3.49Å; F299-T326 HydrophobicContact CB-CG2 3.96Å; F299-T326 WeakPolarHBondContact CD2-OG1 3.39Å
300	Q	89.6	Confident	84.8	Confident	100 Å²	100	51.7 Å²	51.7	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-30.3	173.7	-69.5	172.2	-3.6	0	0	112.6	Q296 S297 K304	Q296-Q300 WeakPolarHBondContact O-CG 3.34Å; Q296-Q300 PolarHBondContact O-N 3.35Å; S297-Q300 PolarHBondContact O-N 2.94Å; Q300-K304 WeakPolarHBondContact O-CG 3.22Å; Q300-K304 PolarHBondContact O-N 2.86Å
301	C	90.7	Very high	85.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.6	-39.8	171.4	-170.5	0	0	0	0	112.1	H248 F249 S297 S298 F299 K304 V305 K329	H248-C301 HydrophobicContact CB-CB 4.35Å; H248-C301 PolarHBondContact CE1-N 3.49Å; F249-C301 HydrophobicContact CE2-CB 3.88Å; F249-C301 HydrophobicContact CZ-CB 3.73Å; S297-C301 PolarHBondContact O-N 3.23Å; S297-C301 VanDerWaalsContact O-N 3.11Å; S298-C301 WeakPolarHBondContact O-CB 3.46Å; S298-C301 PolarHBondContact O-N 3.12Å; F299-C301 PolarHBondContact O-N 2.88Å; F299-C301 VanDerWaalsContact O-N 3.14Å; C301-K304 PolarHBondContact O-N 2.9Å; C301-V305 PolarHBondContact O-N 2.84Å; C301-V305 VanDerWaalsContact O-N 3.17Å; C301-K329 HydrophobicContact CB-CD 4.26Å; C301-K329 PolarHBondContact O-NZ 3.11Å
302	A	88.6	Confident	86.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-48	171.1	0	0	0	0	0	111.9	S298 F299 K304 V305 I306 E322 L325 T326 K329	S298-A302 PolarHBondContact O-N 2.85Å; F299-A302 CarbonylContact O-C 3.49Å; F299-A302 WeakPolarHBondContact O-CA 3.47Å; F299-A302 VanDerWaalsContact O-CB 3.27Å; F299-A302 WeakPolarHBondContact O-CB 3.46Å; F299-A302 PolarHBondContact O-N 3.32Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.3Å; A302-V305 WeakPolarHBondContact O-CA 3.31Å; A302-V305 WeakPolarHBondContact O-CB 3.42Å; A302-V305 PolarHBondContact O-N 3.18Å; A302-I306 PolarHBondContact O-N 2.77Å; A302-E322 WeakPolarHBondContact CB-O 3.35Å; A302-L325 HydrophobicContact CB-CB 4.13Å; A302-T326 WeakPolarHBondContact CB-OG1 3.28Å; A302-K329 VanDerWaalsContact CA-NZ 3.26Å
303	E	90.1	Very high	86.5	Confident	95 Å²	95	59.8 Å²	59.8	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-42.8	176.7	-68.6	-176.9	114.1	0	0	112.2	F299 V305 I306 G307	F299-E303 HydrophobicContact CD1-CG 4.17Å; F299-E303 HydrophobicContact CE1-CG 3.76Å; F299-E303 HydrophobicContact CZ-CG 3.98Å; F299-E303 PolarHBondContact O-N 3.1Å; E303-V305 VanDerWaalsContact C-N 3.33Å; E303-V305 PolarHBondContact O-N 3Å; E303-I306 PolarHBondContact O-N 2.86Å; E303-G307 PolarHBondContact O-N 2.86Å
304	K	91.6	Very high	86.7	Confident	111 Å²	111	60.3 Å²	60.3	48%	0.483	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-38.5	176	-72.2	-178.4	-167	172.4	0	112.5	I244 H248 Q300 C301 A302 Y308	I244-K304 HydrophobicContact CG2-CB 3.93Å; H248-K304 WeakPolarHBondContact ND1-CD 3.39Å; H248-K304 WeakPolarHBondContact ND1-CE 3.28Å; H248-K304 PolarHBondContact ND1-NZ 3.3Å; Q300-K304 WeakPolarHBondContact O-CG 3.22Å; Q300-K304 PolarHBondContact O-N 2.86Å; C301-K304 PolarHBondContact O-N 2.9Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.3Å; K304-Y308 WeakPolarHBondContact O-CB 3.39Å; K304-Y308 PolarHBondContact O-N 2.9Å
305	V	90.9	Very high	86.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-43.7	177.1	165.1	0	0	0	0	110.9	I241 I244 C301 A302 E303 Y308 L309 L325	I241-V305 HydrophobicContact CD1-CG1 3.91Å; I241-V305 HydrophobicContact CG1-CG1 3.87Å; I241-V305 HydrophobicContact CG2-CG1 3.96Å; I241-V305 HydrophobicContact CG2-CG2 3.79Å; I244-V305 HydrophobicContact CB-CG2 4.25Å; I244-V305 HydrophobicContact CG2-CG2 3.82Å; C301-V305 PolarHBondContact O-N 2.84Å; C301-V305 VanDerWaalsContact O-N 3.17Å; A302-V305 WeakPolarHBondContact O-CA 3.31Å; A302-V305 WeakPolarHBondContact O-CB 3.42Å; A302-V305 PolarHBondContact O-N 3.18Å; E303-V305 VanDerWaalsContact C-N 3.33Å; E303-V305 PolarHBondContact O-N 3Å; V305-Y308 WeakPolarHBondContact O-CB 3.29Å; V305-Y308 PolarHBondContact O-N 2.88Å; V305-L309 HydrophobicContact CG1-CD1 3.91Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.45Å; V305-L309 PolarHBondContact O-N 2.96Å; V305-L325 HydrophobicContact CG1-CD1 4.18Å
306	I	89	Confident	86.7	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.062	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-41.2	174.8	-64.1	-38.2	0	0	0	111.7	F270 A302 E303 Y308 L309 N310 P317 E322 L325	F270-I306 HydrophobicContact CE2-CD1 4.3Å; F270-I306 HydrophobicContact CZ-CD1 3.78Å; A302-I306 PolarHBondContact O-N 2.77Å; E303-I306 PolarHBondContact O-N 2.86Å; I306-Y308 VanDerWaalsContact C-N 3.3Å; I306-Y308 PolarHBondContact O-N 3.01Å; I306-L309 HydrophobicContact CD1-CD1 3.94Å; I306-L309 PolarHBondContact O-N 2.81Å; I306-L309 VanDerWaalsContact O-N 3.17Å; I306-N310 VanDerWaalsContact O-CB 3.32Å; I306-N310 WeakPolarHBondContact O-CB 3.24Å; I306-N310 PolarHBondContact O-N 3.3Å; I306-P317 HydrophobicContact CD1-CB 4.45Å; I306-P317 HydrophobicContact CD1-CG 3.72Å; I306-E322 HydrophobicContact CB-CG 4.33Å; I306-E322 HydrophobicContact CD1-CG 4.4Å; I306-E322 HydrophobicContact CG1-CG 3.41Å; I306-E322 VanDerWaalsContact CG1-CG 3.41Å; I306-E322 WeakPolarHBondContact CG2-OE1 3.37Å; I306-L325 HydrophobicContact CD1-CD1 3.59Å; I306-L325 HydrophobicContact CG1-CD1 4.41Å
307	G	90	Very high	86.3	Confident	41 Å²	41	55.2 Å²	55.2	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-41.6	174.4	0	0	0	0	0	112.6	E303 K311	E303-G307 PolarHBondContact O-N 2.86Å; G307-K311 VanDerWaalsContact O-CB 3.31Å; G307-K311 WeakPolarHBondContact O-CB 3.21Å; G307-K311 PolarHBondContact O-N 2.83Å
308	Y	91.5	Very high	86.1	Confident	31 Å²	31	56.9 Å²	56.9	12%	0.122	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-49.1	172.6	160.8	-99.3	0	0	0	111.9	I237 E240 I241 I244 K304 V305 I306 N310 K311 V312 H313	I237-Y308 HydrophobicContact CG2-CE1 4.22Å; E240-Y308 HydrophobicContact CB-CE1 4.18Å; E240-Y308 HydrophobicContact CB-CE2 4.19Å; E240-Y308 WeakPolarHBondContact OE2-CE2 3.48Å; E240-Y308 PolarHBondContact OE2-OH 3.15Å; I241-Y308 HydrophobicContact CG1-CD1 4.35Å; I241-Y308 HydrophobicContact CG1-CE1 4.31Å; I244-Y308 HydrophobicContact CD1-CD1 3.9Å; I244-Y308 HydrophobicContact CD1-CD2 4.1Å; I244-Y308 HydrophobicContact CD1-CG 3.55Å; K304-Y308 WeakPolarHBondContact O-CB 3.39Å; K304-Y308 PolarHBondContact O-N 2.9Å; V305-Y308 WeakPolarHBondContact O-CB 3.29Å; V305-Y308 PolarHBondContact O-N 2.88Å; I306-Y308 VanDerWaalsContact C-N 3.3Å; I306-Y308 PolarHBondContact O-N 3.01Å; Y308-N310 PolarHBondContact O-N 2.89Å; Y308-K311 PolarHBondContact O-N 3.37Å; Y308-V312 HydrophobicContact CD2-CG2 3.78Å; Y308-V312 HydrophobicContact CE2-CB 4.06Å; Y308-V312 HydrophobicContact CE2-CG1 4.41Å; Y308-V312 HydrophobicContact CE2-CG2 3.56Å; Y308-V312 WeakPolarHBondContact O-CG2 3.23Å; Y308-V312 PolarHBondContact O-N 2.82Å; Y308-H313 PolarHBondContact OH-NE2 2.78Å
309	L	87.5	Confident	85.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-40.1	-178.8	-69.5	166.7	0	0	0	112.8	I237 I241 F270 L271 V305 I306 H313 N314 V315	I237-L309 HydrophobicContact CG2-CD2 3.58Å; I241-L309 HydrophobicContact CD1-CD1 4.39Å; I241-L309 HydrophobicContact CD1-CD2 4.28Å; F270-L309 HydrophobicContact CE1-CD1 3.32Å; F270-L309 HydrophobicContact CZ-CD1 3.57Å; L271-L309 HydrophobicContact CD2-CD2 3.76Å; V305-L309 HydrophobicContact CG1-CD1 3.91Å; V305-L309 VanDerWaalsContact O-CG 3.27Å; V305-L309 WeakPolarHBondContact O-CG 3.45Å; V305-L309 PolarHBondContact O-N 2.96Å; I306-L309 HydrophobicContact CD1-CD1 3.94Å; I306-L309 PolarHBondContact O-N 2.81Å; I306-L309 VanDerWaalsContact O-N 3.17Å; L309-H313 CarbonylContact O-C 3.49Å; L309-H313 VanDerWaalsContact O-CA 3.3Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.45Å; L309-H313 PolarHBondContact O-N 2.83Å; L309-N314 PolarHBondContact O-N 3.02Å; L309-N314 VanDerWaalsContact O-N 3.16Å; L309-V315 HydrophobicContact CB-CB 4.35Å; L309-V315 PolarHBondContact O-N 2.69Å
310	N	86.1	Confident	85.4	Confident	61 Å²	61	61.3 Å²	61.3	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-44.2	174.9	-176.1	19.3	0	0	0	110.8	I306 Y308 N314 V315 K316	I306-N310 VanDerWaalsContact O-CB 3.32Å; I306-N310 WeakPolarHBondContact O-CB 3.24Å; I306-N310 PolarHBondContact O-N 3.3Å; Y308-N310 PolarHBondContact O-N 2.89Å; N310-N314 VanDerWaalsContact O-CA 3.25Å; N310-N314 WeakPolarHBondContact O-CA 3.42Å; N310-N314 PolarHBondContact O-N 3Å; N310-N314 VanDerWaalsContact O-N 3.11Å; N310-V315 WeakPolarHBondContact CA-O 3.19Å; N310-V315 WeakPolarHBondContact CB-O 3.22Å; N310-V315 PolarHBondContact N-O 3.42Å; N310-K316 HydrophobicContact CB-CG 4.45Å; N310-K316 WeakPolarHBondContact OD1-CE 3.37Å; N310-K316 WeakPolarHBondContact OD1-CG 3.45Å
311	K	87.4	Confident	84.9	Confident	184 Å²	184	56.6 Å²	56.6	80%	0.8	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-41.5	-179.1	-174.2	179.7	179.6	-177	0	113.5	G307 Y308	G307-K311 VanDerWaalsContact O-CB 3.31Å; G307-K311 WeakPolarHBondContact O-CB 3.21Å; G307-K311 PolarHBondContact O-N 2.83Å; Y308-K311 PolarHBondContact O-N 3.37Å
312	V	85	Confident	84.3	Confident	80 Å²	80	58.2 Å²	58.2	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-97.2	-31.8	-170.5	-176.7	0	0	0	0	112.3	Y308	Y308-V312 HydrophobicContact CD2-CG2 3.78Å; Y308-V312 HydrophobicContact CE2-CB 4.06Å; Y308-V312 HydrophobicContact CE2-CG1 4.41Å; Y308-V312 HydrophobicContact CE2-CG2 3.56Å; Y308-V312 WeakPolarHBondContact O-CG2 3.23Å; Y308-V312 PolarHBondContact O-N 2.82Å
313	H	80.5	Confident	83.9	Confident	53 Å²	53	58.2 Å²	58.2	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-121.6	-0.4	-173.5	-58.3	-74.5	0	0	0	114	I237 Y308 L309 V315	I237-H313 VanDerWaalsContact CD1-CE1 3.5Å; I237-H313 WeakPolarHBondContact CD1-CE1 3.41Å; I237-H313 VanDerWaalsContact CG1-CE1 3.48Å; I237-H313 WeakPolarHBondContact CG1-CE1 3.4Å; I237-H313 VanDerWaalsContact CG1-NE2 3.32Å; I237-H313 WeakPolarHBondContact CG1-NE2 3.47Å; Y308-H313 PolarHBondContact OH-NE2 2.78Å; L309-H313 CarbonylContact O-C 3.49Å; L309-H313 VanDerWaalsContact O-CA 3.3Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.45Å; L309-H313 PolarHBondContact O-N 2.83Å; H313-V315 HydrophobicContact CB-CG2 3.97Å; H313-V315 PolarHBondContact O-N 3.39Å
314	N	80.4	Confident	83	Confident	132 Å²	132	55.2 Å²	55.2	71%	0.706	28%	0.282	S	S	*	.			trans	55.6	32.7	-177	-165.2	45.5	0	0	0	113.3	L309 N310	L309-N314 PolarHBondContact O-N 3.02Å; L309-N314 VanDerWaalsContact O-N 3.16Å; N310-N314 VanDerWaalsContact O-CA 3.25Å; N310-N314 WeakPolarHBondContact O-CA 3.42Å; N310-N314 PolarHBondContact O-N 3Å; N310-N314 VanDerWaalsContact O-N 3.11Å
315	V	78.6	Confident	82.4	Confident	30 Å²	30	50 Å²	50	18%	0.182	26%	0.26	C	S	.	.			trans	-96.2	125.9	177.9	171.9	0	0	0	0	109	Q274 L309 N310 H313 P317	Q274-V315 HydrophobicContact CB-CG1 3.65Å; Q274-V315 HydrophobicContact CB-CG2 4.45Å; Q274-V315 HydrophobicContact CG-CG1 3.6Å; L309-V315 HydrophobicContact CB-CB 4.35Å; L309-V315 PolarHBondContact O-N 2.69Å; N310-V315 WeakPolarHBondContact CA-O 3.19Å; N310-V315 WeakPolarHBondContact CB-O 3.22Å; N310-V315 PolarHBondContact N-O 3.42Å; H313-V315 HydrophobicContact CB-CG2 3.97Å; H313-V315 PolarHBondContact O-N 3.39Å; V315-P317 HydrophobicContact CG1-CG 3.8Å
316	K	81.1	Confident	81.8	Confident	152 Å²	152	50 Å²	50	66%	0.661	26%	0.26	S	S	*	.			trans	-125	80.7	178.3	-67.9	-178.3	-176.9	178.5	0	109.7	N310	N310-K316 HydrophobicContact CB-CG 4.45Å; N310-K316 WeakPolarHBondContact OD1-CE 3.37Å; N310-K316 WeakPolarHBondContact OD1-CG 3.45Å
317	P	77	Confident	80.9	Confident	11 Å²	11	53.5 Å²	53.5	7%	0.071	28%	0.277	C	S	.	.			trans	-64.8	151.2	177.8	-16	33.4	0	0	0	109.9	F270 Q274 I306 V315 E321	F270-P317 HydrophobicContact CE2-CB 3.96Å; F270-P317 HydrophobicContact CE2-CG 3.7Å; F270-P317 HydrophobicContact CZ-CB 4.39Å; F270-P317 HydrophobicContact CZ-CG 3.61Å; Q274-P317 HydrophobicContact CG-CG 4.26Å; I306-P317 HydrophobicContact CD1-CB 4.45Å; I306-P317 HydrophobicContact CD1-CG 3.72Å; V315-P317 HydrophobicContact CG1-CG 3.8Å; P317-E321 HydrophobicContact CB-CB 3.5Å; P317-E321 HydrophobicContact CB-CG 3.92Å
318	P	81.2	Confident	79.8	Confident	70 Å²	70	53.7 Å²	53.7	46%	0.455	27%	0.267	S	S	.	.			trans	-71.9	167.6	173.9	37.3	-41.4	0	0	0	111	E320 E321 E322	P318-E320 VanDerWaalsContact CB-OE2 3.23Å; P318-E320 WeakPolarHBondContact CB-OE2 3.33Å; P318-E320 PolarHBondContact O-N 3.05Å; P318-E320 VanDerWaalsContact O-N 3.11Å; P318-E321 HydrophobicContact CG-CG 4.03Å; P318-E321 WeakPolarHBondContact O-CB 3.41Å; P318-E321 PolarHBondContact O-N 3.24Å; P318-E322 PolarHBondContact O-N 3.22Å
319	L	81.2	Confident	78.8	Confident	73 Å²	73	52.2 Å²	52.2	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-56.7	-32	-174.1	178	62.2	0	0	0	112.5	I288 F299 E321 E322 V323	I288-L319 HydrophobicContact CD1-CD2 4.47Å; I288-L319 HydrophobicContact CG2-CD2 3.99Å; I288-L319 HydrophobicContact CG2-CG 4.46Å; F299-L319 HydrophobicContact CE2-CD1 4.2Å; F299-L319 HydrophobicContact CZ-CD1 4.19Å; L319-E321 PolarHBondContact O-N 3.21Å; L319-E322 HydrophobicContact CD1-CB 4.43Å; L319-E322 WeakPolarHBondContact O-CB 3.11Å; L319-E322 PolarHBondContact O-N 3.31Å; L319-E322 VanDerWaalsContact O-N 3.11Å; L319-V323 HydrophobicContact CD1-CG2 4.42Å; L319-V323 HydrophobicContact CG-CG2 4.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 3.34Å
320	E	76.6	Confident	78	Confident	50 Å²	50	53 Å²	53	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-38.7	178.1	-62	82.1	-178.5	0	0	111	M280 M283 I288 P318 V323 Y324	M280-E320 HydrophobicContact CE-CB 3.47Å; M280-E320 VanDerWaalsContact CE-CB 3.47Å; M280-E320 WeakPolarHBondContact CE-O 3.23Å; M283-E320 HydrophobicContact CB-CG 4.43Å; M283-E320 HydrophobicContact CE-CB 3.65Å; M283-E320 HydrophobicContact CE-CG 4.12Å; M283-E320 WeakPolarHBondContact CE-O 3.32Å; I288-E320 HydrophobicContact CD1-CG 4.42Å; P318-E320 VanDerWaalsContact CB-OE2 3.23Å; P318-E320 WeakPolarHBondContact CB-OE2 3.33Å; P318-E320 PolarHBondContact O-N 3.05Å; P318-E320 VanDerWaalsContact O-N 3.11Å; E320-V323 PolarHBondContact O-N 3.01Å; E320-Y324 WeakPolarHBondContact O-CB 3.39Å; E320-Y324 PolarHBondContact O-N 2.88Å
321	E	77.3	Confident	77.1	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-33.6	176.8	-69.1	-75.3	-167.4	0	0	112.1	F270 R273 Q274 P317 P318 L319 Y324 L325	F270-E321 HydrophobicContact CD2-CB 4.35Å; F270-E321 WeakPolarHBondContact CD2-OE2 3.28Å; F270-E321 HydrophobicContact CE2-CB 4.01Å; F270-E321 HydrophobicContact CE2-CG 4.48Å; R273-E321 IonicContact CZ-OE1 3.67Å; R273-E321 IonicContact CZ-OE2 3.51Å; R273-E321 IonicContact NE-OE1 3.22Å; R273-E321 PolarHBondContact NE-OE1 3.05Å; R273-E321 IonicContact NE-OE2 2.83Å; R273-E321 IonicContact NH2-OE1 2.8Å; R273-E321 PolarHBondContact NH2-OE1 2.95Å; R273-E321 IonicContact NH2-OE2 2.7Å; R273-E321 PolarHBondContact NH2-OE2 2.91Å; Q274-E321 PolarHBondContact NE2-OE1 2.78Å; P317-E321 HydrophobicContact CB-CB 3.5Å; P317-E321 HydrophobicContact CB-CG 3.92Å; P318-E321 HydrophobicContact CG-CG 4.03Å; P318-E321 WeakPolarHBondContact O-CB 3.41Å; P318-E321 PolarHBondContact O-N 3.24Å; L319-E321 PolarHBondContact O-N 3.21Å; E321-Y324 PolarHBondContact O-N 3.23Å; E321-L325 WeakPolarHBondContact O-CG 3.49Å; E321-L325 PolarHBondContact O-N 3.49Å
322	E	79.8	Confident	76.1	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.159	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-43.3	172	-74.8	177.8	-179.7	0	0	111.6	F299 A302 I306 P318 L319 L325 T326	F299-E322 HydrophobicContact CE2-CB 4.06Å; A302-E322 WeakPolarHBondContact CB-O 3.35Å; I306-E322 HydrophobicContact CB-CG 4.33Å; I306-E322 HydrophobicContact CD1-CG 4.4Å; I306-E322 HydrophobicContact CG1-CG 3.41Å; I306-E322 VanDerWaalsContact CG1-CG 3.41Å; I306-E322 WeakPolarHBondContact CG2-OE1 3.37Å; P318-E322 PolarHBondContact O-N 3.22Å; L319-E322 HydrophobicContact CD1-CB 4.43Å; L319-E322 WeakPolarHBondContact O-CB 3.11Å; L319-E322 PolarHBondContact O-N 3.31Å; L319-E322 VanDerWaalsContact O-N 3.11Å; E322-L325 PolarHBondContact O-N 2.93Å; E322-T326 WeakPolarHBondContact O-CB 3.42Å; E322-T326 PolarHBondContact O-N 3.37Å; E322-T326 PolarHBondContact O-OG1 2.77Å
323	V	78.4	Confident	75.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-41.4	176.2	170.2	0	0	0	0	110.6	M283 I288 V291 L292 L319 E320 L325 T326 M327	M283-V323 HydrophobicContact CE-CB 3.51Å; M283-V323 HydrophobicContact CE-CG1 3.4Å; M283-V323 HydrophobicContact CE-CG2 4.42Å; M283-V323 HydrophobicContact SD-CG1 3.93Å; I288-V323 HydrophobicContact CG1-CG2 4.35Å; I288-V323 HydrophobicContact CG2-CG2 4.01Å; V291-V323 HydrophobicContact CB-CG1 3.95Å; V291-V323 HydrophobicContact CG1-CG1 3.76Å; V291-V323 HydrophobicContact CG2-CG1 4.07Å; L292-V323 HydrophobicContact CD2-CG2 4.4Å; L319-V323 HydrophobicContact CD1-CG2 4.42Å; L319-V323 HydrophobicContact CG-CG2 4.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 3.34Å; E320-V323 PolarHBondContact O-N 3.01Å; V323-L325 PolarHBondContact O-N 3.45Å; V323-T326 VanDerWaalsContact O-CB 3.28Å; V323-T326 WeakPolarHBondContact O-CB 3.44Å; V323-T326 PolarHBondContact O-N 3.08Å; V323-T326 VanDerWaalsContact O-N 3.13Å; V323-M327 WeakPolarHBondContact O-CG 3.47Å; V323-M327 PolarHBondContact O-N 3.42Å
324	Y	72.2	Confident	74.9	Confident	32 Å²	32	50.3 Å²	50.3	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-50.2	172.1	173.5	-92.5	0	0	0	111.2	H266 F270 M280 E320 E321 T326 M327 H328	H266-Y324 HydrophobicContact CB-CE1 4.46Å; H266-Y324 AromaticContact ND1-CZ 3.96Å; H266-Y324 PolarHBondContact ND1-OH 2.99Å; F270-Y324 HydrophobicContact CB-CE1 4.41Å; M280-Y324 HydrophobicContact SD-CD2 3.81Å; M280-Y324 HydrophobicContact SD-CG 3.89Å; E320-Y324 WeakPolarHBondContact O-CB 3.39Å; E320-Y324 PolarHBondContact O-N 2.88Å; E321-Y324 PolarHBondContact O-N 3.23Å; Y324-T326 VanDerWaalsContact C-N 3.26Å; Y324-T326 PolarHBondContact O-N 3.49Å; Y324-M327 PolarHBondContact O-N 3.44Å; Y324-H328 AromaticContact CD2-CE1 3.45Å; Y324-H328 VanDerWaalsContact CD2-CE1 3.45Å; Y324-H328 WeakPolarHBondContact CD2-CE1 3.45Å; Y324-H328 AromaticContact CD2-ND1 3.82Å; Y324-H328 AromaticContact CE1-ND1 3.93Å; Y324-H328 AromaticContact CE2-CE1 3.13Å; Y324-H328 WeakPolarHBondContact CE2-CE1 3.33Å; Y324-H328 AromaticContact CE2-ND1 3.73Å; Y324-H328 AromaticContact CE2-NE2 3.9Å; Y324-H328 AromaticContact CG-ND1 3.96Å; Y324-H328 AromaticContact CZ-CE1 3.48Å; Y324-H328 VanDerWaalsContact CZ-CE1 3.48Å; Y324-H328 AromaticContact CZ-ND1 3.78Å; Y324-H328 PolarHBondContact O-N 3.41Å; Y324-H328 PolarHBondContact O-ND1 2.83Å
325	L	78.5	Confident	74	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-36	176	-72.8	175.8	0	0	0	112.3	L267 F270 A302 V305 I306 E321 E322 V323 K329	L267-L325 HydrophobicContact CD2-CD2 3.68Å; F270-L325 HydrophobicContact CB-CD2 4.38Å; F270-L325 HydrophobicContact CD1-CD1 4.47Å; F270-L325 HydrophobicContact CD1-CD2 4.26Å; F270-L325 HydrophobicContact CD2-CD1 4.31Å; F270-L325 HydrophobicContact CD2-CD2 4.42Å; F270-L325 HydrophobicContact CD2-CG 4.34Å; F270-L325 HydrophobicContact CE1-CD1 4.24Å; F270-L325 HydrophobicContact CE2-CD1 4.04Å; F270-L325 HydrophobicContact CG-CD2 4.08Å; F270-L325 HydrophobicContact CG-CG 4.48Å; F270-L325 HydrophobicContact CZ-CD1 4.01Å; A302-L325 HydrophobicContact CB-CB 4.13Å; V305-L325 HydrophobicContact CG1-CD1 4.18Å; I306-L325 HydrophobicContact CD1-CD1 3.59Å; I306-L325 HydrophobicContact CG1-CD1 4.41Å; E321-L325 WeakPolarHBondContact O-CG 3.49Å; E321-L325 PolarHBondContact O-N 3.49Å; E322-L325 PolarHBondContact O-N 2.93Å; V323-L325 PolarHBondContact O-N 3.45Å; L325-K329 WeakPolarHBondContact O-CB 3.34Å; L325-K329 WeakPolarHBondContact O-CG 3.47Å; L325-K329 PolarHBondContact O-N 3.48Å; L325-K329 VanDerWaalsContact O-N 3.08Å
326	T	79.4	Confident	73.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-50.2	177.6	-59.7	0	0	0	0	111.5	V291 F299 A302 E322 V323 Y324 H328 K329 E330	V291-T326 HydrophobicContact CG1-CG2 3.78Å; F299-T326 WeakPolarHBondContact CA-OG1 3.49Å; F299-T326 HydrophobicContact CB-CG2 3.96Å; F299-T326 WeakPolarHBondContact CD2-OG1 3.39Å; A302-T326 WeakPolarHBondContact CB-OG1 3.28Å; E322-T326 WeakPolarHBondContact O-CB 3.42Å; E322-T326 PolarHBondContact O-N 3.37Å; E322-T326 PolarHBondContact O-OG1 2.77Å; V323-T326 VanDerWaalsContact O-CB 3.28Å; V323-T326 WeakPolarHBondContact O-CB 3.44Å; V323-T326 PolarHBondContact O-N 3.08Å; V323-T326 VanDerWaalsContact O-N 3.13Å; Y324-T326 VanDerWaalsContact C-N 3.26Å; Y324-T326 PolarHBondContact O-N 3.49Å; T326-H328 VanDerWaalsContact C-N 3.35Å; T326-H328 PolarHBondContact O-N 3.16Å; T326-K329 PolarHBondContact O-N 3.31Å; T326-E330 PolarHBondContact O-N 3.03Å
327	M	68.5	Low	71.9	Confident	85 Å²	85	49.6 Å²	49.6	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-43.4	-179.3	-68.1	174.4	63.6	0	0	112.3	V291 V323 Y324 R331	V291-M327 HydrophobicContact CG1-CG 4.21Å; V291-M327 HydrophobicContact CG2-CG 4.02Å; V291-M327 HydrophobicContact CG2-SD 4.14Å; V323-M327 WeakPolarHBondContact O-CG 3.47Å; V323-M327 PolarHBondContact O-N 3.42Å; Y324-M327 PolarHBondContact O-N 3.44Å; M327-R331 PolarHBondContact O-N 2.88Å
328	H	67.4	Low	71.7	Confident	44 Å²	44	51.5 Å²	51.5	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-73.3	-32.1	-177.1	-67.4	85.7	0	0	0	112.6	H266 Y324 T326	H266-H328 HydrophobicContact CB-CB 4.49Å; H266-H328 AromaticContact CD2-CD2 3.2Å; H266-H328 PolarHBondContact CD2-CD2 2.73Å; H266-H328 AromaticContact CD2-NE2 3.96Å; H266-H328 AromaticContact CE1-CD2 3.29Å; H266-H328 PolarHBondContact CE1-CD2 2.82Å; H266-H328 AromaticContact CE1-NE2 3.22Å; H266-H328 PolarHBondContact CE1-NE2 3.19Å; H266-H328 AromaticContact CG-CD2 3.31Å; H266-H328 AromaticContact CG-CG 3.89Å; H266-H328 AromaticContact CG-NE2 3.82Å; H266-H328 AromaticContact ND1-CD2 3.35Å; H266-H328 PolarHBondContact ND1-CD2 3.08Å; H266-H328 AromaticContact ND1-NE2 3.34Å; H266-H328 PolarHBondContact ND1-NE2 2.88Å; H266-H328 AromaticContact NE2-CD2 3.22Å; H266-H328 PolarHBondContact NE2-CD2 3.44Å; H266-H328 AromaticContact NE2-NE2 3.63Å; Y324-H328 AromaticContact CD2-CE1 3.45Å; Y324-H328 VanDerWaalsContact CD2-CE1 3.45Å; Y324-H328 WeakPolarHBondContact CD2-CE1 3.45Å; Y324-H328 AromaticContact CD2-ND1 3.82Å; Y324-H328 AromaticContact CE1-ND1 3.93Å; Y324-H328 AromaticContact CE2-CE1 3.13Å; Y324-H328 WeakPolarHBondContact CE2-CE1 3.33Å; Y324-H328 AromaticContact CE2-ND1 3.73Å; Y324-H328 AromaticContact CE2-NE2 3.9Å; Y324-H328 AromaticContact CG-ND1 3.96Å; Y324-H328 AromaticContact CZ-CE1 3.48Å; Y324-H328 VanDerWaalsContact CZ-CE1 3.48Å; Y324-H328 AromaticContact CZ-ND1 3.78Å; Y324-H328 PolarHBondContact O-N 3.41Å; Y324-H328 PolarHBondContact O-ND1 2.83Å; T326-H328 VanDerWaalsContact C-N 3.35Å; T326-H328 PolarHBondContact O-N 3.16Å
329	K	70	Confident	71.2	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-40.5	174.8	-73	173.8	-173.7	-174.4	0	112.8	I245 L263 C301 A302 L325 T326 R331 V332 R333	I245-K329 HydrophobicContact CD1-CD 4.24Å; I245-K329 HydrophobicContact CD1-CG 4.09Å; I245-K329 HydrophobicContact CG1-CD 4.19Å; I245-K329 HydrophobicContact CG1-CG 4.45Å; L263-K329 HydrophobicContact CD1-CG 4.48Å; C301-K329 HydrophobicContact CB-CD 4.26Å; C301-K329 PolarHBondContact O-NZ 3.11Å; A302-K329 VanDerWaalsContact CA-NZ 3.26Å; L325-K329 WeakPolarHBondContact O-CB 3.34Å; L325-K329 WeakPolarHBondContact O-CG 3.47Å; L325-K329 PolarHBondContact O-N 3.48Å; L325-K329 VanDerWaalsContact O-N 3.08Å; T326-K329 PolarHBondContact O-N 3.31Å; K329-R331 PolarHBondContact O-N 3.44Å; K329-V332 WeakPolarHBondContact O-CB 3.19Å; K329-V332 PolarHBondContact O-N 3.06Å; K329-R333 PolarHBondContact O-N 3.34Å
330	E	71.7	Confident	70.6	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-38.9	178	-179.7	64.5	-161.7	0	0	110.9	Y295 S298 T326 V332 R333 Q334	Y295-E330 HydrophobicContact CD1-CB 4.38Å; Y295-E330 HydrophobicContact CD1-CG 3.5Å; Y295-E330 VanDerWaalsContact CD1-CG 3.5Å; Y295-E330 HydrophobicContact CE1-CG 3.72Å; Y295-E330 HydrophobicContact CG-CB 4.34Å; Y295-E330 HydrophobicContact CG-CG 3.95Å; S298-E330 WeakPolarHBondContact CB-OE2 3.34Å; S298-E330 WeakPolarHBondContact OG-CA 3.36Å; S298-E330 PolarHBondContact OG-OE2 3.15Å; T326-E330 PolarHBondContact O-N 3.03Å; E330-V332 VanDerWaalsContact C-N 3.28Å; E330-V332 PolarHBondContact O-N 3.37Å; E330-R333 PolarHBondContact O-N 3.27Å; E330-R333 IonicContact OE1-NH1 3.55Å; E330-R333 IonicContact OE2-NH1 3.39Å; E330-R333 PolarHBondContact OE2-NH1 3.12Å; E330-Q334 HydrophobicContact CG-CG 4.37Å; E330-Q334 WeakPolarHBondContact O-CG 3.45Å; E330-Q334 PolarHBondContact O-N 3.2Å; E330-Q334 WeakPolarHBondContact OE1-CG 3.37Å; E330-Q334 PolarHBondContact OE1-NE2 3.23Å
331	R	67.1	Low	70.3	Confident	142 Å²	142	49.2 Å²	49.2	54%	0.536	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-34.6	175.9	-166.8	169.7	-173.7	164.3	1.9	113.3	M327 K329 V335	M327-R331 PolarHBondContact O-N 2.88Å; K329-R331 PolarHBondContact O-N 3.44Å; R331-V335 WeakPolarHBondContact O-CG2 3.48Å
332	V	67.2	Low	69.8	Low	5 Å²	5	52.3 Å²	52.3	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-45.2	174.7	177.7	0	0	0	0	110.2	I253 N259 L263 K329 E330 Q334 V335 E336	I253-V332 HydrophobicContact CD1-CG1 4.2Å; I253-V332 HydrophobicContact CG1-CG1 4.3Å; I253-V332 HydrophobicContact CG2-CG1 4.39Å; N259-V332 HydrophobicContact CB-CG2 4.47Å; L263-V332 HydrophobicContact CB-CG2 3.93Å; L263-V332 HydrophobicContact CD1-CG2 4.34Å; L263-V332 HydrophobicContact CD2-CG2 4.16Å; L263-V332 HydrophobicContact CG-CG2 4.35Å; K329-V332 WeakPolarHBondContact O-CB 3.19Å; K329-V332 PolarHBondContact O-N 3.06Å; E330-V332 VanDerWaalsContact C-N 3.28Å; E330-V332 PolarHBondContact O-N 3.37Å; V332-Q334 VanDerWaalsContact C-N 3.33Å; V332-Q334 PolarHBondContact O-N 2.71Å; V332-V335 PolarHBondContact O-N 3.37Å; V332-E336 HydrophobicContact CG1-CG 4.1Å; V332-E336 WeakPolarHBondContact O-CG 3.37Å; V332-E336 PolarHBondContact O-N 3.11Å; V332-E336 VanDerWaalsContact O-N 3.15Å
333	R	70.7	Confident	69.2	Low	61 Å²	61	53.5 Å²	53.5	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-43.4	179.5	-176.5	-165.9	173	-147	-4.1	112.3	F249 K329 E330 V335 E336 M337	F249-R333 HydrophobicContact CD1-CG 4.08Å; F249-R333 VanDerWaalsContact CE1-CD 3.46Å; F249-R333 HydrophobicContact CE1-CG 4.12Å; F249-R333 HydrophobicContact CG-CG 4.41Å; F249-R333 HydrophobicContact CZ-CB 4.5Å; F249-R333 HydrophobicContact CZ-CG 4.44Å; K329-R333 PolarHBondContact O-N 3.34Å; E330-R333 PolarHBondContact O-N 3.27Å; E330-R333 IonicContact OE1-NH1 3.55Å; E330-R333 IonicContact OE2-NH1 3.39Å; E330-R333 PolarHBondContact OE2-NH1 3.12Å; R333-V335 PolarHBondContact O-N 3.36Å; R333-E336 PolarHBondContact O-N 3.11Å; R333-M337 HydrophobicContact CG-CG 4.14Å; R333-M337 HydrophobicContact CG-SD 3.53Å; R333-M337 VanDerWaalsContact CG-SD 3.53Å; R333-M337 PolarHBondContact NE-SD 2.75Å; R333-M337 VanDerWaalsContact NE-SD 3.37Å; R333-M337 WeakPolarHBondContact O-CB 3.45Å; R333-M337 WeakPolarHBondContact O-CG 3.25Å; R333-M337 PolarHBondContact O-N 3.43Å; R333-M337 VanDerWaalsContact O-N 3.07Å
334	Q	68.6	Low	68.5	Low	114 Å²	114	57.3 Å²	57.3	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-18.3	-179	-74	-179.8	5.7	0	0	114.5	E330 V332	E330-Q334 HydrophobicContact CG-CG 4.37Å; E330-Q334 WeakPolarHBondContact O-CG 3.45Å; E330-Q334 PolarHBondContact O-N 3.2Å; E330-Q334 WeakPolarHBondContact OE1-CG 3.37Å; E330-Q334 PolarHBondContact OE1-NE2 3.23Å; V332-Q334 VanDerWaalsContact C-N 3.33Å; V332-Q334 PolarHBondContact O-N 2.71Å
335	V	62.2	Low	68.2	Low	86 Å²	86	59.2 Å²	59.2	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-100.1	-29	-179.5	-177.8	0	0	0	0	112	N259 R331 V332 R333	N259-V335 WeakPolarHBondContact ND2-CB 3.48Å; N259-V335 WeakPolarHBondContact ND2-CG1 3.5Å; N259-V335 WeakPolarHBondContact ND2-CG2 3.45Å; R331-V335 WeakPolarHBondContact O-CG2 3.48Å; V332-V335 PolarHBondContact O-N 3.37Å; R333-V335 PolarHBondContact O-N 3.36Å
336	E	62.3	Low	67.4	Low	53 Å²	53	63.9 Å²	63.9	25%	0.248	30%	0.299	C	S	.	.	H	α-helix	trans	-90.9	-11.3	-179.7	-58	-71.2	158.9	0	0	113	I251 D254 V332 R333	I251-E336 HydrophobicContact CD1-CB 4.05Å; D254-E336 PolarHBondContact N-OE2 3.48Å; V332-E336 HydrophobicContact CG1-CG 4.1Å; V332-E336 WeakPolarHBondContact O-CG 3.37Å; V332-E336 PolarHBondContact O-N 3.11Å; V332-E336 VanDerWaalsContact O-N 3.15Å; R333-E336 PolarHBondContact O-N 3.11Å
337	M	53.6	Low	66.3	Low	160 Å²	160	69.7 Å²	69.7	79%	0.788	33%	0.326	S	S	*	.			trans	-101.6	0	170.2	-68.5	-173.1	63.1	0	0	110.7	I251 R333	I251-M337 HydrophobicContact CG2-CG 4.36Å; R333-M337 HydrophobicContact CG-CG 4.14Å; R333-M337 HydrophobicContact CG-SD 3.53Å; R333-M337 VanDerWaalsContact CG-SD 3.53Å; R333-M337 PolarHBondContact NE-SD 2.75Å; R333-M337 VanDerWaalsContact NE-SD 3.37Å; R333-M337 WeakPolarHBondContact O-CB 3.45Å; R333-M337 WeakPolarHBondContact O-CG 3.25Å; R333-M337 PolarHBondContact O-N 3.43Å; R333-M337 VanDerWaalsContact O-N 3.07Å

Retrieved 337 of 337 residues in 386.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).