A0A5K4FFN8_SCHMA Loading...

DNA repair protein RAD51 homolog 3

AlphaFold DB , UniProt , Accession A0A5K4FFN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 390 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	57.9	Low	91 Å²	91	83.5 Å²	83.5	45%	0.448	45%	0.453	S	S	.	.				0	-36.3	0	-74.9	-165.4	172.9	0	0	113.5	F7 R227	M1-F7 HydrophobicContact CB-CE1 4.44Å; M1-F7 HydrophobicContact CE-CZ 4.39Å; M1-F7 HydrophobicContact CG-CE1 4.27Å; M1-F7 HydrophobicContact SD-CE1 4.24Å; M1-F7 HydrophobicContact SD-CZ 4.41Å; M1-R227 HydrophobicContact CE-CB 4.02Å; M1-R227 HydrophobicContact CE-CG 4.42Å
2	L	36.4	Very low	59.5	Low	189 Å²	189	82 Å²	82	99%	0.99	45%	0.453	S	S	*	.			trans	-87.2	2.9	173.5	-74.2	164.2	0	0	0	114.7
3	S	44.6	Very low	61.2	Low	63 Å²	63	76.2 Å²	76.2	44%	0.441	42%	0.421	S	S	.	.	S	Bend	trans	-111.8	-4	-172.5	49.9	0	0	0	0	114.9
4	D	49.7	Very low	62.7	Low	57 Å²	57	76.1 Å²	76.1	31%	0.305	43%	0.426	S	S	.	.			trans	-98.2	112.2	170.4	-179.9	9.6	0	0	0	108.8	G6 F7	D4-G6 PolarHBondContact O-N 3.03Å; D4-G6 VanDerWaalsContact O-N 3.13Å; D4-G6 PolarHBondContact OD1-N 3.03Å; D4-F7 HydrophobicContact CB-CB 3.87Å; D4-F7 PolarHBondContact O-N 3.47Å; D4-F7 VanDerWaalsContact O-N 3.08Å
5	P	50.4	Low	64.4	Low	89 Å²	89	72.1 Å²	72.1	58%	0.578	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.8	176.4	23.1	-30.7	0	0	0	113.9	M71	P5-M71 HydrophobicContact CB-CE 3.15Å; P5-M71 HydrophobicContact CB-SD 4.15Å; P5-M71 HydrophobicContact CG-CE 3.85Å
6	G	54.2	Low	65.8	Low	48 Å²	48	70.8 Å²	70.8	50%	0.495	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-16	174.5	0	0	0	0	0	115	D4 R8	D4-G6 PolarHBondContact O-N 3.03Å; D4-G6 VanDerWaalsContact O-N 3.13Å; D4-G6 PolarHBondContact OD1-N 3.03Å; G6-R8 PolarHBondContact O-N 3.03Å
7	F	59	Low	67	Low	70 Å²	70	73.1 Å²	73.1	31%	0.307	42%	0.419	S	S	.	.			trans	-87.5	102.4	-178.4	-171.2	-94.8	0	0	0	110.8	M1 D4 E9 C30	M1-F7 HydrophobicContact CB-CE1 4.44Å; M1-F7 HydrophobicContact CE-CZ 4.39Å; M1-F7 HydrophobicContact CG-CE1 4.27Å; M1-F7 HydrophobicContact SD-CE1 4.24Å; M1-F7 HydrophobicContact SD-CZ 4.41Å; D4-F7 HydrophobicContact CB-CB 3.87Å; D4-F7 PolarHBondContact O-N 3.47Å; D4-F7 VanDerWaalsContact O-N 3.08Å; F7-E9 HydrophobicContact CE1-CG 3.88Å; F7-E9 HydrophobicContact CZ-CG 4.38Å; F7-C30 HydrophobicContact CD2-CB 4.44Å; F7-C30 HydrophobicContact CE2-CB 4.21Å
8	R	67	Low	68.2	Low	103 Å²	103	72.2 Å²	72.2	39%	0.389	42%	0.422	S	S	.	.			trans	-122	127.1	169	-71.2	-164.4	-172.8	-145.7	7.1	110.6	G6 C30 I31 S67	G6-R8 PolarHBondContact O-N 3.03Å; R8-C30 VanDerWaalsContact O-CA 3.23Å; R8-C30 WeakPolarHBondContact O-CA 3.4Å; R8-C30 WeakPolarHBondContact O-CB 3.42Å; R8-I31 HydrophobicContact CB-CB 4.5Å; R8-I31 HydrophobicContact CB-CD1 3.49Å; R8-I31 VanDerWaalsContact CB-CD1 3.49Å; R8-I31 HydrophobicContact CB-CG1 3.91Å; R8-I31 HydrophobicContact CG-CD1 4.36Å; R8-I31 PolarHBondContact O-N 3.29Å; R8-S67 VanDerWaalsContact CZ-OG 3.22Å; R8-S67 PolarHBondContact NE-OG 3.09Å; R8-S67 PolarHBondContact NH2-OG 3.29Å
9	E	75.6	Confident	69.4	Low	88 Å²	88	68.7 Å²	68.7	41%	0.411	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-70.4	142.1	175.6	-58.7	-175.2	157.2	0	0	110.6	F7 I11 S12 N29	F7-E9 HydrophobicContact CE1-CG 3.88Å; F7-E9 HydrophobicContact CZ-CG 4.38Å; E9-I11 HydrophobicContact CB-CG1 3.81Å; E9-I11 PolarHBondContact O-N 2.99Å; E9-I11 VanDerWaalsContact OE2-CD1 3.26Å; E9-I11 WeakPolarHBondContact OE2-CD1 3.36Å; E9-S12 PolarHBondContact O-N 2.8Å; E9-S12 VanDerWaalsContact O-N 3.1Å; E9-S12 PolarHBondContact O-OG 3.26Å; E9-N29 WeakPolarHBondContact CA-O 3.2Å
10	L	80.2	Confident	70.4	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.016	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.6	179	-72.5	164.8	0	0	0	112.8	S12 L13 L20 L23 F28 N29 I31 V34	L10-S12 PolarHBondContact O-N 2.68Å; L10-L13 HydrophobicContact CD2-CD1 4.26Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.05Å; L10-L13 VanDerWaalsContact O-N 3.08Å; L10-L20 HydrophobicContact CB-CD2 4.13Å; L10-L20 VanDerWaalsContact O-CD2 3.27Å; L10-L20 WeakPolarHBondContact O-CD2 3.36Å; L10-L23 HydrophobicContact CD1-CB 4.15Å; L10-L23 HydrophobicContact CD1-CD1 4.21Å; L10-L23 HydrophobicContact CD2-CD1 4.37Å; L10-F28 HydrophobicContact CD1-CB 3.81Å; L10-F28 WeakPolarHBondContact CD1-O 3.48Å; L10-N29 PolarHBondContact N-O 3.33Å; L10-I31 HydrophobicContact CD2-CG1 4.3Å; L10-V34 HydrophobicContact CD1-CG2 3.73Å; L10-V34 HydrophobicContact CD2-CB 4.31Å; L10-V34 HydrophobicContact CD2-CG2 3.76Å; L10-V34 HydrophobicContact CG-CG2 4.32Å
11	I	81.5	Confident	71.3	Confident	117 Å²	117	69.7 Å²	69.7	60%	0.6	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.4	179	63.9	169.5	0	0	0	113.3	E9 L13	E9-I11 HydrophobicContact CB-CG1 3.81Å; E9-I11 PolarHBondContact O-N 2.99Å; E9-I11 VanDerWaalsContact OE2-CD1 3.26Å; E9-I11 WeakPolarHBondContact OE2-CD1 3.36Å; I11-L13 VanDerWaalsContact C-N 3.27Å
12	S	77.5	Confident	73.7	Confident	66 Å²	66	65.4 Å²	65.4	46%	0.462	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-79.5	-9.3	175.4	77.4	0	0	0	0	113.2	E9 L10	E9-S12 PolarHBondContact O-N 2.8Å; E9-S12 VanDerWaalsContact O-N 3.1Å; E9-S12 PolarHBondContact O-OG 3.26Å; L10-S12 PolarHBondContact O-N 2.68Å
13	L	80.6	Confident	76.3	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.037	33%	0.331	C	S	.	.	S	Bend	trans	-89.4	146.4	-179.5	-64.2	-179.7	0	0	0	111.6	L10 I11 L15 I31 I60 Y63	L10-L13 HydrophobicContact CD2-CD1 4.26Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.05Å; L10-L13 VanDerWaalsContact O-N 3.08Å; I11-L13 VanDerWaalsContact C-N 3.27Å; L13-L15 HydrophobicContact CB-CD1 3.98Å; L13-L15 HydrophobicContact CB-CG 3.78Å; L13-L15 HydrophobicContact CD1-CD1 3.88Å; L13-L15 HydrophobicContact CD1-CG 4.37Å; L13-L15 PolarHBondContact O-N 3.01Å; L13-I31 HydrophobicContact CD1-CD1 3.87Å; L13-I31 HydrophobicContact CD1-CG1 3.89Å; L13-I31 HydrophobicContact CD2-CD1 3.72Å; L13-I31 HydrophobicContact CG-CD1 3.87Å; L13-I31 HydrophobicContact CG-CG1 4.28Å; L13-I60 HydrophobicContact CD1-CB 4.48Å; L13-I60 HydrophobicContact CD1-CG1 3.7Å; L13-Y63 HydrophobicContact CD2-CD1 3.47Å; L13-Y63 VanDerWaalsContact CD2-CD1 3.47Å; L13-Y63 HydrophobicContact CD2-CD2 3.81Å; L13-Y63 HydrophobicContact CD2-CE1 4.22Å; L13-Y63 HydrophobicContact CD2-CG 3.21Å
14	P	83.5	Confident	78.3	Confident	75 Å²	75	56.7 Å²	56.7	49%	0.487	33%	0.33	S	S	.	.			trans	-76.2	55.8	173.6	34.2	-36.4	0	0	0	111.2	I59 Y63	P14-I59 HydrophobicContact CG-CG2 3.89Å; P14-Y63 HydrophobicContact CG-CE2 3.74Å
15	L	86.9	Confident	80.1	Confident	15 Å²	15	62.1 Å²	62.1	8%	0.079	35%	0.346	C	S	.	.			trans	-89.4	154	175.7	-67.4	176.3	0	0	0	110.1	L13 I19 L20 L23 A56 I59 I60	L13-L15 HydrophobicContact CB-CD1 3.98Å; L13-L15 HydrophobicContact CB-CG 3.78Å; L13-L15 HydrophobicContact CD1-CD1 3.88Å; L13-L15 HydrophobicContact CD1-CG 4.37Å; L13-L15 PolarHBondContact O-N 3.01Å; L15-I19 HydrophobicContact CD1-CG2 4.34Å; L15-L20 HydrophobicContact CB-CD1 4.34Å; L15-L20 HydrophobicContact CB-CD2 3.96Å; L15-L20 HydrophobicContact CB-CG 3.8Å; L15-L20 HydrophobicContact CD1-CD2 3.97Å; L15-L23 HydrophobicContact CD1-CD1 4.37Å; L15-A56 HydrophobicContact CD2-CB 3.73Å; L15-I59 HydrophobicContact CD2-CB 4.14Å; L15-I59 HydrophobicContact CD2-CD1 4.28Å; L15-I59 HydrophobicContact CD2-CG2 4.11Å; L15-I60 HydrophobicContact CD1-CD1 4.22Å; L15-I60 HydrophobicContact CD1-CG1 4.16Å; L15-I60 HydrophobicContact CD2-CG1 4.39Å
16	S	87.7	Confident	81.8	Confident	52 Å²	52	59.4 Å²	59.4	36%	0.364	33%	0.331	S	S	.	.			trans	-65.8	147.4	175.6	74.6	0	0	0	0	110.6	A18 I19 L20	S16-A18 PolarHBondContact O-N 3.26Å; S16-A18 VanDerWaalsContact O-N 3.14Å; S16-I19 PolarHBondContact O-N 2.96Å; S16-I19 WeakPolarHBondContact OG-CD1 3.27Å; S16-I19 WeakPolarHBondContact OG-CG1 3.35Å; S16-I19 PolarHBondContact OG-N 3.14Å; S16-L20 PolarHBondContact O-N 3.44Å
17	P	86.7	Confident	83	Confident	110 Å²	110	59.2 Å²	59.2	71%	0.714	33%	0.329	S	S	*	.	H	α-helix	trans	-55.4	-33.4	178.3	-27.9	35	0	0	0	113.5	H21	P17-H21 WeakPolarHBondContact O-CB 3.4Å; P17-H21 PolarHBondContact O-N 2.91Å
18	A	88	Confident	84.2	Confident	57 Å²	57	57.6 Å²	57.6	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-40.3	176.6	0	0	0	0	0	112.5	S16 G22	S16-A18 PolarHBondContact O-N 3.26Å; S16-A18 VanDerWaalsContact O-N 3.14Å; A18-G22 PolarHBondContact O-N 3.21Å
19	I	90.4	Very high	84.8	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-73	-45	178	-69.5	163.2	0	0	0	110.4	L15 S16 H21 G22 L23 C46 V48 A56	L15-I19 HydrophobicContact CD1-CG2 4.34Å; S16-I19 PolarHBondContact O-N 2.96Å; S16-I19 WeakPolarHBondContact OG-CD1 3.27Å; S16-I19 WeakPolarHBondContact OG-CG1 3.35Å; S16-I19 PolarHBondContact OG-N 3.14Å; I19-H21 PolarHBondContact O-N 3.31Å; I19-G22 PolarHBondContact O-N 3.45Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 WeakPolarHBondContact O-CG 3.25Å; I19-L23 PolarHBondContact O-N 2.85Å; I19-C46 HydrophobicContact CG1-CB 4.45Å; I19-V48 HydrophobicContact CG1-CG1 4.08Å; I19-V48 HydrophobicContact CG1-CG2 4.3Å; I19-A56 HydrophobicContact CD1-CB 3.55Å; I19-A56 HydrophobicContact CG2-CB 4.14Å
20	L	90	Very high	85	Confident	31 Å²	31	52.1 Å²	52.1	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-50.1	175.6	-74	173.6	0	0	0	110.9	L10 L15 S16 G22 L23 T24	L10-L20 HydrophobicContact CB-CD2 4.13Å; L10-L20 VanDerWaalsContact O-CD2 3.27Å; L10-L20 WeakPolarHBondContact O-CD2 3.36Å; L15-L20 HydrophobicContact CB-CD1 4.34Å; L15-L20 HydrophobicContact CB-CD2 3.96Å; L15-L20 HydrophobicContact CB-CG 3.8Å; L15-L20 HydrophobicContact CD1-CD2 3.97Å; S16-L20 PolarHBondContact O-N 3.44Å; L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 3.5Å; L20-L23 PolarHBondContact O-N 2.63Å; L20-T24 WeakPolarHBondContact O-CB 3.19Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.28Å
21	H	88.2	Confident	85.1	Confident	126 Å²	126	52.2 Å²	52.2	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-62.1	-41.1	177.7	-171.4	70.8	0	0	0	111.9	P17 I19 R25	P17-H21 WeakPolarHBondContact O-CB 3.4Å; P17-H21 PolarHBondContact O-N 2.91Å; I19-H21 PolarHBondContact O-N 3.31Å; H21-R25 WeakPolarHBondContact O-CB 3.48Å; H21-R25 PolarHBondContact O-N 3.13Å
22	G	90.7	Very high	84.7	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-44.7	175.6	0	0	0	0	0	113.3	A18 I19 L20 A26	A18-G22 PolarHBondContact O-N 3.21Å; I19-G22 PolarHBondContact O-N 3.45Å; L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 3.5Å; G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.37Å; G22-A26 VanDerWaalsContact O-N 3.08Å
23	L	89.8	Confident	84.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-49.6	177.3	-75.1	173.1	0	0	0	111.8	L10 L15 I19 L20 R25 A26 G27 F28 V34 L37 L42	L10-L23 HydrophobicContact CD1-CB 4.15Å; L10-L23 HydrophobicContact CD1-CD1 4.21Å; L10-L23 HydrophobicContact CD2-CD1 4.37Å; L15-L23 HydrophobicContact CD1-CD1 4.37Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.33Å; I19-L23 WeakPolarHBondContact O-CB 3.43Å; I19-L23 WeakPolarHBondContact O-CG 3.25Å; I19-L23 PolarHBondContact O-N 2.85Å; L20-L23 PolarHBondContact O-N 2.63Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 2.94Å; L23-A26 CarbonylContact O-C 3.46Å; L23-A26 WeakPolarHBondContact O-CA 3.42Å; L23-A26 PolarHBondContact O-N 3.25Å; L23-A26 VanDerWaalsContact O-N 3.08Å; L23-G27 PolarHBondContact O-N 2.84Å; L23-F28 HydrophobicContact CB-CB 4.14Å; L23-F28 HydrophobicContact CD2-CB 4.16Å; L23-F28 HydrophobicContact CD2-CD2 3.86Å; L23-F28 HydrophobicContact CD2-CG 4.1Å; L23-F28 PolarHBondContact O-N 2.91Å; L23-V34 HydrophobicContact CD1-CG1 4.11Å; L23-V34 HydrophobicContact CD1-CG2 4.38Å; L23-V34 HydrophobicContact CD2-CG1 3.85Å; L23-V34 HydrophobicContact CD2-CG2 4.04Å; L23-L37 HydrophobicContact CD2-CD1 4.44Å; L23-L42 HydrophobicContact CD1-CD1 4.39Å; L23-L42 HydrophobicContact CD2-CD1 3.65Å; L23-L42 HydrophobicContact CG-CD1 4.26Å
24	T	87.1	Confident	84.8	Confident	68 Å²	68	49.9 Å²	49.9	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-41	178	-55.4	0	0	0	0	111.4	L20 A26 G27	L20-T24 WeakPolarHBondContact O-CB 3.19Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.28Å; T24-A26 VanDerWaalsContact C-N 3.25Å; T24-A26 PolarHBondContact O-N 3.34Å; T24-G27 WeakPolarHBondContact O-CA 3.49Å; T24-G27 PolarHBondContact O-N 3.18Å
25	R	87.4	Confident	84.8	Confident	172 Å²	172	48 Å²	48	65%	0.649	28%	0.279	S	S	*	.	H	α-helix	trans	-61.8	-33.8	174.2	-175.3	-177.3	68.2	-177.6	-0.2	112.2	H21 L23 G27 I45	H21-R25 WeakPolarHBondContact O-CB 3.48Å; H21-R25 PolarHBondContact O-N 3.13Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 2.94Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-I45 PolarHBondContact NH2-O 3.39Å
26	A	85.2	Confident	84.5	Confident	32 Å²	32	50.9 Å²	50.9	26%	0.264	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.4	174.9	0	0	0	0	0	113.9	G22 L23 T24 F28 I45	G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.37Å; G22-A26 VanDerWaalsContact O-N 3.08Å; L23-A26 CarbonylContact O-C 3.46Å; L23-A26 WeakPolarHBondContact O-CA 3.42Å; L23-A26 PolarHBondContact O-N 3.25Å; L23-A26 VanDerWaalsContact O-N 3.08Å; T24-A26 VanDerWaalsContact C-N 3.25Å; T24-A26 PolarHBondContact O-N 3.34Å; A26-F28 HydrophobicContact CB-CD2 3.78Å; A26-F28 HydrophobicContact CB-CE2 3.82Å; A26-I45 HydrophobicContact CB-CG2 3.43Å; A26-I45 VanDerWaalsContact CB-CG2 3.43Å
27	G	80.3	Confident	84.3	Confident	44 Å²	44	49.9 Å²	49.9	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	6.7	175.1	0	0	0	0	0	115.2	L23 T24 R25 N29	L23-G27 PolarHBondContact O-N 2.84Å; T24-G27 WeakPolarHBondContact O-CA 3.49Å; T24-G27 PolarHBondContact O-N 3.18Å; R25-G27 VanDerWaalsContact C-N 3.27Å; G27-N29 PolarHBondContact O-ND2 3.25Å
28	F	84.7	Confident	84.4	Confident	36 Å²	36	47.8 Å²	47.8	16%	0.158	29%	0.29	C	S	.	.			trans	-78.7	125.6	173.2	-60.9	-84.1	0	0	0	109.5	L10 L23 A26 E33 V34 L37 I45	L10-F28 HydrophobicContact CD1-CB 3.81Å; L10-F28 WeakPolarHBondContact CD1-O 3.48Å; L23-F28 HydrophobicContact CB-CB 4.14Å; L23-F28 HydrophobicContact CD2-CB 4.16Å; L23-F28 HydrophobicContact CD2-CD2 3.86Å; L23-F28 HydrophobicContact CD2-CG 4.1Å; L23-F28 PolarHBondContact O-N 2.91Å; A26-F28 HydrophobicContact CB-CD2 3.78Å; A26-F28 HydrophobicContact CB-CE2 3.82Å; F28-E33 WeakPolarHBondContact CA-OE2 3.49Å; F28-E33 HydrophobicContact CD1-CB 3.75Å; F28-E33 HydrophobicContact CE1-CB 4.41Å; F28-E33 WeakPolarHBondContact CE1-O 3.48Å; F28-V34 HydrophobicContact CB-CG2 3.72Å; F28-V34 HydrophobicContact CD1-CG2 3.81Å; F28-V34 HydrophobicContact CG-CG2 3.94Å; F28-L37 HydrophobicContact CE1-CD1 4.16Å; F28-L37 HydrophobicContact CE1-CD2 4.42Å; F28-L37 HydrophobicContact CE2-CD1 4.4Å; F28-L37 HydrophobicContact CZ-CD1 4.01Å; F28-L37 HydrophobicContact CZ-CD2 4.22Å; F28-I45 HydrophobicContact CE2-CD1 3.83Å; F28-I45 HydrophobicContact CE2-CG2 4.37Å; F28-I45 HydrophobicContact CZ-CD1 4.16Å
29	N	79.9	Confident	84.5	Confident	67 Å²	67	46.9 Å²	46.9	36%	0.358	28%	0.279	S	S	.	.			trans	-125.4	-20.4	-177.4	-62.9	-69.4	0	0	0	113.3	E9 L10 G27 E33	E9-N29 WeakPolarHBondContact CA-O 3.2Å; L10-N29 PolarHBondContact N-O 3.33Å; G27-N29 PolarHBondContact O-ND2 3.25Å; N29-E33 PolarHBondContact N-OE2 3.2Å
30	C	79.7	Confident	84.5	Confident	9 Å²	9	52 Å²	52	6%	0.061	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-124.8	157.7	177.2	65.9	0	0	0	0	113.2	F7 R8 S32 E33	F7-C30 HydrophobicContact CD2-CB 4.44Å; F7-C30 HydrophobicContact CE2-CB 4.21Å; R8-C30 VanDerWaalsContact O-CA 3.23Å; R8-C30 WeakPolarHBondContact O-CA 3.4Å; R8-C30 WeakPolarHBondContact O-CB 3.42Å; C30-S32 VanDerWaalsContact C-N 3.3Å; C30-S32 PolarHBondContact O-N 2.87Å; C30-S32 PolarHBondContact SG-OG 3.42Å; C30-E33 PolarHBondContact N-OE2 2.93Å; C30-E33 PolarHBondContact O-N 3.12Å; C30-E33 WeakPolarHBondContact SG-CG 3.29Å
31	I	81	Confident	84.4	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-44.2	-178.4	-63.9	-175	0	0	0	111.1	R8 L10 L13 E33 V34 V35 I60 N64	R8-I31 HydrophobicContact CB-CB 4.5Å; R8-I31 HydrophobicContact CB-CD1 3.49Å; R8-I31 VanDerWaalsContact CB-CD1 3.49Å; R8-I31 HydrophobicContact CB-CG1 3.91Å; R8-I31 HydrophobicContact CG-CD1 4.36Å; R8-I31 PolarHBondContact O-N 3.29Å; L10-I31 HydrophobicContact CD2-CG1 4.3Å; L13-I31 HydrophobicContact CD1-CD1 3.87Å; L13-I31 HydrophobicContact CD1-CG1 3.89Å; L13-I31 HydrophobicContact CD2-CD1 3.72Å; L13-I31 HydrophobicContact CG-CD1 3.87Å; L13-I31 HydrophobicContact CG-CG1 4.28Å; I31-E33 PolarHBondContact O-N 3.43Å; I31-E33 VanDerWaalsContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 3.33Å; I31-V35 HydrophobicContact CG2-CG2 3.78Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.31Å; I31-V35 VanDerWaalsContact O-N 3.11Å; I31-I60 HydrophobicContact CG2-CG2 4.14Å; I31-N64 HydrophobicContact CG2-CB 4.36Å
32	S	74	Confident	84.5	Confident	72 Å²	72	51.5 Å²	51.5	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-27.4	-176.9	54.4	0	0	0	0	113.9	C30 V34	C30-S32 VanDerWaalsContact C-N 3.3Å; C30-S32 PolarHBondContact O-N 2.87Å; C30-S32 PolarHBondContact SG-OG 3.42Å; S32-V34 VanDerWaalsContact C-N 3.32Å
33	E	77.5	Confident	84.6	Confident	68 Å²	68	52 Å²	52	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-75.6	-22.2	177.3	-66.9	164.4	166.5	0	0	112.6	F28 N29 C30 I31	F28-E33 WeakPolarHBondContact CA-OE2 3.49Å; F28-E33 HydrophobicContact CD1-CB 3.75Å; F28-E33 HydrophobicContact CE1-CB 4.41Å; F28-E33 WeakPolarHBondContact CE1-O 3.48Å; N29-E33 PolarHBondContact N-OE2 3.2Å; C30-E33 PolarHBondContact N-OE2 2.93Å; C30-E33 PolarHBondContact O-N 3.12Å; C30-E33 WeakPolarHBondContact SG-CG 3.29Å; I31-E33 PolarHBondContact O-N 3.43Å; I31-E33 VanDerWaalsContact O-N 3.15Å
34	V	83.3	Confident	84.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-103.4	-23.1	-172.7	-168.5	0	0	0	0	112.1	L10 L23 F28 I31 S32 G36 L37 L42 I60	L10-V34 HydrophobicContact CD1-CG2 3.73Å; L10-V34 HydrophobicContact CD2-CB 4.31Å; L10-V34 HydrophobicContact CD2-CG2 3.76Å; L10-V34 HydrophobicContact CG-CG2 4.32Å; L23-V34 HydrophobicContact CD1-CG1 4.11Å; L23-V34 HydrophobicContact CD1-CG2 4.38Å; L23-V34 HydrophobicContact CD2-CG1 3.85Å; L23-V34 HydrophobicContact CD2-CG2 4.04Å; F28-V34 HydrophobicContact CB-CG2 3.72Å; F28-V34 HydrophobicContact CD1-CG2 3.81Å; F28-V34 HydrophobicContact CG-CG2 3.94Å; I31-V34 PolarHBondContact O-N 3.33Å; S32-V34 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 3.32Å; V34-G36 VanDerWaalsContact O-N 3.12Å; V34-L37 HydrophobicContact CB-CD1 4.46Å; V34-L37 HydrophobicContact CG1-CD1 3.79Å; V34-L37 HydrophobicContact CG1-CG 4.47Å; V34-L37 WeakPolarHBondContact O-CB 3.43Å; V34-L37 PolarHBondContact O-N 2.78Å; V34-L42 HydrophobicContact CG1-CD1 4.18Å; V34-I60 HydrophobicContact CB-CD1 4.47Å; V34-I60 HydrophobicContact CG1-CD1 3.67Å
35	V	82.6	Confident	84.8	Confident	36 Å²	36	54.1 Å²	54.1	22%	0.218	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.2	-178.3	168.4	0	0	0	0	113.3	I31 I60 H61 N64	I31-V35 HydrophobicContact CG2-CG2 3.78Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.31Å; I31-V35 VanDerWaalsContact O-N 3.11Å; V35-I60 HydrophobicContact CG2-CG2 3.8Å; V35-H61 PolarHBondContact O-CE1 3.07Å; V35-N64 HydrophobicContact CG2-CB 4.23Å
36	G	79.5	Confident	85	Confident	75 Å²	75	46.5 Å²	46.5	77%	0.773	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.8	179.5	0	0	0	0	0	115.6	V34	V34-G36 PolarHBondContact O-N 3.32Å; V34-G36 VanDerWaalsContact O-N 3.12Å
37	L	84	Confident	85.2	Confident	31 Å²	31	48.1 Å²	48.1	16%	0.162	31%	0.309	C	S	.	.			trans	-76.9	139.7	-177	-64.4	-178.6	0	0	0	111.7	L23 F28 V34 R41 L42 I45 L57	L23-L37 HydrophobicContact CD2-CD1 4.44Å; F28-L37 HydrophobicContact CE1-CD1 4.16Å; F28-L37 HydrophobicContact CE1-CD2 4.42Å; F28-L37 HydrophobicContact CE2-CD1 4.4Å; F28-L37 HydrophobicContact CZ-CD1 4.01Å; F28-L37 HydrophobicContact CZ-CD2 4.22Å; V34-L37 HydrophobicContact CB-CD1 4.46Å; V34-L37 HydrophobicContact CG1-CD1 3.79Å; V34-L37 HydrophobicContact CG1-CG 4.47Å; V34-L37 WeakPolarHBondContact O-CB 3.43Å; V34-L37 PolarHBondContact O-N 2.78Å; L37-R41 HydrophobicContact CD2-CG 4.16Å; L37-L42 HydrophobicContact CD1-CD1 4.2Å; L37-I45 HydrophobicContact CD1-CD1 4.02Å; L37-I45 HydrophobicContact CD2-CD1 4.46Å; L37-L57 VanDerWaalsContact O-CD1 3.27Å; L37-L57 WeakPolarHBondContact O-CD1 3.21Å
38	S	88.8	Confident	85.7	Confident	67 Å²	67	47.5 Å²	47.5	47%	0.469	30%	0.296	S	S	.	.			trans	-72.9	156.8	167.9	70.3	0	0	0	0	111.1	D40 R41 L42	S38-D40 VanDerWaalsContact C-N 3.26Å; S38-D40 PolarHBondContact O-N 3.45Å; S38-R41 PolarHBondContact O-N 3.2Å; S38-R41 VanDerWaalsContact O-N 3.09Å; S38-R41 WeakPolarHBondContact OG-CB 3.49Å; S38-R41 PolarHBondContact OG-N 3.48Å; S38-L42 PolarHBondContact O-N 3.07Å
39	V	90.5	Very high	86.1	Confident	38 Å²	38	50.9 Å²	50.9	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-55.4	-43.4	177.4	178.4	0	0	0	0	111.3	R41 L42 A43 A53 R54 L57	V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 3.45Å; V39-L42 PolarHBondContact O-N 3.07Å; V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.33Å; V39-A53 HydrophobicContact CG1-CB 4.07Å; V39-R54 HydrophobicContact CG1-CB 4.08Å; V39-L57 HydrophobicContact CG2-CD2 4.18Å
40	D	89.9	Confident	86.7	Confident	113 Å²	113	51.8 Å²	51.8	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-65.4	-38.3	179.3	-56.9	-50	0	0	0	111.9	S38 A43 S44	S38-D40 VanDerWaalsContact C-N 3.26Å; S38-D40 PolarHBondContact O-N 3.45Å; D40-A43 PolarHBondContact O-N 3.27Å; D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 2.85Å
41	R	88.7	Confident	87.2	Confident	147 Å²	147	59.7 Å²	59.7	56%	0.555	36%	0.357	S	S	*	.	H	α-helix	trans	-69.1	-42.5	179.2	-167.5	62	178.1	-177.7	2.9	111.2	L37 S38 V39 S44 I45	L37-R41 HydrophobicContact CD2-CG 4.16Å; S38-R41 PolarHBondContact O-N 3.2Å; S38-R41 VanDerWaalsContact O-N 3.09Å; S38-R41 WeakPolarHBondContact OG-CB 3.49Å; S38-R41 PolarHBondContact OG-N 3.48Å; V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 3.45Å; R41-S44 PolarHBondContact O-N 3.35Å; R41-I45 HydrophobicContact CG-CD1 3.85Å; R41-I45 WeakPolarHBondContact O-CB 3.46Å; R41-I45 WeakPolarHBondContact O-CD1 3.2Å; R41-I45 VanDerWaalsContact O-CG1 3.22Å; R41-I45 WeakPolarHBondContact O-CG1 3.17Å; R41-I45 PolarHBondContact O-N 3.24Å
42	L	91	Very high	87.6	Confident	0 Å²	0	61 Å²	61	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.2	-174.6	66.9	0	0	0	111.7	L23 V34 L37 S38 V39 S44 I45 C46 A53 A56 L57	L23-L42 HydrophobicContact CD1-CD1 4.39Å; L23-L42 HydrophobicContact CD2-CD1 3.65Å; L23-L42 HydrophobicContact CG-CD1 4.26Å; V34-L42 HydrophobicContact CG1-CD1 4.18Å; L37-L42 HydrophobicContact CD1-CD1 4.2Å; S38-L42 PolarHBondContact O-N 3.07Å; V39-L42 PolarHBondContact O-N 3.07Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-I45 PolarHBondContact O-N 2.96Å; L42-C46 WeakPolarHBondContact O-CB 3.31Å; L42-C46 PolarHBondContact O-N 3.4Å; L42-C46 PolarHBondContact O-SG 3.41Å; L42-C46 VanDerWaalsContact O-SG 3.36Å; L42-A53 HydrophobicContact CB-CB 4.32Å; L42-A53 HydrophobicContact CD2-CB 4.26Å; L42-A53 WeakPolarHBondContact CD2-O 3.35Å; L42-A53 HydrophobicContact CG-CB 4.31Å; L42-A56 HydrophobicContact CD2-CB 4.04Å; L42-L57 HydrophobicContact CD2-CB 4.34Å; L42-L57 HydrophobicContact CD2-CD1 4.06Å
43	A	92.8	Very high	88.5	Confident	11 Å²	11	57.6 Å²	57.6	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-46	174.9	0	0	0	0	0	111.7	V39 D40 G47 V48 A53	V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.33Å; D40-A43 PolarHBondContact O-N 3.27Å; A43-G47 WeakPolarHBondContact O-CA 3.44Å; A43-G47 PolarHBondContact O-N 3.01Å; A43-V48 WeakPolarHBondContact CB-O 3.38Å; A43-V48 PolarHBondContact O-N 3.25Å; A43-V48 VanDerWaalsContact O-N 3.1Å; A43-A53 HydrophobicContact CB-CB 3.75Å
44	S	91.3	Very high	89.2	Confident	87 Å²	87	61.9 Å²	61.9	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-64.1	-45.2	177.6	175.1	0	0	0	0	112.8	D40 R41 L42	D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 2.85Å; R41-S44 PolarHBondContact O-N 3.35Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.45Å
45	I	89.2	Confident	89.5	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.138	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-45.9	-179.7	-73	162.8	0	0	0	111.3	R25 A26 F28 L37 R41 L42	R25-I45 PolarHBondContact NH2-O 3.39Å; A26-I45 HydrophobicContact CB-CG2 3.43Å; A26-I45 VanDerWaalsContact CB-CG2 3.43Å; F28-I45 HydrophobicContact CE2-CD1 3.83Å; F28-I45 HydrophobicContact CE2-CG2 4.37Å; F28-I45 HydrophobicContact CZ-CD1 4.16Å; L37-I45 HydrophobicContact CD1-CD1 4.02Å; L37-I45 HydrophobicContact CD2-CD1 4.46Å; R41-I45 HydrophobicContact CG-CD1 3.85Å; R41-I45 WeakPolarHBondContact O-CB 3.46Å; R41-I45 WeakPolarHBondContact O-CD1 3.2Å; R41-I45 VanDerWaalsContact O-CG1 3.22Å; R41-I45 WeakPolarHBondContact O-CG1 3.17Å; R41-I45 PolarHBondContact O-N 3.24Å; L42-I45 PolarHBondContact O-N 2.96Å
46	C	90.4	Very high	89.9	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-87.7	-10.9	-173.8	-55.8	0	0	0	0	113.3	I19 L42 V48	I19-C46 HydrophobicContact CG1-CB 4.45Å; L42-C46 WeakPolarHBondContact O-CB 3.31Å; L42-C46 PolarHBondContact O-N 3.4Å; L42-C46 PolarHBondContact O-SG 3.41Å; L42-C46 VanDerWaalsContact O-SG 3.36Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 HydrophobicContact CB-CG1 4.02Å; C46-V48 HydrophobicContact CB-CG2 3.96Å
47	G	90.5	Very high	90.3	Very high	66 Å²	66	60.5 Å²	60.5	68%	0.68	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	36.5	-174.1	0	0	0	0	0	112.7	A43	A43-G47 WeakPolarHBondContact O-CA 3.44Å; A43-G47 PolarHBondContact O-N 3.01Å
48	V	91.4	Very high	90.4	Very high	32 Å²	32	62.7 Å²	62.7	19%	0.194	35%	0.349	C	S	.	.			trans	-116.4	159.7	-177.5	-59.9	0	0	0	0	111.4	I19 A43 C46 A52 A53	I19-V48 HydrophobicContact CG1-CG1 4.08Å; I19-V48 HydrophobicContact CG1-CG2 4.3Å; A43-V48 WeakPolarHBondContact CB-O 3.38Å; A43-V48 PolarHBondContact O-N 3.25Å; A43-V48 VanDerWaalsContact O-N 3.1Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 HydrophobicContact CB-CG1 4.02Å; C46-V48 HydrophobicContact CB-CG2 3.96Å; V48-A52 HydrophobicContact CB-CB 4.23Å; V48-A52 HydrophobicContact CG2-CB 4.34Å; V48-A53 HydrophobicContact CG2-CB 4.11Å
49	N	92.6	Very high	90.2	Very high	107 Å²	107	60.7 Å²	60.7	57%	0.572	33%	0.332	S	S	*	.			trans	-66.3	156.3	175.3	67.1	41.4	0	0	0	111.8	K51 A52 A53	N49-K51 PolarHBondContact O-N 3.04Å; N49-K51 PolarHBondContact OD1-N 2.83Å; N49-A52 PolarHBondContact O-N 2.91Å; N49-A52 VanDerWaalsContact O-N 3.15Å; N49-A52 WeakPolarHBondContact OD1-CB 3.3Å; N49-A52 PolarHBondContact OD1-N 2.91Å; N49-A53 PolarHBondContact O-N 3.17Å
50	T	91.9	Very high	89.9	Confident	85 Å²	85	58.9 Å²	58.9	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-29.7	-177.6	50.7	0	0	0	0	113.1	R54	T50-R54 VanDerWaalsContact O-CB 3.29Å; T50-R54 WeakPolarHBondContact O-CB 3.37Å; T50-R54 PolarHBondContact O-N 3.46Å
51	K	90.4	Very high	89.6	Confident	176 Å²	176	56.1 Å²	56.1	77%	0.765	31%	0.305	S	S	*	.	H	α-helix	trans	-68	-44.1	176.5	-170.5	177.7	-179.3	180	0	112.2	N49 R54 S55	N49-K51 PolarHBondContact O-N 3.04Å; N49-K51 PolarHBondContact OD1-N 2.83Å; K51-R54 PolarHBondContact O-N 3.09Å; K51-S55 PolarHBondContact O-N 3.5Å
52	A	90.1	Very high	89	Confident	32 Å²	32	56 Å²	56	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-67.9	-41.8	176.3	0	0	0	0	0	111	V48 N49 S55 A56	V48-A52 HydrophobicContact CB-CB 4.23Å; V48-A52 HydrophobicContact CG2-CB 4.34Å; N49-A52 PolarHBondContact O-N 2.91Å; N49-A52 VanDerWaalsContact O-N 3.15Å; N49-A52 WeakPolarHBondContact OD1-CB 3.3Å; N49-A52 PolarHBondContact OD1-N 2.91Å; A52-S55 PolarHBondContact O-N 3.45Å; A52-A56 WeakPolarHBondContact O-CB 3.42Å; A52-A56 PolarHBondContact O-N 2.97Å
53	A	91.9	Very high	88	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-45.5	173.6	0	0	0	0	0	111.6	V39 L42 A43 V48 N49 S55 A56 L57	V39-A53 HydrophobicContact CG1-CB 4.07Å; L42-A53 HydrophobicContact CB-CB 4.32Å; L42-A53 HydrophobicContact CD2-CB 4.26Å; L42-A53 WeakPolarHBondContact CD2-O 3.35Å; L42-A53 HydrophobicContact CG-CB 4.31Å; A43-A53 HydrophobicContact CB-CB 3.75Å; V48-A53 HydrophobicContact CG2-CB 4.11Å; N49-A53 PolarHBondContact O-N 3.17Å; A53-S55 PolarHBondContact O-N 2.79Å; A53-A56 WeakPolarHBondContact O-CB 3.01Å; A53-A56 PolarHBondContact O-N 2.96Å; A53-L57 PolarHBondContact O-N 3.39Å
54	R	91.7	Very high	86.8	Confident	158 Å²	158	62.7 Å²	62.7	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-60.4	-47.1	176.3	-170.1	177.5	-173	118.2	1.4	112.1	V39 T50 K51 A56 L57 D58	V39-R54 HydrophobicContact CG1-CB 4.08Å; T50-R54 VanDerWaalsContact O-CB 3.29Å; T50-R54 WeakPolarHBondContact O-CB 3.37Å; T50-R54 PolarHBondContact O-N 3.46Å; K51-R54 PolarHBondContact O-N 3.09Å; R54-A56 VanDerWaalsContact C-N 3.26Å; R54-A56 PolarHBondContact O-N 3.22Å; R54-L57 PolarHBondContact O-N 2.99Å; R54-D58 VanDerWaalsContact O-CG 3.31Å; R54-D58 PolarHBondContact O-N 3.13Å
55	S	90.8	Very high	85.3	Confident	62 Å²	62	64 Å²	64	43%	0.434	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-37.6	176.3	-175.3	0	0	0	0	112.6	K51 A52 A53 I59	K51-S55 PolarHBondContact O-N 3.5Å; A52-S55 PolarHBondContact O-N 3.45Å; A53-S55 PolarHBondContact O-N 2.79Å; S55-I59 WeakPolarHBondContact O-CD1 3.34Å; S55-I59 VanDerWaalsContact O-CG1 3.28Å; S55-I59 WeakPolarHBondContact O-CG1 3.46Å; S55-I59 PolarHBondContact O-N 3.31Å; S55-I59 VanDerWaalsContact O-N 3.15Å
56	A	90	Very high	83.5	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-44.7	177.4	0	0	0	0	0	111.7	L15 I19 L42 A52 A53 R54 D58 I59 I60	L15-A56 HydrophobicContact CD2-CB 3.73Å; I19-A56 HydrophobicContact CD1-CB 3.55Å; I19-A56 HydrophobicContact CG2-CB 4.14Å; L42-A56 HydrophobicContact CD2-CB 4.04Å; A52-A56 WeakPolarHBondContact O-CB 3.42Å; A52-A56 PolarHBondContact O-N 2.97Å; A53-A56 WeakPolarHBondContact O-CB 3.01Å; A53-A56 PolarHBondContact O-N 2.96Å; R54-A56 VanDerWaalsContact C-N 3.26Å; R54-A56 PolarHBondContact O-N 3.22Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.31Å; A56-I59 WeakPolarHBondContact O-CB 3.26Å; A56-I59 PolarHBondContact O-N 2.98Å; A56-I59 VanDerWaalsContact O-N 3.14Å; A56-I60 WeakPolarHBondContact O-CD1 3.36Å; A56-I60 VanDerWaalsContact O-CG1 3.27Å; A56-I60 WeakPolarHBondContact O-CG1 3.5Å; A56-I60 PolarHBondContact O-N 2.93Å
57	L	88.4	Confident	81.3	Confident	19 Å²	19	66 Å²	66	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-41.7	175.6	-154.7	94.3	0	0	0	111.2	L37 V39 L42 A53 R54 I59 I60 H61	L37-L57 VanDerWaalsContact O-CD1 3.27Å; L37-L57 WeakPolarHBondContact O-CD1 3.21Å; V39-L57 HydrophobicContact CG2-CD2 4.18Å; L42-L57 HydrophobicContact CD2-CB 4.34Å; L42-L57 HydrophobicContact CD2-CD1 4.06Å; A53-L57 PolarHBondContact O-N 3.39Å; R54-L57 PolarHBondContact O-N 2.99Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.21Å; L57-I60 PolarHBondContact O-N 2.96Å; L57-H61 WeakPolarHBondContact CD2-NE2 3.32Å; L57-H61 WeakPolarHBondContact O-CB 3.48Å; L57-H61 PolarHBondContact O-CD2 3.47Å; L57-H61 PolarHBondContact O-N 2.83Å
58	D	85.4	Confident	78.9	Confident	76 Å²	76	65.5 Å²	65.5	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-33.5	176	-70.8	-20.3	0	0	0	112.4	R54 A56 R62	R54-D58 VanDerWaalsContact O-CG 3.31Å; R54-D58 PolarHBondContact O-N 3.13Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.31Å; D58-R62 VanDerWaalsContact O-CB 3.28Å; D58-R62 WeakPolarHBondContact O-CB 3.45Å; D58-R62 VanDerWaalsContact O-CG 3.24Å; D58-R62 WeakPolarHBondContact O-CG 3.45Å; D58-R62 PolarHBondContact O-N 3.04Å; D58-R62 VanDerWaalsContact O-N 3.09Å; D58-R62 PolarHBondContact O-NE 3.37Å
59	I	85.2	Confident	76.2	Confident	25 Å²	25	71.8 Å²	71.8	13%	0.128	35%	0.354	C	S	.	.	H	α-helix	trans	-70	-47.8	173	-68.1	163.4	0	0	0	109.7	P14 L15 S55 A56 L57 H61 R62 Y63	P14-I59 HydrophobicContact CG-CG2 3.89Å; L15-I59 HydrophobicContact CD2-CB 4.14Å; L15-I59 HydrophobicContact CD2-CD1 4.28Å; L15-I59 HydrophobicContact CD2-CG2 4.11Å; S55-I59 WeakPolarHBondContact O-CD1 3.34Å; S55-I59 VanDerWaalsContact O-CG1 3.28Å; S55-I59 WeakPolarHBondContact O-CG1 3.46Å; S55-I59 PolarHBondContact O-N 3.31Å; S55-I59 VanDerWaalsContact O-N 3.15Å; A56-I59 WeakPolarHBondContact O-CB 3.26Å; A56-I59 PolarHBondContact O-N 2.98Å; A56-I59 VanDerWaalsContact O-N 3.14Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.21Å; I59-H61 PolarHBondContact O-N 3.4Å; I59-R62 PolarHBondContact O-N 2.91Å; I59-Y63 HydrophobicContact CG2-CD2 3.82Å; I59-Y63 HydrophobicContact CG2-CE2 4.06Å; I59-Y63 WeakPolarHBondContact O-CB 3.3Å; I59-Y63 WeakPolarHBondContact O-CD2 3.38Å; I59-Y63 PolarHBondContact O-N 2.76Å
60	I	84	Confident	73.4	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-47.9	179.4	-69.9	160.1	0	0	0	110.5	L13 L15 I31 V34 V35 A56 L57 Y63 N64	L13-I60 HydrophobicContact CD1-CB 4.48Å; L13-I60 HydrophobicContact CD1-CG1 3.7Å; L15-I60 HydrophobicContact CD1-CD1 4.22Å; L15-I60 HydrophobicContact CD1-CG1 4.16Å; L15-I60 HydrophobicContact CD2-CG1 4.39Å; I31-I60 HydrophobicContact CG2-CG2 4.14Å; V34-I60 HydrophobicContact CB-CD1 4.47Å; V34-I60 HydrophobicContact CG1-CD1 3.67Å; V35-I60 HydrophobicContact CG2-CG2 3.8Å; A56-I60 WeakPolarHBondContact O-CD1 3.36Å; A56-I60 VanDerWaalsContact O-CG1 3.27Å; A56-I60 WeakPolarHBondContact O-CG1 3.5Å; A56-I60 PolarHBondContact O-N 2.93Å; L57-I60 PolarHBondContact O-N 2.96Å; I60-Y63 PolarHBondContact O-N 3.3Å; I60-N64 VanDerWaalsContact O-CB 3.28Å; I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.33Å
61	H	83.2	Confident	70.3	Confident	56 Å²	56	72.2 Å²	72.2	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-43	176.8	-75.6	-56.1	0	0	0	112.4	V35 L57 I59 Y63 N64 Q65	V35-H61 PolarHBondContact O-CE1 3.07Å; L57-H61 WeakPolarHBondContact CD2-NE2 3.32Å; L57-H61 WeakPolarHBondContact O-CB 3.48Å; L57-H61 PolarHBondContact O-CD2 3.47Å; L57-H61 PolarHBondContact O-N 2.83Å; I59-H61 PolarHBondContact O-N 3.4Å; H61-Y63 VanDerWaalsContact C-N 3.34Å; H61-Y63 PolarHBondContact O-N 2.91Å; H61-N64 PolarHBondContact O-N 3.31Å; H61-Q65 VanDerWaalsContact O-CB 3.26Å; H61-Q65 WeakPolarHBondContact O-CB 3.48Å; H61-Q65 WeakPolarHBondContact O-CG 3.48Å; H61-Q65 PolarHBondContact O-N 2.94Å
62	R	75.7	Confident	67.5	Low	145 Å²	145	69 Å²	69	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.8	-81.3	-177.4	-70.9	160.3	-7.2	112.8	D58 I59 Q65 S66	D58-R62 VanDerWaalsContact O-CB 3.28Å; D58-R62 WeakPolarHBondContact O-CB 3.45Å; D58-R62 VanDerWaalsContact O-CG 3.24Å; D58-R62 WeakPolarHBondContact O-CG 3.45Å; D58-R62 PolarHBondContact O-N 3.04Å; D58-R62 VanDerWaalsContact O-N 3.09Å; D58-R62 PolarHBondContact O-NE 3.37Å; I59-R62 PolarHBondContact O-N 2.91Å; R62-Q65 PolarHBondContact O-N 3.4Å; R62-S66 VanDerWaalsContact O-CB 3.25Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 2.73Å; R62-S66 PolarHBondContact O-OG 2.99Å
63	Y	70.2	Confident	64.8	Low	85 Å²	85	72.6 Å²	72.6	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-74.9	-33	177.2	-89.4	-99	0	0	0	112.6	L13 P14 I59 I60 H61 Q65 S66 S67	L13-Y63 HydrophobicContact CD2-CD1 3.47Å; L13-Y63 VanDerWaalsContact CD2-CD1 3.47Å; L13-Y63 HydrophobicContact CD2-CD2 3.81Å; L13-Y63 HydrophobicContact CD2-CE1 4.22Å; L13-Y63 HydrophobicContact CD2-CG 3.21Å; P14-Y63 HydrophobicContact CG-CE2 3.74Å; I59-Y63 HydrophobicContact CG2-CD2 3.82Å; I59-Y63 HydrophobicContact CG2-CE2 4.06Å; I59-Y63 WeakPolarHBondContact O-CB 3.3Å; I59-Y63 WeakPolarHBondContact O-CD2 3.38Å; I59-Y63 PolarHBondContact O-N 2.76Å; I60-Y63 PolarHBondContact O-N 3.3Å; H61-Y63 VanDerWaalsContact C-N 3.34Å; H61-Y63 PolarHBondContact O-N 2.91Å; Y63-Q65 VanDerWaalsContact C-N 3.32Å; Y63-S66 VanDerWaalsContact CA-OG 3.29Å; Y63-S66 WeakPolarHBondContact CA-OG 3.36Å; Y63-S66 PolarHBondContact O-OG 3.47Å; Y63-S67 PolarHBondContact O-N 3.02Å; Y63-S67 PolarHBondContact O-OG 3.33Å
64	N	69.1	Low	61.8	Low	66 Å²	66	77.9 Å²	77.9	35%	0.353	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-38.7	169.1	-164	52.9	0	0	0	111.1	I31 V35 I60 H61 I68	I31-N64 HydrophobicContact CG2-CB 4.36Å; V35-N64 HydrophobicContact CG2-CB 4.23Å; I60-N64 VanDerWaalsContact O-CB 3.28Å; I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.33Å; H61-N64 PolarHBondContact O-N 3.31Å; N64-I68 WeakPolarHBondContact O-CG1 3.35Å
65	Q	59.5	Low	59.2	Low	114 Å²	114	74 Å²	74	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-79.7	-36.6	179.7	-73.9	172.7	-1.5	0	0	114.4	H61 R62 Y63 S67 I68	H61-Q65 VanDerWaalsContact O-CB 3.26Å; H61-Q65 WeakPolarHBondContact O-CB 3.48Å; H61-Q65 WeakPolarHBondContact O-CG 3.48Å; H61-Q65 PolarHBondContact O-N 2.94Å; R62-Q65 PolarHBondContact O-N 3.4Å; Y63-Q65 VanDerWaalsContact C-N 3.32Å; Q65-S67 PolarHBondContact O-N 3.26Å; Q65-I68 HydrophobicContact CG-CD1 4.34Å; Q65-I68 WeakPolarHBondContact O-CA 3.39Å; Q65-I68 WeakPolarHBondContact O-CB 3.47Å; Q65-I68 WeakPolarHBondContact O-CG1 3.46Å; Q65-I68 PolarHBondContact O-N 3.3Å
66	S	50.3	Low	56.5	Low	56 Å²	56	75.4 Å²	75.4	39%	0.392	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-17.1	177.1	50.1	0	0	0	0	112.7	R62 Y63 I68	R62-S66 VanDerWaalsContact O-CB 3.25Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 2.73Å; R62-S66 PolarHBondContact O-OG 2.99Å; Y63-S66 VanDerWaalsContact CA-OG 3.29Å; Y63-S66 WeakPolarHBondContact CA-OG 3.36Å; Y63-S66 PolarHBondContact O-OG 3.47Å; S66-I68 VanDerWaalsContact C-N 3.26Å
67	S	45.4	Very low	53.8	Low	25 Å²	25	77 Å²	77	18%	0.175	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.2	166.3	-50.1	0	0	0	0	112.6	R8 Y63 Q65 M71	R8-S67 VanDerWaalsContact CZ-OG 3.22Å; R8-S67 PolarHBondContact NE-OG 3.09Å; R8-S67 PolarHBondContact NH2-OG 3.29Å; Y63-S67 PolarHBondContact O-N 3.02Å; Y63-S67 PolarHBondContact O-OG 3.33Å; Q65-S67 PolarHBondContact O-N 3.26Å; S67-M71 WeakPolarHBondContact O-CG 3.43Å; S67-M71 PolarHBondContact O-N 2.83Å
68	I	39.7	Very low	51.6	Low	55 Å²	55	81.5 Å²	81.5	28%	0.282	44%	0.437	S	S	.	.	S	Bend	trans	-82.3	-15.6	174.9	-48.7	177.6	0	0	0	110.9	N64 Q65 S66 I73 I76	N64-I68 WeakPolarHBondContact O-CG1 3.35Å; Q65-I68 HydrophobicContact CG-CD1 4.34Å; Q65-I68 WeakPolarHBondContact O-CA 3.39Å; Q65-I68 WeakPolarHBondContact O-CB 3.47Å; Q65-I68 WeakPolarHBondContact O-CG1 3.46Å; Q65-I68 PolarHBondContact O-N 3.3Å; S66-I68 VanDerWaalsContact C-N 3.26Å; I68-I73 HydrophobicContact CG2-CG1 4.4Å; I68-I76 HydrophobicContact CB-CD1 4.38Å; I68-I76 HydrophobicContact CD1-CD1 4.49Å; I68-I76 HydrophobicContact CG1-CD1 3.82Å; I68-I76 HydrophobicContact CG2-CD1 4.24Å
69	E	33.9	Very low	49.4	Very low	163 Å²	163	87.4 Å²	87.4	76%	0.762	46%	0.455	S	S	*	.	S	Bend	trans	-93.7	-11.9	178.2	-72.6	-175.9	163.7	0	0	114
70	C	34.3	Very low	47.5	Very low	124 Å²	124	88.7 Å²	88.7	84%	0.838	47%	0.474	S	S	*	.	S	Bend	trans	-115.2	7.6	171.7	-74.4	0	0	0	0	113.3
71	M	27.9	Very low	45.9	Very low	77 Å²	77	95.3 Å²	95.3	38%	0.379	51%	0.509	S	S	.	.	S	Bend	trans	-108.7	125.7	154.4	-66.8	-145.9	144.7	0	0	105.2	P5 S67 I73	P5-M71 HydrophobicContact CB-CE 3.15Å; P5-M71 HydrophobicContact CB-SD 4.15Å; P5-M71 HydrophobicContact CG-CE 3.85Å; S67-M71 WeakPolarHBondContact O-CG 3.43Å; S67-M71 PolarHBondContact O-N 2.83Å; M71-I73 PolarHBondContact O-N 3.28Å
72	D	30.2	Very low	44.8	Very low	110 Å²	110	95.7 Å²	95.7	59%	0.588	52%	0.517	S	S	*	.			trans	-38.9	122.2	171.8	-160	5.2	0	0	0	108.8	N74 S75	D72-N74 HydrophobicContact CB-CB 4.3Å; D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 PolarHBondContact OD1-ND2 3.25Å; D72-N74 PolarHBondContact OD2-ND2 2.81Å; D72-S75 WeakPolarHBondContact O-CB 3.45Å; D72-S75 PolarHBondContact O-N 3.47Å; D72-S75 PolarHBondContact O-OG 3.22Å
73	I	34.4	Very low	45	Very low	106 Å²	106	92.4 Å²	92.4	54%	0.544	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-13.2	179.7	-73.3	170	0	0	0	110.8	I68 M71 S75	I68-I73 HydrophobicContact CG2-CG1 4.4Å; M71-I73 PolarHBondContact O-N 3.28Å; I73-S75 VanDerWaalsContact C-N 3.33Å; I73-S75 PolarHBondContact O-N 3.3Å
74	N	29.5	Very low	45.4	Very low	111 Å²	111	92.4 Å²	92.4	59%	0.594	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.1	168.3	-63.2	-31.3	0	0	0	116	D72	D72-N74 HydrophobicContact CB-CB 4.3Å; D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 PolarHBondContact OD1-ND2 3.25Å; D72-N74 PolarHBondContact OD2-ND2 2.81Å
75	S	35.4	Very low	46	Very low	76 Å²	76	98.4 Å²	98.4	53%	0.531	55%	0.549	S	S	.	.	S	Bend	trans	-104.1	-17.3	-170.4	62.9	0	0	0	0	115	D72 I73 G77	D72-S75 WeakPolarHBondContact O-CB 3.45Å; D72-S75 PolarHBondContact O-N 3.47Å; D72-S75 PolarHBondContact O-OG 3.22Å; I73-S75 VanDerWaalsContact C-N 3.33Å; I73-S75 PolarHBondContact O-N 3.3Å; S75-G77 PolarHBondContact O-N 2.9Å
76	I	33.8	Very low	46.8	Very low	93 Å²	93	96.9 Å²	96.9	48%	0.477	54%	0.544	S	S	.	.	S	Bend	trans	-100.6	77.2	165.3	-63.2	169.3	0	0	0	106.3	I68 V78	I68-I76 HydrophobicContact CB-CD1 4.38Å; I68-I76 HydrophobicContact CD1-CD1 4.49Å; I68-I76 HydrophobicContact CG1-CD1 3.82Å; I68-I76 HydrophobicContact CG2-CD1 4.24Å; I76-V78 PolarHBondContact O-N 3.46Å
77	G	34.2	Very low	47.9	Very low	35 Å²	35	98.7 Å²	98.7	36%	0.361	55%	0.549	S	S	.	.			trans	-71.1	82.6	-161.3	0	0	0	0	0	115.5	S75 Y79 G80	S75-G77 PolarHBondContact O-N 2.9Å; G77-Y79 PolarHBondContact O-N 2.77Å; G77-G80 VanDerWaalsContact CA-N 3.3Å; G77-G80 PolarHBondContact O-N 2.82Å
78	V	42.8	Very low	49.3	Very low	114 Å²	114	101.2 Å²	101.2	69%	0.691	56%	0.56	S	S	*	*	S	Bend	trans	-62.8	-18.7	141.9	-171.6	0	0	0	0	109.5	I76 L81	I76-V78 PolarHBondContact O-N 3.46Å; V78-L81 WeakPolarHBondContact O-CD1 3.47Å; V78-L81 VanDerWaalsContact O-CG 3.32Å; V78-L81 WeakPolarHBondContact O-CG 3.03Å
79	Y	38.8	Very low	50.8	Low	200 Å²	200	99.6 Å²	99.6	78%	0.784	56%	0.557	S	S	*	*	S	Bend	trans	-96.8	-2	169	-70.6	-79.3	0	0	0	115	G77 L81	G77-Y79 PolarHBondContact O-N 2.77Å; Y79-L81 VanDerWaalsContact C-N 3.31Å
80	G	45.9	Very low	52.3	Low	52 Å²	52	94.6 Å²	94.6	54%	0.536	54%	0.544	S	S	.	.			trans	-96.3	19.4	169.1	0	0	0	0	0	112.3	G77 C82	G77-G80 VanDerWaalsContact CA-N 3.3Å; G77-G80 PolarHBondContact O-N 2.82Å; G80-C82 PolarHBondContact O-N 3.4Å
81	L	49.6	Very low	53.6	Low	139 Å²	139	92.7 Å²	92.7	73%	0.728	53%	0.532	S	S	*	.			trans	-61.1	92.1	170.2	-74.8	167.7	0	0	0	107.9	V78 Y79	V78-L81 WeakPolarHBondContact O-CD1 3.47Å; V78-L81 VanDerWaalsContact O-CG 3.32Å; V78-L81 WeakPolarHBondContact O-CG 3.03Å; Y79-L81 VanDerWaalsContact C-N 3.31Å
82	C	60.4	Low	55	Low	63 Å²	63	94.6 Å²	94.6	43%	0.426	54%	0.54	S	S	.	.			trans	-63.2	134	164.1	35.6	0	0	0	0	107.7	G80 D86 L87	G80-C82 PolarHBondContact O-N 3.4Å; C82-D86 HydrophobicContact CB-CB 3.67Å; C82-L87 HydrophobicContact CB-CD2 4.33Å; C82-L87 HydrophobicContact CB-CG 4.07Å; C82-L87 WeakPolarHBondContact SG-CD2 3.37Å; C82-L87 VanDerWaalsContact SG-CG 3.53Å
83	T	78.9	Confident	55.9	Low	76 Å²	76	92 Å²	92	47%	0.466	53%	0.528	S	S	.	.			trans	-62	160.2	167.3	65.6	0	0	0	0	109	W85 D86 L87	T83-W85 PolarHBondContact O-N 3.26Å; T83-W85 VanDerWaalsContact O-N 3.09Å; T83-W85 WeakPolarHBondContact OG1-CB 3.16Å; T83-W85 PolarHBondContact OG1-N 2.94Å; T83-D86 WeakPolarHBondContact CB-OD2 3.42Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.33Å; T83-D86 PolarHBondContact N-OD2 3.24Å; T83-D86 PolarHBondContact O-N 3.04Å; T83-D86 PolarHBondContact OG1-N 3.18Å; T83-D86 PolarHBondContact OG1-OD2 3.24Å; T83-L87 PolarHBondContact O-N 3.04Å
84	A	80.2	Confident	56.4	Low	86 Å²	86	90.7 Å²	90.7	71%	0.711	53%	0.525	S	S	*	.	H	α-helix	trans	-55	-29.2	171	0	0	0	0	0	111.6	L88	A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 PolarHBondContact O-N 3.05Å
85	W	80	Confident	57.2	Low	191 Å²	191	89.6 Å²	89.6	72%	0.723	52%	0.519	S	S	*	.	H	α-helix	trans	-68.1	-43.1	172.8	-174.6	-98.6	0	0	0	112.6	T83 L87 L88 G89	T83-W85 PolarHBondContact O-N 3.26Å; T83-W85 VanDerWaalsContact O-N 3.09Å; T83-W85 WeakPolarHBondContact OG1-CB 3.16Å; T83-W85 PolarHBondContact OG1-N 2.94Å; W85-L87 VanDerWaalsContact C-N 3.32Å; W85-L87 PolarHBondContact O-N 3.35Å; W85-L88 HydrophobicContact CE3-CD2 4.37Å; W85-L88 HydrophobicContact CZ3-CD2 4.36Å; W85-L88 CarbonylContact O-C 3.56Å; W85-L88 WeakPolarHBondContact O-CB 3.32Å; W85-L88 PolarHBondContact O-N 3.14Å; W85-G89 PolarHBondContact O-N 2.93Å
86	D	77.2	Confident	57.4	Low	82 Å²	82	94.7 Å²	94.7	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-66.1	-35.5	177.1	-58.1	-43	0	0	0	111.6	C82 T83 G89 A90	C82-D86 HydrophobicContact CB-CB 3.67Å; T83-D86 WeakPolarHBondContact CB-OD2 3.42Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.33Å; T83-D86 PolarHBondContact N-OD2 3.24Å; T83-D86 PolarHBondContact O-N 3.04Å; T83-D86 PolarHBondContact OG1-N 3.18Å; T83-D86 PolarHBondContact OG1-OD2 3.24Å; D86-G89 PolarHBondContact O-N 2.77Å; D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 2.81Å
87	L	74.3	Confident	57.8	Low	95 Å²	95	97.8 Å²	97.8	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-66.2	-41.3	172.3	-74.9	174.3	0	0	0	112.1	C82 T83 W85 S91	C82-L87 HydrophobicContact CB-CD2 4.33Å; C82-L87 HydrophobicContact CB-CG 4.07Å; C82-L87 WeakPolarHBondContact SG-CD2 3.37Å; C82-L87 VanDerWaalsContact SG-CG 3.53Å; T83-L87 PolarHBondContact O-N 3.04Å; W85-L87 VanDerWaalsContact C-N 3.32Å; W85-L87 PolarHBondContact O-N 3.35Å; L87-S91 WeakPolarHBondContact O-CB 3.29Å; L87-S91 PolarHBondContact O-N 2.86Å; L87-S91 PolarHBondContact O-OG 2.95Å
88	L	74.6	Confident	58	Low	77 Å²	77	98.4 Å²	98.4	40%	0.403	55%	0.55	S	S	.	*	H	α-helix	trans	-65.1	-44.7	175	-172.6	63.2	0	0	0	110.6	A84 W85 S91 Q92	A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 PolarHBondContact O-N 3.05Å; W85-L88 HydrophobicContact CE3-CD2 4.37Å; W85-L88 HydrophobicContact CZ3-CD2 4.36Å; W85-L88 CarbonylContact O-C 3.56Å; W85-L88 WeakPolarHBondContact O-CB 3.32Å; W85-L88 PolarHBondContact O-N 3.14Å; L88-S91 CarbonylContact O-C 3.53Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.47Å; L88-Q92 HydrophobicContact CD1-CG 4.39Å; L88-Q92 VanDerWaalsContact CD1-NE2 3.32Å; L88-Q92 HydrophobicContact CG-CG 4.45Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 VanDerWaalsContact O-CG 3.27Å; L88-Q92 WeakPolarHBondContact O-CG 3.43Å; L88-Q92 PolarHBondContact O-N 3.13Å
89	G	69.6	Low	58	Low	22 Å²	22	99.4 Å²	99.4	23%	0.227	56%	0.559	C	S	.	*	H	α-helix	trans	-59.6	-48.8	174.4	0	0	0	0	0	111.2	W85 D86 S91 Q92 T93	W85-G89 PolarHBondContact O-N 2.93Å; D86-G89 PolarHBondContact O-N 2.77Å; G89-S91 PolarHBondContact O-N 3.32Å; G89-Q92 CarbonylContact O-C 3.6Å; G89-Q92 PolarHBondContact O-N 3.13Å; G89-T93 VanDerWaalsContact O-CA 3.29Å; G89-T93 WeakPolarHBondContact O-CA 3.47Å; G89-T93 VanDerWaalsContact O-CB 3.31Å; G89-T93 WeakPolarHBondContact O-CB 3.4Å; G89-T93 WeakPolarHBondContact O-CG2 3.17Å; G89-T93 PolarHBondContact O-N 3.13Å; G89-T93 PolarHBondContact O-OG1 2.77Å
90	A	66.1	Low	58.2	Low	58 Å²	58	93.2 Å²	93.2	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-59.3	-35.4	175.6	0	0	0	0	0	112.3	D86 T93	D86-A90 VanDerWaalsContact O-CB 3.24Å; D86-A90 WeakPolarHBondContact O-CB 3.24Å; D86-A90 PolarHBondContact O-N 2.81Å; A90-T93 PolarHBondContact O-OG1 3.48Å
91	S	62.5	Low	57.5	Low	83 Å²	83	100 Å²	100	58%	0.58	56%	0.56	S	S	*	*	H	α-helix	trans	-74.2	-30.3	175.5	-57.1	0	0	0	0	113.2	L87 L88 G89	L87-S91 WeakPolarHBondContact O-CB 3.29Å; L87-S91 PolarHBondContact O-N 2.86Å; L87-S91 PolarHBondContact O-OG 2.95Å; L88-S91 CarbonylContact O-C 3.53Å; L88-S91 WeakPolarHBondContact O-CB 3.25Å; L88-S91 PolarHBondContact O-N 3.47Å; G89-S91 PolarHBondContact O-N 3.32Å
92	Q	57	Low	56.8	Low	118 Å²	118	95.4 Å²	95.4	55%	0.551	55%	0.546	S	S	*	.	H	α-helix	trans	-98.1	-16	-177.8	-69.9	-178.2	8.3	0	0	114.2	L88 G89 V94	L88-Q92 HydrophobicContact CD1-CG 4.39Å; L88-Q92 VanDerWaalsContact CD1-NE2 3.32Å; L88-Q92 HydrophobicContact CG-CG 4.45Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 VanDerWaalsContact O-CG 3.27Å; L88-Q92 WeakPolarHBondContact O-CG 3.43Å; L88-Q92 PolarHBondContact O-N 3.13Å; G89-Q92 CarbonylContact O-C 3.6Å; G89-Q92 PolarHBondContact O-N 3.13Å; Q92-V94 PolarHBondContact O-N 2.97Å
93	T	47.9	Very low	56.1	Low	55 Å²	55	100.1 Å²	100.1	34%	0.337	56%	0.559	S	S	.	*			trans	-53	112	-166.8	33.9	0	0	0	0	109.6	G89 A90 R104	G89-T93 VanDerWaalsContact O-CA 3.29Å; G89-T93 WeakPolarHBondContact O-CA 3.47Å; G89-T93 VanDerWaalsContact O-CB 3.31Å; G89-T93 WeakPolarHBondContact O-CB 3.4Å; G89-T93 WeakPolarHBondContact O-CG2 3.17Å; G89-T93 PolarHBondContact O-N 3.13Å; G89-T93 PolarHBondContact O-OG1 2.77Å; A90-T93 PolarHBondContact O-OG1 3.48Å; T93-R104 WeakPolarHBondContact O-CD 3.41Å; T93-R104 WeakPolarHBondContact O-CG 3.41Å; T93-R104 PolarHBondContact O-NE 2.9Å; T93-R104 PolarHBondContact OG1-NH1 3.01Å
94	V	46.7	Very low	54.9	Low	79 Å²	79	100.8 Å²	100.8	48%	0.479	55%	0.553	S	S	.	*			trans	-67.2	133.8	175.9	-171.5	0	0	0	0	106.4	Q92 E96	Q92-V94 PolarHBondContact O-N 2.97Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.83Å
95	D	46	Very low	53.9	Low	88 Å²	88	98.7 Å²	98.7	47%	0.471	53%	0.527	S	S	.	.			trans	-72.4	97.6	169.1	-142.1	2.1	0	0	0	105.7	N97 S98	D95-N97 PolarHBondContact O-N 3.08Å; D95-S98 PolarHBondContact O-N 3.25Å
96	E	39.8	Very low	54.1	Low	182 Å²	182	92.5 Å²	92.5	85%	0.85	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-14.5	-174.4	-67.9	-172.5	162.3	0	0	113.1	V94	V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.83Å
97	N	41.3	Very low	54.8	Low	158 Å²	158	91.5 Å²	91.5	85%	0.845	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	5.9	177.5	-66.8	-36.3	0	0	0	114.3	D95	D95-N97 PolarHBondContact O-N 3.08Å
98	S	39.4	Very low	55.8	Low	48 Å²	48	87.2 Å²	87.2	34%	0.336	48%	0.476	S	S	.	.	S	Bend	trans	-93.3	124.6	171.8	-178.1	0	0	0	0	109.7	D95 V100	D95-S98 PolarHBondContact O-N 3.25Å; S98-V100 PolarHBondContact O-N 3.16Å
99	P	41.1	Very low	56.8	Low	135 Å²	135	85.2 Å²	85.2	88%	0.877	47%	0.468	S	S	*	.	S	Bend	trans	-69.4	7.7	-178.6	29.3	-34.7	0	0	0	114.1
100	V	44.6	Very low	58	Low	70 Å²	70	84.3 Å²	84.3	42%	0.424	46%	0.457	S	S	.	.	S	Bend	trans	-110.8	106.7	176	-173.8	0	0	0	0	107.5	S98 G102	S98-V100 PolarHBondContact O-N 3.16Å; V100-G102 PolarHBondContact O-N 3.42Å; V100-G102 VanDerWaalsContact O-N 3.13Å
101	E	30.3	Very low	59.3	Low	195 Å²	195	83.3 Å²	83.3	91%	0.911	44%	0.443	S	S	*	.			trans	-52	116.1	167.5	-73.1	-179.4	152.5	0	0	109.5
102	G	36	Very low	60.8	Low	42 Å²	42	79.4 Å²	79.4	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	119.9	113.1	158.9	0	0	0	0	0	116.7	V100	V100-G102 PolarHBondContact O-N 3.42Å; V100-G102 VanDerWaalsContact O-N 3.13Å
103	K	45.8	Very low	62.6	Low	163 Å²	163	82.1 Å²	82.1	71%	0.709	42%	0.421	S	S	*	.			trans	65.7	118	161	-63	175.4	-179.4	172.5	0	116.1	Y105	K103-Y105 PolarHBondContact O-N 2.98Å; K103-Y105 VanDerWaalsContact O-N 3.17Å
104	R	52.8	Low	64.7	Low	89 Å²	89	80.9 Å²	80.9	34%	0.336	42%	0.415	S	S	.	.			trans	-50.1	123.7	163.5	-86.3	176.1	179.1	169.3	7.5	110.2	T93 N106	T93-R104 WeakPolarHBondContact O-CD 3.41Å; T93-R104 WeakPolarHBondContact O-CG 3.41Å; T93-R104 PolarHBondContact O-NE 2.9Å; T93-R104 PolarHBondContact OG1-NH1 3.01Å; R104-N106 PolarHBondContact O-N 3.03Å
105	Y	59.7	Low	67	Low	42 Å²	42	77.2 Å²	77.2	17%	0.165	39%	0.392	C	S	.	.			trans	-65.8	86.9	170.2	-53.1	-71.4	0	0	0	108.4	K103 Y107 S157 L159	K103-Y105 PolarHBondContact O-N 2.98Å; K103-Y105 VanDerWaalsContact O-N 3.17Å; Y105-Y107 VanDerWaalsContact C-N 3.31Å; Y105-S157 VanDerWaalsContact CE1-CA 3.5Å; Y105-S157 WeakPolarHBondContact CE1-OG 3.49Å; Y105-S157 PolarHBondContact OH-OG 3.44Å; Y105-L159 WeakPolarHBondContact O-CD2 3.44Å
106	N	82.7	Confident	69.4	Low	61 Å²	61	74 Å²	74	33%	0.326	38%	0.375	S	S	.	.			trans	-102	27	176.1	-68.4	-27.5	0	0	0	110.2	R104 P124 T125	R104-N106 PolarHBondContact O-N 3.03Å; N106-P124 CarbonylContact O-C 3.57Å; N106-P124 VanDerWaalsContact O-CA 3.3Å; N106-P124 WeakPolarHBondContact O-CA 2.99Å; N106-T125 VanDerWaalsContact CA-OG1 3.28Å; N106-T125 WeakPolarHBondContact CA-OG1 3.5Å; N106-T125 WeakPolarHBondContact CB-OG1 3.31Å; N106-T125 PolarHBondContact O-N 3.22Å; N106-T125 PolarHBondContact O-OG1 2.95Å; N106-T125 VanDerWaalsContact O-OG1 3.06Å
107	Y	92.8	Very high	71.9	Confident	62 Å²	62	69.9 Å²	69.9	24%	0.243	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.7	-178.4	50.8	-92.6	0	0	0	111.5	Y105 V109 G121 F123	Y105-Y107 VanDerWaalsContact C-N 3.31Å; Y107-V109 HydrophobicContact CD2-CG1 4.28Å; Y107-V109 HydrophobicContact CE2-CG1 4.22Å; Y107-G121 VanDerWaalsContact CD2-C 3.46Å; Y107-G121 WeakPolarHBondContact CD2-O 3.13Å; Y107-G121 WeakPolarHBondContact CE2-O 3.33Å; Y107-F123 CarbonylContact C-O 3.57Å; Y107-F123 WeakPolarHBondContact CA-O 3.07Å
108	I	96.1	Very high	74.4	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	170.7	-57.9	162.1	0	0	0	107	G122 F123 N149 V150 L159 L241 A282	I108-G122 CarbonylContact O-C 3.13Å; I108-G122 WeakPolarHBondContact O-CA 3.37Å; I108-F123 HydrophobicContact CB-CB 4.31Å; I108-F123 PolarHBondContact N-O 3.46Å; I108-F123 PolarHBondContact O-N 3.26Å; I108-N149 HydrophobicContact CG2-CB 3.86Å; I108-V150 HydrophobicContact CD1-CB 3.87Å; I108-V150 HydrophobicContact CD1-CG2 3.7Å; I108-V150 HydrophobicContact CG1-CB 4.22Å; I108-V150 HydrophobicContact CG1-CG2 4.08Å; I108-V150 HydrophobicContact CG2-CB 4.31Å; I108-L159 HydrophobicContact CD1-CD1 4.31Å; I108-L159 HydrophobicContact CG1-CD1 3.61Å; I108-L159 HydrophobicContact CG1-CG 4.42Å; I108-L241 HydrophobicContact CD1-CB 3.83Å; I108-L241 HydrophobicContact CD1-CD1 3.85Å; I108-L241 HydrophobicContact CD1-CD2 4.38Å; I108-L241 HydrophobicContact CD1-CG 4.23Å; I108-A282 HydrophobicContact CD1-CB 3.69Å
109	V	95.2	Very high	76.9	Confident	36 Å²	36	61.7 Å²	61.7	22%	0.218	31%	0.311	C	S	.	.			trans	-59.9	142.8	177	-64.6	0	0	0	0	110.8	Y107 M111 N149 I152	Y107-V109 HydrophobicContact CD2-CG1 4.28Å; Y107-V109 HydrophobicContact CE2-CG1 4.22Å; V109-M111 HydrophobicContact CG2-CE 4.18Å; V109-N149 HydrophobicContact CG2-CB 4.41Å; V109-N149 WeakPolarHBondContact O-CB 3.25Å; V109-N149 PolarHBondContact O-ND2 3.09Å; V109-I152 HydrophobicContact CG2-CD1 4.06Å
110	S	94.6	Very high	79.2	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	29%	0.29	C	S	.	.			trans	-89.9	-11.4	177.6	69.7	0	0	0	0	113.6	C112 F115 D116 Q145	S110-C112 PolarHBondContact OG-N 2.7Å; S110-C112 PolarHBondContact OG-O 2.91Å; S110-F115 VanDerWaalsContact CB-CD1 3.41Å; S110-F115 VanDerWaalsContact OG-CD1 3.23Å; S110-F115 WeakPolarHBondContact OG-CD1 3.28Å; S110-D116 WeakPolarHBondContact CB-OD1 3.04Å; S110-D116 PolarHBondContact N-OD1 3.35Å; S110-D116 PolarHBondContact N-OD2 3.29Å; S110-D116 VanDerWaalsContact OG-CG 3.22Å; S110-D116 PolarHBondContact OG-OD1 3.47Å; S110-D116 PolarHBondContact OG-OD2 2.9Å; S110-Q145 WeakPolarHBondContact O-CG 3.4Å
111	M	93	Very high	81.3	Confident	38 Å²	38	54.7 Å²	54.7	19%	0.187	28%	0.277	C	S	.	.	S	Bend	trans	67.1	18.6	-167.7	-60.7	-76.7	177.4	0	0	113.7	V109 N149 I152 L184	V109-M111 HydrophobicContact CG2-CE 4.18Å; M111-N149 VanDerWaalsContact CG-ND2 3.3Å; M111-N149 WeakPolarHBondContact CG-ND2 3.44Å; M111-I152 HydrophobicContact CE-CD1 3.52Å; M111-L184 HydrophobicContact CE-CD1 3.82Å
112	C	94.5	Very high	84.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.			trans	-129.9	105.7	170.4	175.4	0	0	0	0	107.9	S110 S114 F115 D116 I375 D377	S110-C112 PolarHBondContact OG-N 2.7Å; S110-C112 PolarHBondContact OG-O 2.91Å; C112-S114 VanDerWaalsContact C-N 3.25Å; C112-S114 PolarHBondContact O-N 3.43Å; C112-S114 PolarHBondContact SG-OG 2.84Å; C112-F115 HydrophobicContact CB-CB 3.96Å; C112-F115 WeakPolarHBondContact O-CB 3.25Å; C112-F115 PolarHBondContact O-N 3.27Å; C112-D116 PolarHBondContact O-N 2.97Å; C112-I375 HydrophobicContact CB-CG2 3.9Å; C112-D377 VanDerWaalsContact C-OD1 3.32Å; C112-D377 WeakPolarHBondContact CA-OD1 3.36Å; C112-D377 PolarHBondContact SG-OD1 3.03Å
113	R	93.5	Very high	87.2	Confident	176 Å²	176	43.4 Å²	43.4	66%	0.664	21%	0.214	S	C	*	.	H	α-helix	trans	-53.2	-43.1	179.5	-178.2	177.1	178.3	174.4	4.5	112	F115 D116 D117 D377	R113-F115 VanDerWaalsContact C-N 3.26Å; R113-F115 PolarHBondContact O-N 3.03Å; R113-D116 PolarHBondContact O-N 3.17Å; R113-D117 WeakPolarHBondContact CG-OD2 3.33Å; R113-D117 IonicContact NE-OD2 3.45Å; R113-D117 VanDerWaalsContact O-CB 3.29Å; R113-D117 WeakPolarHBondContact O-CB 3.13Å; R113-D117 PolarHBondContact O-N 2.82Å; R113-D377 VanDerWaalsContact CB-OD2 3.24Å; R113-D377 WeakPolarHBondContact CB-OD2 3.2Å; R113-D377 PolarHBondContact N-OD1 3.46Å; R113-D377 PolarHBondContact N-OD2 3.36Å
114	S	93.1	Very high	89.5	Confident	29 Å²	29	36.7 Å²	36.7	20%	0.203	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-34	-180	75.6	0	0	0	0	112.5	C112 L118 Y367 D377	C112-S114 VanDerWaalsContact C-N 3.25Å; C112-S114 PolarHBondContact O-N 3.43Å; C112-S114 PolarHBondContact SG-OG 2.84Å; S114-L118 WeakPolarHBondContact O-CD1 3.32Å; S114-L118 WeakPolarHBondContact O-CG 3.23Å; S114-L118 PolarHBondContact O-N 3.45Å; S114-Y367 PolarHBondContact OG-N 3.15Å; S114-Y367 VanDerWaalsContact OG-N 3.11Å; S114-Y367 PolarHBondContact OG-O 3.36Å; S114-D377 PolarHBondContact N-OD1 2.76Å
115	F	95.4	Very high	91.4	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-73	-45.5	174	-178.4	-83.5	0	0	0	111.6	S110 C112 R113 D117 L118 L119 F123 L131 F142 V341 V353	S110-F115 VanDerWaalsContact CB-CD1 3.41Å; S110-F115 VanDerWaalsContact OG-CD1 3.23Å; S110-F115 WeakPolarHBondContact OG-CD1 3.28Å; C112-F115 HydrophobicContact CB-CB 3.96Å; C112-F115 WeakPolarHBondContact O-CB 3.25Å; C112-F115 PolarHBondContact O-N 3.27Å; R113-F115 VanDerWaalsContact C-N 3.26Å; R113-F115 PolarHBondContact O-N 3.03Å; F115-D117 PolarHBondContact O-N 2.86Å; F115-L118 PolarHBondContact O-N 3.48Å; F115-L119 HydrophobicContact CD1-CD1 4.07Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CG 4.25Å; F115-L119 HydrophobicContact CE2-CD1 4.48Å; F115-L119 HydrophobicContact CZ-CD1 3.52Å; F115-L119 HydrophobicContact CZ-CG 4.48Å; F115-L119 PolarHBondContact O-N 3.38Å; F115-F123 HydrophobicContact CE1-CD1 4.39Å; F115-F123 HydrophobicContact CE1-CD2 4.35Å; F115-F123 AromaticContact CE1-CE1 3.88Å; F115-F123 HydrophobicContact CE1-CE1 3.88Å; F115-F123 AromaticContact CE1-CE2 3.82Å; F115-F123 HydrophobicContact CE1-CE2 3.82Å; F115-F123 AromaticContact CE1-CZ 3.56Å; F115-F123 HydrophobicContact CE1-CZ 3.56Å; F115-F123 HydrophobicContact CZ-CD1 4.38Å; F115-F123 AromaticContact CZ-CE1 3.55Å; F115-F123 HydrophobicContact CZ-CE1 3.55Å; F115-F123 HydrophobicContact CZ-CE2 4.16Å; F115-F123 AromaticContact CZ-CZ 3.42Å; F115-F123 HydrophobicContact CZ-CZ 3.42Å; F115-F123 VanDerWaalsContact CZ-CZ 3.42Å; F115-L131 HydrophobicContact CE2-CD2 4.22Å; F115-L131 HydrophobicContact CZ-CD2 4.19Å; F115-F142 HydrophobicContact CB-CE1 4.38Å; F115-F142 HydrophobicContact CD1-CE1 4.26Å; F115-F142 HydrophobicContact CD2-CD1 4.36Å; F115-F142 AromaticContact CD2-CE1 3.46Å; F115-F142 HydrophobicContact CD2-CE1 3.46Å; F115-F142 VanDerWaalsContact CD2-CE1 3.46Å; F115-F142 AromaticContact CD2-CZ 3.69Å; F115-F142 HydrophobicContact CD2-CZ 3.69Å; F115-F142 HydrophobicContact CE1-CE1 4.41Å; F115-F142 HydrophobicContact CE2-CD1 4.16Å; F115-F142 AromaticContact CE2-CE1 3.68Å; F115-F142 HydrophobicContact CE2-CE1 3.68Å; F115-F142 HydrophobicContact CE2-CZ 4.04Å; F115-F142 AromaticContact CG-CE1 3.79Å; F115-F142 HydrophobicContact CG-CE1 3.79Å; F115-F142 HydrophobicContact CG-CZ 4.32Å; F115-F142 HydrophobicContact CZ-CD1 4.31Å; F115-F142 HydrophobicContact CZ-CE1 4.16Å; F115-V341 HydrophobicContact CE2-CG1 4.03Å; F115-V353 HydrophobicContact CD2-CB 4.43Å; F115-V353 HydrophobicContact CD2-CG1 4.49Å; F115-V353 HydrophobicContact CD2-CG2 3.84Å; F115-V353 HydrophobicContact CE2-CG2 4.2Å
116	D	95	Very high	92.8	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-40.8	-179.1	-67	-19.7	0	0	0	110.9	S110 C112 R113 L118 L119 G120 G121 G122	S110-D116 WeakPolarHBondContact CB-OD1 3.04Å; S110-D116 PolarHBondContact N-OD1 3.35Å; S110-D116 PolarHBondContact N-OD2 3.29Å; S110-D116 VanDerWaalsContact OG-CG 3.22Å; S110-D116 PolarHBondContact OG-OD1 3.47Å; S110-D116 PolarHBondContact OG-OD2 2.9Å; C112-D116 PolarHBondContact O-N 2.97Å; R113-D116 PolarHBondContact O-N 3.17Å; D116-L118 PolarHBondContact O-N 2.87Å; D116-L119 CarbonylContact O-C 3.58Å; D116-L119 PolarHBondContact O-N 3.17Å; D116-G120 CarbonylContact O-C 3.43Å; D116-G120 PolarHBondContact O-N 3.14Å; D116-G121 PolarHBondContact O-N 3.25Å; D116-G122 VanDerWaalsContact OD1-CA 3.31Å; D116-G122 WeakPolarHBondContact OD1-CA 3.16Å
117	D	93.1	Very high	93.2	Very high	96 Å²	96	34.8 Å²	34.8	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-40.6	176.9	-74.1	-19.8	0	0	0	112	R113 F115 L119 G120	R113-D117 WeakPolarHBondContact CG-OD2 3.33Å; R113-D117 IonicContact NE-OD2 3.45Å; R113-D117 VanDerWaalsContact O-CB 3.29Å; R113-D117 WeakPolarHBondContact O-CB 3.13Å; R113-D117 PolarHBondContact O-N 2.82Å; F115-D117 PolarHBondContact O-N 2.86Å; D117-L119 PolarHBondContact O-N 3.22Å; D117-G120 PolarHBondContact O-N 3.41Å
118	L	93.5	Very high	93.2	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-41.8	176.2	-73.1	172.1	0	0	0	112	S114 F115 D116 V353 L355 G364	S114-L118 WeakPolarHBondContact O-CD1 3.32Å; S114-L118 WeakPolarHBondContact O-CG 3.23Å; S114-L118 PolarHBondContact O-N 3.45Å; F115-L118 PolarHBondContact O-N 3.48Å; D116-L118 PolarHBondContact O-N 2.87Å; L118-V353 HydrophobicContact CD1-CG1 3.7Å; L118-V353 HydrophobicContact CD1-CG2 4.17Å; L118-L355 HydrophobicContact CD2-CB 4.48Å; L118-L355 WeakPolarHBondContact O-CD2 3.41Å; L118-G364 VanDerWaalsContact CD2-CA 3.5Å
119	L	92.4	Very high	93.2	Very high	10 Å²	10	32 Å²	32	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-87.6	-7.6	179.3	-64.3	-175.9	0	0	0	113.9	F115 D116 D117 G122 F123 V341 L355	F115-L119 HydrophobicContact CD1-CD1 4.07Å; F115-L119 HydrophobicContact CE1-CD1 3.3Å; F115-L119 HydrophobicContact CE1-CG 4.25Å; F115-L119 HydrophobicContact CE2-CD1 4.48Å; F115-L119 HydrophobicContact CZ-CD1 3.52Å; F115-L119 HydrophobicContact CZ-CG 4.48Å; F115-L119 PolarHBondContact O-N 3.38Å; D116-L119 CarbonylContact O-C 3.58Å; D116-L119 PolarHBondContact O-N 3.17Å; D117-L119 PolarHBondContact O-N 3.22Å; L119-G122 WeakPolarHBondContact CB-O 3.48Å; L119-G122 WeakPolarHBondContact CD1-O 3.39Å; L119-F123 HydrophobicContact CD1-CD1 4.44Å; L119-V341 HydrophobicContact CD2-CG2 3.93Å; L119-L355 HydrophobicContact CD2-CD1 3.73Å
120	G	88.7	Confident	93.2	Very high	41 Å²	41	30.3 Å²	30.3	42%	0.423	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	31.3	-177.5	0	0	0	0	0	115	D116 D117	D116-G120 CarbonylContact O-C 3.43Å; D116-G120 PolarHBondContact O-N 3.14Å; D117-G120 PolarHBondContact O-N 3.41Å
121	G	90.3	Very high	93.3	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	16%	0.163	C	C	.	.	S	Bend	trans	142.1	-20.6	173.1	0	0	0	0	0	113.9	Y107 D116	Y107-G121 VanDerWaalsContact CD2-C 3.46Å; Y107-G121 WeakPolarHBondContact CD2-O 3.13Å; Y107-G121 WeakPolarHBondContact CE2-O 3.33Å; D116-G121 PolarHBondContact O-N 3.25Å
122	G	94.1	Very high	93.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	135.6	-150.5	-175.6	0	0	0	0	0	111.1	I108 D116 L119 P124	I108-G122 CarbonylContact O-C 3.13Å; I108-G122 WeakPolarHBondContact O-CA 3.37Å; D116-G122 VanDerWaalsContact OD1-CA 3.31Å; D116-G122 WeakPolarHBondContact OD1-CA 3.16Å; L119-G122 WeakPolarHBondContact CB-O 3.48Å; L119-G122 WeakPolarHBondContact CD1-O 3.39Å; G122-P124 VanDerWaalsContact O-CD 3.25Å; G122-P124 WeakPolarHBondContact O-CD 3.17Å
123	F	95.9	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.9	179.5	-63.8	-77.9	0	0	0	111.5	Y107 I108 F115 L119 T129 L131 F142 A146 A282 I284	Y107-F123 CarbonylContact C-O 3.57Å; Y107-F123 WeakPolarHBondContact CA-O 3.07Å; I108-F123 HydrophobicContact CB-CB 4.31Å; I108-F123 PolarHBondContact N-O 3.46Å; I108-F123 PolarHBondContact O-N 3.26Å; F115-F123 HydrophobicContact CE1-CD1 4.39Å; F115-F123 HydrophobicContact CE1-CD2 4.35Å; F115-F123 AromaticContact CE1-CE1 3.88Å; F115-F123 HydrophobicContact CE1-CE1 3.88Å; F115-F123 AromaticContact CE1-CE2 3.82Å; F115-F123 HydrophobicContact CE1-CE2 3.82Å; F115-F123 AromaticContact CE1-CZ 3.56Å; F115-F123 HydrophobicContact CE1-CZ 3.56Å; F115-F123 HydrophobicContact CZ-CD1 4.38Å; F115-F123 AromaticContact CZ-CE1 3.55Å; F115-F123 HydrophobicContact CZ-CE1 3.55Å; F115-F123 HydrophobicContact CZ-CE2 4.16Å; F115-F123 AromaticContact CZ-CZ 3.42Å; F115-F123 HydrophobicContact CZ-CZ 3.42Å; F115-F123 VanDerWaalsContact CZ-CZ 3.42Å; L119-F123 HydrophobicContact CD1-CD1 4.44Å; F123-T129 HydrophobicContact CD1-CG2 3.95Å; F123-T129 HydrophobicContact CE1-CG2 4.1Å; F123-L131 HydrophobicContact CE1-CD1 4.23Å; F123-L131 HydrophobicContact CE1-CD2 4.14Å; F123-L131 HydrophobicContact CE1-CG 4.43Å; F123-L131 HydrophobicContact CZ-CD1 4.24Å; F123-F142 HydrophobicContact CZ-CB 4.5Å; F123-F142 HydrophobicContact CZ-CD1 4.18Å; F123-A146 HydrophobicContact CD2-CB 4.25Å; F123-A146 HydrophobicContact CE2-CB 4.13Å; F123-A282 HydrophobicContact CB-CB 4.36Å; F123-I284 HydrophobicContact CB-CD1 4.46Å; F123-I284 HydrophobicContact CD1-CD1 3.61Å; F123-I284 HydrophobicContact CD1-CG1 3.75Å; F123-I284 HydrophobicContact CD2-CD1 3.89Å; F123-I284 HydrophobicContact CE1-CD1 3.66Å; F123-I284 HydrophobicContact CE1-CG1 4Å; F123-I284 HydrophobicContact CE1-CG2 4.42Å; F123-I284 HydrophobicContact CE2-CD1 3.93Å; F123-I284 HydrophobicContact CG-CD1 3.72Å; F123-I284 HydrophobicContact CG-CG1 4.18Å; F123-I284 HydrophobicContact CZ-CD1 3.82Å
124	P	93.3	Very high	93.2	Very high	21 Å²	21	23.8 Å²	23.8	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.5	-175.3	27.9	-31.9	0	0	0	112.7	N106 G122 R127 L339	N106-P124 CarbonylContact O-C 3.57Å; N106-P124 VanDerWaalsContact O-CA 3.3Å; N106-P124 WeakPolarHBondContact O-CA 2.99Å; G122-P124 VanDerWaalsContact O-CD 3.25Å; G122-P124 WeakPolarHBondContact O-CD 3.17Å; P124-R127 HydrophobicContact CG-CB 4.15Å; P124-L339 HydrophobicContact CG-CD1 3.24Å
125	T	92.4	Very high	93	Very high	22 Å²	22	28 Å²	28	14%	0.135	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	150	172.3	58.4	0	0	0	0	111.6	N106 R127 L159 K280	N106-T125 VanDerWaalsContact CA-OG1 3.28Å; N106-T125 WeakPolarHBondContact CA-OG1 3.5Å; N106-T125 WeakPolarHBondContact CB-OG1 3.31Å; N106-T125 PolarHBondContact O-N 3.22Å; N106-T125 PolarHBondContact O-OG1 2.95Å; N106-T125 VanDerWaalsContact O-OG1 3.06Å; T125-R127 PolarHBondContact O-N 2.74Å; T125-L159 HydrophobicContact CG2-CD1 3.67Å; T125-K280 VanDerWaalsContact CB-O 3.25Å; T125-K280 WeakPolarHBondContact CB-O 3.07Å; T125-K280 WeakPolarHBondContact CG2-O 3.46Å
126	G	89.6	Confident	92.8	Very high	25 Å²	25	30.7 Å²	30.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	10.1	-178.1	0	0	0	0	0	113.8	A276 A281	G126-A276 WeakPolarHBondContact CA-O 3.29Å; G126-A281 PolarHBondContact N-O 3.08Å
127	R	90.8	Very high	92.8	Very high	106 Å²	106	29.8 Å²	29.8	40%	0.4	19%	0.19	S	C	.	.	S	Bend	trans	-136.6	158.2	-177.9	-65	-168.5	176	-179.5	0.1	111.3	P124 T125 V283 L339	P124-R127 HydrophobicContact CG-CB 4.15Å; T125-R127 PolarHBondContact O-N 2.74Å; R127-V283 PolarHBondContact O-N 2.96Å; R127-L339 HydrophobicContact CB-CD1 4.01Å
128	L	93.4	Very high	92.8	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	171.2	-66.2	88.7	0	0	0	109.5	T269 L272 L273 V283 L285	L128-T269 HydrophobicContact CD2-CG2 3.59Å; L128-L272 HydrophobicContact CD2-CB 4.19Å; L128-L273 HydrophobicContact CD1-CB 3.59Å; L128-L273 HydrophobicContact CD1-CD1 3.4Å; L128-L273 HydrophobicContact CD1-CG 4Å; L128-V283 CarbonylContact C-O 3.54Å; L128-V283 WeakPolarHBondContact CA-O 3.33Å; L128-V283 HydrophobicContact CD2-CG1 4Å; L128-V283 HydrophobicContact CG-CB 3.95Å; L128-V283 HydrophobicContact CG-CG1 3.97Å; L128-L285 HydrophobicContact CD2-CD1 3.73Å; L128-L285 HydrophobicContact CD2-CG 4.3Å
129	T	95.5	Very high	92.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.8	173.4	-55.4	0	0	0	0	109.3	F123 L131 V283 I284 L285 L339 V341	F123-T129 HydrophobicContact CD1-CG2 3.95Å; F123-T129 HydrophobicContact CE1-CG2 4.1Å; T129-L131 HydrophobicContact CG2-CD2 4.47Å; T129-V283 PolarHBondContact N-O 3.32Å; T129-I284 WeakPolarHBondContact O-CA 3.46Å; T129-L285 PolarHBondContact O-N 3.47Å; T129-L339 HydrophobicContact CG2-CB 4.32Å; T129-V341 HydrophobicContact CG2-CG2 4.44Å
130	E	96	Very high	93.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.1	173.8	-176.3	-172.2	-159.4	0	0	110.5	L285 N287 W333 C337 L339 R340 V341	E130-L285 CarbonylContact C-O 3.57Å; E130-L285 VanDerWaalsContact CA-O 3.32Å; E130-L285 WeakPolarHBondContact CA-O 3.39Å; E130-N287 HydrophobicContact CG-CB 4.13Å; E130-N287 VanDerWaalsContact OE1-CB 3.23Å; E130-N287 WeakPolarHBondContact OE1-CB 3.44Å; E130-N287 PolarHBondContact OE1-ND2 3.14Å; E130-W333 VanDerWaalsContact CD-NE1 3.34Å; E130-W333 VanDerWaalsContact OE1-CD1 3.32Å; E130-W333 PolarHBondContact OE1-NE1 2.75Å; E130-C337 HydrophobicContact CB-CB 4.17Å; E130-L339 PolarHBondContact N-O 2.86Å; E130-R340 HydrophobicContact CB-CG 4.32Å; E130-R340 IonicContact OE1-NH2 3.91Å; E130-R340 WeakPolarHBondContact OE2-CG 3.08Å; E130-R340 IonicContact OE2-CZ 3.33Å; E130-R340 IonicContact OE2-NE 3.98Å; E130-R340 PolarHBondContact OE2-NE 3.34Å; E130-R340 IonicContact OE2-NH2 2.69Å; E130-R340 PolarHBondContact OE2-NH2 3.25Å; E130-V341 PolarHBondContact O-N 3.47Å
131	L	96	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.9	167.8	-60.6	-176.6	0	0	0	109.5	F115 F123 T129 F142 I284 L285 T286 N287 V341	F115-L131 HydrophobicContact CE2-CD2 4.22Å; F115-L131 HydrophobicContact CZ-CD2 4.19Å; F123-L131 HydrophobicContact CE1-CD1 4.23Å; F123-L131 HydrophobicContact CE1-CD2 4.14Å; F123-L131 HydrophobicContact CE1-CG 4.43Å; F123-L131 HydrophobicContact CZ-CD1 4.24Å; T129-L131 HydrophobicContact CG2-CD2 4.47Å; L131-F142 HydrophobicContact CD1-CB 3.69Å; L131-F142 HydrophobicContact CD1-CG 4.31Å; L131-I284 HydrophobicContact CD1-CG2 3.77Å; L131-I284 HydrophobicContact CG-CG2 4Å; L131-L285 PolarHBondContact N-O 3.32Å; L131-T286 CarbonylContact O-C 3.57Å; L131-T286 VanDerWaalsContact O-CA 3.31Å; L131-T286 WeakPolarHBondContact O-CA 3.48Å; L131-N287 PolarHBondContact O-N 3.13Å; L131-V341 HydrophobicContact CD2-CB 3.87Å; L131-V341 HydrophobicContact CD2-CG1 4.2Å; L131-V341 HydrophobicContact CD2-CG2 4.41Å
132	C	94.2	Very high	93.9	Very high	1 Å²	1	25 Å²	25	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.7	179	-173.6	0	0	0	0	110.9	N287 V341 F342 L343	C132-N287 HydrophobicContact CB-CB 4.3Å; C132-V341 PolarHBondContact N-O 3.27Å; C132-F342 HydrophobicContact CB-CD2 4.43Å; C132-F342 CarbonylContact O-C 3.51Å; C132-F342 WeakPolarHBondContact O-CA 3.43Å; C132-L343 PolarHBondContact O-N 3.26Å
133	G	92.9	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	174.8	174.1	0	0	0	0	0	113.4	K139 L343	G133-K139 PolarHBondContact O-NZ 3.17Å; G133-L343 WeakPolarHBondContact CA-O 3.4Å
134	E	90.7	Very high	94.2	Very high	78 Å²	78	25 Å²	25	36%	0.364	15%	0.152	S	C	.	.			trans	-58.7	156.8	177.9	-73.2	178.2	173	0	0	112.9	V137 K139 I289 L325	E134-V137 HydrophobicContact CB-CG1 3.75Å; E134-V137 WeakPolarHBondContact O-CG1 3.45Å; E134-V137 WeakPolarHBondContact O-CG2 3.46Å; E134-V137 PolarHBondContact O-N 2.92Å; E134-K139 PolarHBondContact O-NZ 2.82Å; E134-I289 HydrophobicContact CB-CD1 4.29Å; E134-I289 HydrophobicContact CG-CD1 3.27Å; E134-I289 HydrophobicContact CG-CG1 4.16Å; E134-L325 VanDerWaalsContact OE1-CD1 3.27Å; E134-L325 WeakPolarHBondContact OE1-CD1 3.41Å
135	P	90.7	Very high	94.4	Very high	116 Å²	116	24.2 Å²	24.2	75%	0.753	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	141.3	165.9	-23.6	34.7	0	0	0	111.6	V137	P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 2.81Å
136	G	90.7	Very high	94.6	Very high	58 Å²	58	23.1 Å²	23.1	60%	0.598	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-1.6	177.5	0	0	0	0	0	116.7	G138 R351	G136-G138 PolarHBondContact O-N 2.84Å; G136-R351 PolarHBondContact O-NH2 2.73Å
137	V	94.1	Very high	95.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-73.2	-12.8	172.8	-55.5	0	0	0	0	113	E134 P135 K139 L343 R345 R351 Y368	E134-V137 HydrophobicContact CB-CG1 3.75Å; E134-V137 WeakPolarHBondContact O-CG1 3.45Å; E134-V137 WeakPolarHBondContact O-CG2 3.46Å; E134-V137 PolarHBondContact O-N 2.92Å; P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 2.81Å; V137-K139 HydrophobicContact CG2-CG 3.91Å; V137-L343 HydrophobicContact CB-CB 4.11Å; V137-L343 HydrophobicContact CG2-CB 3.57Å; V137-L343 HydrophobicContact CG2-CD1 4.34Å; V137-R345 HydrophobicContact CG1-CB 4.32Å; V137-R351 WeakPolarHBondContact O-CD 3.27Å; V137-R351 PolarHBondContact O-NE 3.44Å; V137-Y368 PolarHBondContact O-OH 2.93Å
138	G	94	Very high	95.4	Very high	9 Å²	9	16.9 Å²	16.9	9%	0.093	11%	0.109	C	C	.	.	S	Bend	trans	98.7	23.4	175	0	0	0	0	0	115.9	G136 T140 Q141 F142	G136-G138 PolarHBondContact O-N 2.84Å; G138-T140 PolarHBondContact O-N 2.8Å; G138-Q141 WeakPolarHBondContact O-CA 3.29Å; G138-Q141 WeakPolarHBondContact O-CB 3.23Å; G138-Q141 PolarHBondContact O-N 2.88Å; G138-F142 PolarHBondContact O-N 2.85Å
139	K	95.9	Very high	95.5	Very high	16 Å²	16	16.7 Å²	16.7	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-49.4	-55.6	171.5	-62.9	-176.4	-64	-78.8	0	111.9	G133 E134 V137 Q141 F142 C143 T286 N287 L343	G133-K139 PolarHBondContact O-NZ 3.17Å; E134-K139 PolarHBondContact O-NZ 2.82Å; V137-K139 HydrophobicContact CG2-CG 3.91Å; K139-Q141 PolarHBondContact O-N 3.24Å; K139-F142 WeakPolarHBondContact O-CB 3.39Å; K139-F142 PolarHBondContact O-N 2.97Å; K139-F142 VanDerWaalsContact O-N 3.14Å; K139-C143 PolarHBondContact O-N 3.32Å; K139-C143 VanDerWaalsContact O-N 3.14Å; K139-C143 PolarHBondContact O-SG 2.83Å; K139-T286 HydrophobicContact CB-CG2 4.13Å; K139-N287 WeakPolarHBondContact CD-O 3.23Å; K139-L343 HydrophobicContact CG-CD1 4.04Å
140	T	96.6	Very high	95.6	Very high	22 Å²	22	16.7 Å²	16.7	14%	0.135	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-35	175.4	-50.7	0	0	0	0	112.2	G138 F142 C143 L144 N171 D245	G138-T140 PolarHBondContact O-N 2.8Å; T140-F142 PolarHBondContact O-N 2.87Å; T140-C143 WeakPolarHBondContact O-CB 3.15Å; T140-C143 PolarHBondContact O-N 3.27Å; T140-C143 VanDerWaalsContact O-N 3.17Å; T140-L144 HydrophobicContact CG2-CD1 4.22Å; T140-L144 HydrophobicContact CG2-CG 4.18Å; T140-L144 VanDerWaalsContact O-CG 3.29Å; T140-L144 WeakPolarHBondContact O-CG 3.35Å; T140-L144 PolarHBondContact O-N 3.25Å; T140-N171 HydrophobicContact CG2-CB 4.5Å; T140-D245 WeakPolarHBondContact CA-OD2 3.41Å; T140-D245 VanDerWaalsContact CB-OD2 3.23Å; T140-D245 WeakPolarHBondContact CB-OD2 3.43Å; T140-D245 VanDerWaalsContact CG2-OD2 3.25Å; T140-D245 WeakPolarHBondContact CG2-OD2 3.31Å; T140-D245 PolarHBondContact OG1-OD2 2.93Å
141	Q	97	Very high	95.6	Very high	40 Å²	40	17.3 Å²	17.3	19%	0.187	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-38.5	178.7	-61.8	-69.1	-49.3	0	0	112.2	G138 K139 Q145 R176 M180 I370 I375	G138-Q141 WeakPolarHBondContact O-CA 3.29Å; G138-Q141 WeakPolarHBondContact O-CB 3.23Å; G138-Q141 PolarHBondContact O-N 2.88Å; K139-Q141 PolarHBondContact O-N 3.24Å; Q141-Q145 VanDerWaalsContact O-CB 3.3Å; Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.37Å; Q141-R176 VanDerWaalsContact OE1-CZ 3.31Å; Q141-M180 HydrophobicContact CB-CE 4.49Å; Q141-I370 HydrophobicContact CB-CD1 4.3Å; Q141-I370 HydrophobicContact CB-CG2 4.44Å; Q141-I370 HydrophobicContact CG-CD1 4.08Å; Q141-I370 HydrophobicContact CG-CG2 4.1Å; Q141-I375 HydrophobicContact CB-CD1 3.72Å; Q141-I375 HydrophobicContact CB-CG1 4.44Å
142	F	97.5	Very high	95.5	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-44.3	169.8	-86.8	-81.3	0	0	0	111.8	F115 F123 L131 G138 K139 T140 Q145 A146 L343 Y368 I375	F115-F142 HydrophobicContact CB-CE1 4.38Å; F115-F142 HydrophobicContact CD1-CE1 4.26Å; F115-F142 HydrophobicContact CD2-CD1 4.36Å; F115-F142 AromaticContact CD2-CE1 3.46Å; F115-F142 HydrophobicContact CD2-CE1 3.46Å; F115-F142 VanDerWaalsContact CD2-CE1 3.46Å; F115-F142 AromaticContact CD2-CZ 3.69Å; F115-F142 HydrophobicContact CD2-CZ 3.69Å; F115-F142 HydrophobicContact CE1-CE1 4.41Å; F115-F142 HydrophobicContact CE2-CD1 4.16Å; F115-F142 AromaticContact CE2-CE1 3.68Å; F115-F142 HydrophobicContact CE2-CE1 3.68Å; F115-F142 HydrophobicContact CE2-CZ 4.04Å; F115-F142 AromaticContact CG-CE1 3.79Å; F115-F142 HydrophobicContact CG-CE1 3.79Å; F115-F142 HydrophobicContact CG-CZ 4.32Å; F115-F142 HydrophobicContact CZ-CD1 4.31Å; F115-F142 HydrophobicContact CZ-CE1 4.16Å; F123-F142 HydrophobicContact CZ-CB 4.5Å; F123-F142 HydrophobicContact CZ-CD1 4.18Å; L131-F142 HydrophobicContact CD1-CB 3.69Å; L131-F142 HydrophobicContact CD1-CG 4.31Å; G138-F142 PolarHBondContact O-N 2.85Å; K139-F142 WeakPolarHBondContact O-CB 3.39Å; K139-F142 PolarHBondContact O-N 2.97Å; K139-F142 VanDerWaalsContact O-N 3.14Å; T140-F142 PolarHBondContact O-N 2.87Å; F142-Q145 PolarHBondContact O-N 3.41Å; F142-A146 WeakPolarHBondContact O-CB 3.19Å; F142-A146 PolarHBondContact O-N 2.96Å; F142-L343 HydrophobicContact CD2-CD1 3.7Å; F142-L343 HydrophobicContact CE2-CD1 3.81Å; F142-L343 HydrophobicContact CE2-CD2 3.98Å; F142-Y368 HydrophobicContact CE2-CD1 4.44Å; F142-Y368 AromaticContact CE2-CD2 3.91Å; F142-Y368 HydrophobicContact CE2-CD2 3.91Å; F142-Y368 HydrophobicContact CE2-CE1 4.17Å; F142-Y368 AromaticContact CE2-CE2 3.59Å; F142-Y368 HydrophobicContact CE2-CE2 3.59Å; F142-Y368 HydrophobicContact CE2-CG 4.33Å; F142-Y368 AromaticContact CE2-CZ 3.75Å; F142-Y368 HydrophobicContact CZ-CD1 4.29Å; F142-Y368 HydrophobicContact CZ-CD2 4.08Å; F142-Y368 HydrophobicContact CZ-CE1 4.42Å; F142-Y368 HydrophobicContact CZ-CE2 4.21Å; F142-Y368 HydrophobicContact CZ-CG 4.12Å; F142-I375 HydrophobicContact CD1-CG1 4.1Å; F142-I375 HydrophobicContact CD1-CG2 4.38Å; F142-I375 HydrophobicContact CD2-CD1 4.09Å; F142-I375 HydrophobicContact CD2-CG1 4.21Å; F142-I375 HydrophobicContact CE1-CB 4.44Å; F142-I375 HydrophobicContact CE1-CG1 4.27Å; F142-I375 HydrophobicContact CE1-CG2 3.74Å; F142-I375 HydrophobicContact CE2-CD1 4.16Å; F142-I375 HydrophobicContact CE2-CG1 4.37Å; F142-I375 HydrophobicContact CE2-CG2 4.29Å; F142-I375 HydrophobicContact CG-CD1 4.44Å; F142-I375 HydrophobicContact CG-CG1 4.07Å; F142-I375 HydrophobicContact CZ-CG1 4.41Å; F142-I375 HydrophobicContact CZ-CG2 3.69Å
143	C	98.1	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-48.3	178.8	-65.9	0	0	0	0	112.4	K139 T140 Q145 A146 C147 F165 V243 T286	K139-C143 PolarHBondContact O-N 3.32Å; K139-C143 VanDerWaalsContact O-N 3.14Å; K139-C143 PolarHBondContact O-SG 2.83Å; T140-C143 WeakPolarHBondContact O-CB 3.15Å; T140-C143 PolarHBondContact O-N 3.27Å; T140-C143 VanDerWaalsContact O-N 3.17Å; C143-Q145 PolarHBondContact O-N 3.39Å; C143-A146 PolarHBondContact O-N 2.97Å; C143-C147 PolarHBondContact O-N 2.99Å; C143-C147 PolarHBondContact O-SG 3.27Å; C143-F165 HydrophobicContact CB-CE2 3.81Å; C143-F165 HydrophobicContact CB-CZ 4.41Å; C143-V243 HydrophobicContact CB-CG1 3.73Å; C143-V243 HydrophobicContact CB-CG2 4.39Å; C143-T286 WeakPolarHBondContact SG-CG2 3.38Å
144	L	98.1	Very high	95.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-42.5	177.3	-62.3	-179.7	0	0	0	111.5	T140 A146 C147 V148 F165 F172 R176 V177 M180	T140-L144 HydrophobicContact CG2-CD1 4.22Å; T140-L144 HydrophobicContact CG2-CG 4.18Å; T140-L144 VanDerWaalsContact O-CG 3.29Å; T140-L144 WeakPolarHBondContact O-CG 3.35Å; T140-L144 PolarHBondContact O-N 3.25Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.48Å; L144-C147 WeakPolarHBondContact O-CB 3.27Å; L144-C147 PolarHBondContact O-N 3.28Å; L144-V148 PolarHBondContact O-N 2.88Å; L144-F165 HydrophobicContact CD2-CD2 4.38Å; L144-F165 HydrophobicContact CD2-CE2 3.8Å; L144-F165 HydrophobicContact CD2-CZ 4.31Å; L144-F172 HydrophobicContact CD2-CD2 3.42Å; L144-F172 VanDerWaalsContact CD2-CD2 3.42Å; L144-F172 HydrophobicContact CD2-CE2 3.53Å; L144-F172 HydrophobicContact CD2-CG 4.38Å; L144-R176 HydrophobicContact CD1-CB 4.27Å; L144-R176 HydrophobicContact CD1-CG 3.86Å; L144-V177 HydrophobicContact CB-CG2 4.32Å; L144-V177 HydrophobicContact CD1-CG2 4.32Å; L144-V177 HydrophobicContact CD2-CG2 3.74Å; L144-V177 HydrophobicContact CG-CG2 4.32Å; L144-M180 HydrophobicContact CB-CE 4.07Å; L144-M180 HydrophobicContact CB-SD 3.88Å
145	Q	97.8	Very high	94.9	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-42.2	176.2	-178.5	70.7	74.9	0	0	111.3	S110 Q141 F142 C143 C147 V148 N149 M180 G373 I375	S110-Q145 WeakPolarHBondContact O-CG 3.4Å; Q141-Q145 VanDerWaalsContact O-CB 3.3Å; Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.37Å; F142-Q145 PolarHBondContact O-N 3.41Å; C143-Q145 PolarHBondContact O-N 3.39Å; Q145-C147 VanDerWaalsContact C-N 3.33Å; Q145-C147 PolarHBondContact O-N 3.02Å; Q145-V148 PolarHBondContact O-N 2.76Å; Q145-N149 PolarHBondContact NE2-OD1 3.46Å; Q145-N149 WeakPolarHBondContact O-CB 3.34Å; Q145-N149 PolarHBondContact O-N 3.01Å; Q145-N149 PolarHBondContact O-OD1 3.13Å; Q145-M180 HydrophobicContact CB-SD 3.99Å; Q145-M180 PolarHBondContact N-SD 3.31Å; Q145-G373 PolarHBondContact OE1-O 2.9Å; Q145-I375 HydrophobicContact CB-CG1 4.48Å
146	A	98	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-37.6	176.9	0	0	0	0	0	112.2	F123 F142 C143 L144 V148 N149 V150 L241 I284	F123-A146 HydrophobicContact CD2-CB 4.25Å; F123-A146 HydrophobicContact CE2-CB 4.13Å; F142-A146 WeakPolarHBondContact O-CB 3.19Å; F142-A146 PolarHBondContact O-N 2.96Å; C143-A146 PolarHBondContact O-N 2.97Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.48Å; A146-V148 VanDerWaalsContact C-N 3.25Å; A146-V148 PolarHBondContact O-N 3.17Å; A146-N149 PolarHBondContact O-N 2.65Å; A146-V150 PolarHBondContact O-N 3.37Å; A146-L241 HydrophobicContact CB-CD2 3.75Å; A146-L241 WeakPolarHBondContact O-CD2 3.44Å; A146-I284 HydrophobicContact CB-CD1 3.65Å
147	C	98.2	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-32.7	175.1	-67.1	0	0	0	0	113.5	C143 L144 Q145 V150 Q151 A163 I211 L241	C143-C147 PolarHBondContact O-N 2.99Å; C143-C147 PolarHBondContact O-SG 3.27Å; L144-C147 WeakPolarHBondContact O-CB 3.27Å; L144-C147 PolarHBondContact O-N 3.28Å; Q145-C147 VanDerWaalsContact C-N 3.33Å; Q145-C147 PolarHBondContact O-N 3.02Å; C147-V150 WeakPolarHBondContact O-CG1 3.17Å; C147-Q151 PolarHBondContact O-NE2 3.39Å; C147-A163 HydrophobicContact CB-CB 3.82Å; C147-I211 HydrophobicContact CB-CD1 3.87Å; C147-I211 HydrophobicContact CB-CG1 4.11Å; C147-I211 HydrophobicContact CB-CG2 4.41Å; C147-L241 HydrophobicContact CB-CD2 4.49Å
148	V	97.7	Very high	94.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-78.3	-44.9	173.5	177.4	0	0	0	0	110.3	L144 Q145 A146 V150 Q151 V177 M180 A181 L184 L207	L144-V148 PolarHBondContact O-N 2.88Å; Q145-V148 PolarHBondContact O-N 2.76Å; A146-V148 VanDerWaalsContact C-N 3.25Å; A146-V148 PolarHBondContact O-N 3.17Å; V148-V150 PolarHBondContact O-N 3.05Å; V148-Q151 WeakPolarHBondContact O-CB 3.35Å; V148-Q151 PolarHBondContact O-N 3.28Å; V148-V177 HydrophobicContact CG2-CG1 3.72Å; V148-M180 HydrophobicContact CG2-CB 4.18Å; V148-A181 HydrophobicContact CG1-CB 4.33Å; V148-A181 HydrophobicContact CG2-CB 4.46Å; V148-L184 HydrophobicContact CG1-CB 4.05Å; V148-L184 HydrophobicContact CG1-CD2 3.55Å; V148-L184 HydrophobicContact CG1-CG 4.44Å; V148-L207 HydrophobicContact CG1-CD1 4.32Å
149	N	96.8	Very high	94.1	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-70.1	-28.4	-173.9	-67.5	-3.1	0	0	0	114.3	I108 V109 M111 Q145 A146 Q151 I152	I108-N149 HydrophobicContact CG2-CB 3.86Å; V109-N149 HydrophobicContact CG2-CB 4.41Å; V109-N149 WeakPolarHBondContact O-CB 3.25Å; V109-N149 PolarHBondContact O-ND2 3.09Å; M111-N149 VanDerWaalsContact CG-ND2 3.3Å; M111-N149 WeakPolarHBondContact CG-ND2 3.44Å; Q145-N149 PolarHBondContact NE2-OD1 3.46Å; Q145-N149 WeakPolarHBondContact O-CB 3.34Å; Q145-N149 PolarHBondContact O-N 3.01Å; Q145-N149 PolarHBondContact O-OD1 3.13Å; A146-N149 PolarHBondContact O-N 2.65Å; N149-Q151 PolarHBondContact O-N 2.91Å; N149-I152 HydrophobicContact CB-CD1 3.97Å; N149-I152 VanDerWaalsContact O-CB 3.31Å; N149-I152 WeakPolarHBondContact O-CB 3.21Å; N149-I152 WeakPolarHBondContact O-CD1 3.26Å; N149-I152 WeakPolarHBondContact O-CG1 3.37Å; N149-I152 PolarHBondContact O-N 3.48Å; N149-I152 VanDerWaalsContact O-N 3.09Å
150	V	97.1	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.4	176.6	68.9	0	0	0	0	112.4	I108 A146 C147 V148 I152 L159 N160 G161 A163 R240 L241	I108-V150 HydrophobicContact CD1-CB 3.87Å; I108-V150 HydrophobicContact CD1-CG2 3.7Å; I108-V150 HydrophobicContact CG1-CB 4.22Å; I108-V150 HydrophobicContact CG1-CG2 4.08Å; I108-V150 HydrophobicContact CG2-CB 4.31Å; A146-V150 PolarHBondContact O-N 3.37Å; C147-V150 WeakPolarHBondContact O-CG1 3.17Å; V148-V150 PolarHBondContact O-N 3.05Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 3.32Å; V150-L159 HydrophobicContact CG2-CB 4.43Å; V150-L159 HydrophobicContact CG2-CD1 4.29Å; V150-N160 PolarHBondContact O-N 3.32Å; V150-G161 CarbonylContact C-O 3.37Å; V150-G161 PolarHBondContact O-N 3Å; V150-A163 HydrophobicContact CG1-CB 3.96Å; V150-R240 HydrophobicContact CG2-CB 3.65Å; V150-L241 HydrophobicContact CB-CB 4.06Å; V150-L241 HydrophobicContact CB-CD2 4.38Å; V150-L241 HydrophobicContact CG1-CB 4.06Å; V150-L241 HydrophobicContact CG1-CD2 4.22Å; V150-L241 HydrophobicContact CG2-CB 3.88Å
151	Q	96.5	Very high	93.9	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.2	-179.9	-63.7	177.7	77.5	0	0	113.2	C147 V148 N149 G161 S206 L207	C147-Q151 PolarHBondContact O-NE2 3.39Å; V148-Q151 WeakPolarHBondContact O-CB 3.35Å; V148-Q151 PolarHBondContact O-N 3.28Å; N149-Q151 PolarHBondContact O-N 2.91Å; Q151-G161 VanDerWaalsContact CA-O 3.26Å; Q151-G161 WeakPolarHBondContact CA-O 3.33Å; Q151-G161 WeakPolarHBondContact CG-O 3.44Å; Q151-G161 PolarHBondContact N-O 3.27Å; Q151-S206 PolarHBondContact OE1-O 3.39Å; Q151-L207 HydrophobicContact CB-CD2 3.58Å; Q151-L207 HydrophobicContact CG-CD2 4.4Å; Q151-L207 PolarHBondContact NE2-O 2.93Å; Q151-L207 VanDerWaalsContact OE1-CA 3.29Å; Q151-L207 PolarHBondContact OE1-O 3.11Å
152	I	93.9	Very high	94	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	-58.4	131.3	176	-67.9	168.4	0	0	0	109.1	V109 M111 N149 V150 F156 G158 L159 N160 L184	V109-I152 HydrophobicContact CG2-CD1 4.06Å; M111-I152 HydrophobicContact CE-CD1 3.52Å; N149-I152 HydrophobicContact CB-CD1 3.97Å; N149-I152 VanDerWaalsContact O-CB 3.31Å; N149-I152 WeakPolarHBondContact O-CB 3.21Å; N149-I152 WeakPolarHBondContact O-CD1 3.26Å; N149-I152 WeakPolarHBondContact O-CG1 3.37Å; N149-I152 PolarHBondContact O-N 3.48Å; N149-I152 VanDerWaalsContact O-N 3.09Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 3.32Å; I152-F156 HydrophobicContact CG2-CB 3.91Å; I152-F156 HydrophobicContact CG2-CD1 3.81Å; I152-F156 HydrophobicContact CG2-CG 4.35Å; I152-F156 WeakPolarHBondContact CG2-O 3.43Å; I152-G158 CarbonylContact O-C 3.41Å; I152-G158 VanDerWaalsContact O-C 3.24Å; I152-G158 WeakPolarHBondContact O-CA 3.49Å; I152-L159 PolarHBondContact O-N 2.9Å; I152-L159 VanDerWaalsContact O-N 3.13Å; I152-N160 WeakPolarHBondContact O-CA 3.47Å; I152-N160 PolarHBondContact O-N 3.08Å; I152-L184 HydrophobicContact CD1-CD1 4Å; I152-L184 HydrophobicContact CD1-CD2 4.33Å; I152-L184 HydrophobicContact CG1-CD1 4.03Å; I152-L184 HydrophobicContact CG1-CD2 3.73Å
153	P	91.3	Very high	94	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.052	13%	0.13	C	C	.	.			trans	-60.3	152.5	179.2	-26.8	35.3	0	0	0	113.6	W155 F156 G158 Y188 Y200	P153-W155 VanDerWaalsContact C-N 3.31Å; P153-W155 VanDerWaalsContact CB-CD1 3.43Å; P153-W155 HydrophobicContact CB-CD2 4.38Å; P153-W155 HydrophobicContact CB-CG 4.17Å; P153-W155 HydrophobicContact CB-CZ2 4.43Å; P153-W155 HydrophobicContact CG-CZ2 4.29Å; P153-W155 PolarHBondContact O-N 2.92Å; P153-F156 CarbonylContact O-C 3.47Å; P153-F156 WeakPolarHBondContact O-CA 3.3Å; P153-F156 PolarHBondContact O-N 2.83Å; P153-G158 PolarHBondContact O-N 3.03Å; P153-Y188 WeakPolarHBondContact CD-OH 3.12Å; P153-Y200 VanDerWaalsContact CG-O 3.29Å; P153-Y200 WeakPolarHBondContact CG-O 3.25Å
154	K	88.5	Confident	94	Very high	137 Å²	137	26.4 Å²	26.4	60%	0.596	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-59.9	-37	179.5	-67.6	-175.5	177.5	-176.5	0	113.7	F156 S157 G158 N160	K154-F156 PolarHBondContact O-N 3.04Å; K154-S157 PolarHBondContact O-N 2.99Å; K154-G158 WeakPolarHBondContact CA-O 3.39Å; K154-N160 HydrophobicContact CG-CB 4.23Å
155	W	85.1	Confident	94.1	Very high	90 Å²	90	26.3 Å²	26.3	34%	0.341	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.2	-21.5	176.6	65.3	-100.9	0	0	0	112.4	P153 Y188 F196 Y200 C201	P153-W155 VanDerWaalsContact C-N 3.31Å; P153-W155 VanDerWaalsContact CB-CD1 3.43Å; P153-W155 HydrophobicContact CB-CD2 4.38Å; P153-W155 HydrophobicContact CB-CG 4.17Å; P153-W155 HydrophobicContact CB-CZ2 4.43Å; P153-W155 HydrophobicContact CG-CZ2 4.29Å; P153-W155 PolarHBondContact O-N 2.92Å; W155-Y188 AromaticContact CH2-CD1 3.73Å; W155-Y188 HydrophobicContact CH2-CD1 3.73Å; W155-Y188 HydrophobicContact CH2-CE1 4.1Å; W155-Y188 HydrophobicContact CZ2-CD1 4.22Å; W155-Y188 HydrophobicContact CZ2-CE1 4.23Å; W155-F196 HydrophobicContact CD2-CE1 4.14Å; W155-F196 HydrophobicContact CD2-CZ 4.15Å; W155-F196 AromaticContact CE2-CE1 3.92Å; W155-F196 HydrophobicContact CE3-CE1 4.27Å; W155-F196 HydrophobicContact CE3-CZ 4.47Å; W155-F196 HydrophobicContact CG-CZ 4.43Å; W155-F196 HydrophobicContact CH2-CE1 4.08Å; W155-F196 AromaticContact CZ2-CE1 3.92Å; W155-F196 HydrophobicContact CZ2-CE1 3.92Å; W155-F196 HydrophobicContact CZ3-CE1 4.24Å; W155-Y200 PolarHBondContact NE1-O 3.13Å; W155-C201 VanDerWaalsContact CZ2-SG 3.56Å
156	F	85.9	Confident	94.1	Very high	61 Å²	61	26.1 Å²	26.1	27%	0.268	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-104.9	31	174.8	-154.3	-118.4	0	0	0	111.9	I152 P153 K154 G158 Y188	I152-F156 HydrophobicContact CG2-CB 3.91Å; I152-F156 HydrophobicContact CG2-CD1 3.81Å; I152-F156 HydrophobicContact CG2-CG 4.35Å; I152-F156 WeakPolarHBondContact CG2-O 3.43Å; P153-F156 CarbonylContact O-C 3.47Å; P153-F156 WeakPolarHBondContact O-CA 3.3Å; P153-F156 PolarHBondContact O-N 2.83Å; K154-F156 PolarHBondContact O-N 3.04Å; F156-G158 VanDerWaalsContact C-N 3.26Å; F156-G158 PolarHBondContact O-N 3.32Å; F156-Y188 HydrophobicContact CB-CE1 4.18Å; F156-Y188 AromaticContact CD1-CD1 3.88Å; F156-Y188 HydrophobicContact CD1-CD1 3.88Å; F156-Y188 AromaticContact CD1-CE1 3.46Å; F156-Y188 HydrophobicContact CD1-CE1 3.46Å; F156-Y188 VanDerWaalsContact CD1-CE1 3.46Å; F156-Y188 HydrophobicContact CD2-CD1 4.47Å; F156-Y188 AromaticContact CE1-CD1 3.97Å; F156-Y188 HydrophobicContact CE1-CD1 3.97Å; F156-Y188 AromaticContact CE1-CE1 3.92Å; F156-Y188 HydrophobicContact CE1-CE1 3.92Å; F156-Y188 HydrophobicContact CG-CD1 4.13Å; F156-Y188 AromaticContact CG-CE1 3.85Å; F156-Y188 HydrophobicContact CG-CE1 3.85Å; F156-Y188 HydrophobicContact CZ-CD1 4.31Å
157	S	84.4	Confident	94.1	Very high	56 Å²	56	26.2 Å²	26.2	39%	0.392	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	24.8	177.1	-59.9	0	0	0	0	115.8	Y105 K154	Y105-S157 VanDerWaalsContact CE1-CA 3.5Å; Y105-S157 WeakPolarHBondContact CE1-OG 3.49Å; Y105-S157 PolarHBondContact OH-OG 3.44Å; K154-S157 PolarHBondContact O-N 2.99Å
158	G	90.3	Very high	93.9	Very high	7 Å²	7	26.4 Å²	26.4	7%	0.072	13%	0.13	C	C	.	.	S	Bend	trans	-104.6	-171.3	173.5	0	0	0	0	0	114.1	I152 P153 K154 F156	I152-G158 CarbonylContact O-C 3.41Å; I152-G158 VanDerWaalsContact O-C 3.24Å; I152-G158 WeakPolarHBondContact O-CA 3.49Å; P153-G158 PolarHBondContact O-N 3.03Å; K154-G158 WeakPolarHBondContact CA-O 3.39Å; F156-G158 VanDerWaalsContact C-N 3.26Å; F156-G158 PolarHBondContact O-N 3.32Å
159	L	92	Very high	93.6	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.126	14%	0.14	C	C	.	.			trans	-99.5	-11.9	-176.9	-58.4	-173.5	0	0	0	113.9	Y105 I108 T125 V150 I152 G161 R240	Y105-L159 WeakPolarHBondContact O-CD2 3.44Å; I108-L159 HydrophobicContact CD1-CD1 4.31Å; I108-L159 HydrophobicContact CG1-CD1 3.61Å; I108-L159 HydrophobicContact CG1-CG 4.42Å; T125-L159 HydrophobicContact CG2-CD1 3.67Å; V150-L159 HydrophobicContact CG2-CB 4.43Å; V150-L159 HydrophobicContact CG2-CD1 4.29Å; I152-L159 PolarHBondContact O-N 2.9Å; I152-L159 VanDerWaalsContact O-N 3.13Å; L159-G161 PolarHBondContact O-N 2.85Å; L159-R240 HydrophobicContact CB-CB 4.36Å; L159-R240 HydrophobicContact CB-CG 4.4Å; L159-R240 HydrophobicContact CD1-CB 3.98Å
160	N	93.3	Very high	93.4	Very high	97 Å²	97	30 Å²	30	52%	0.519	16%	0.157	S	C	.	.			trans	46.6	40.3	-168.7	-164.4	36.6	0	0	0	111.9	V150 I152 K154	V150-N160 PolarHBondContact O-N 3.32Å; I152-N160 WeakPolarHBondContact O-CA 3.47Å; I152-N160 PolarHBondContact O-N 3.08Å; K154-N160 HydrophobicContact CG-CB 4.23Å
161	G	95.4	Very high	93.2	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	18%	0.177	C	C	.	.			trans	-112.3	166.1	-174	0	0	0	0	0	112.2	V150 Q151 L159 L238	V150-G161 CarbonylContact C-O 3.37Å; V150-G161 PolarHBondContact O-N 3Å; Q151-G161 VanDerWaalsContact CA-O 3.26Å; Q151-G161 WeakPolarHBondContact CA-O 3.33Å; Q151-G161 WeakPolarHBondContact CG-O 3.44Å; Q151-G161 PolarHBondContact N-O 3.27Å; L159-G161 PolarHBondContact O-N 2.85Å; G161-L238 CarbonylContact C-O 3.58Å; G161-L238 WeakPolarHBondContact CA-O 3.36Å
162	Q	97.8	Very high	93.2	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	162.8	176.7	-69.2	-177.3	-13.2	0	0	111.5	G210 H212 L238 I239 R240 L241	Q162-G210 WeakPolarHBondContact CA-O 3.48Å; Q162-G210 VanDerWaalsContact CB-O 3.3Å; Q162-G210 WeakPolarHBondContact CB-O 3.36Å; Q162-H212 PolarHBondContact OE1-NE2 3.31Å; Q162-L238 HydrophobicContact CB-CB 4.37Å; Q162-L238 HydrophobicContact CG-CB 3.98Å; Q162-L238 PolarHBondContact N-O 2.83Å; Q162-I239 HydrophobicContact CB-CG1 4.4Å; Q162-I239 WeakPolarHBondContact O-CA 3.45Å; Q162-R240 PolarHBondContact O-N 2.81Å; Q162-L241 PolarHBondContact O-N 3.25Å
163	A	98.4	Very high	93.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.6	177.8	0	0	0	0	0	111.9	C147 V150 G210 I211 H212 L241	C147-A163 HydrophobicContact CB-CB 3.82Å; V150-A163 HydrophobicContact CG1-CB 3.96Å; A163-G210 PolarHBondContact N-O 2.72Å; A163-I211 HydrophobicContact CB-CG1 4.37Å; A163-H212 PolarHBondContact O-CD2 2.97Å; A163-H212 PolarHBondContact O-N 3.2Å; A163-L241 CarbonylContact C-O 3.57Å; A163-L241 WeakPolarHBondContact CA-O 3.31Å; A163-L241 HydrophobicContact CB-CB 4.27Å; A163-L241 HydrophobicContact CB-CD2 4.11Å; A163-L241 HydrophobicContact CB-CG 4.46Å
164	L	98.4	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.2	164.3	173.9	62.5	0	0	0	109.1	L166 H212 I214 L229 F232 I239 L241 I242 V243	L164-L166 HydrophobicContact CD1-CD2 3.95Å; L164-L166 HydrophobicContact CD2-CD2 4.09Å; L164-L166 HydrophobicContact CG-CD2 3.88Å; L164-L166 HydrophobicContact CG-CG 4.41Å; L164-H212 CarbonylContact C-O 3.24Å; L164-H212 WeakPolarHBondContact CA-O 3.41Å; L164-H212 HydrophobicContact CD1-CB 3.82Å; L164-I214 HydrophobicContact CD1-CD1 3.94Å; L164-I214 HydrophobicContact CD1-CG1 4.1Å; L164-L229 HydrophobicContact CD2-CD2 3.36Å; L164-F232 HydrophobicContact CD1-CE1 3.92Å; L164-F232 HydrophobicContact CD1-CZ 4.28Å; L164-F232 HydrophobicContact CD2-CD1 4.03Å; L164-F232 HydrophobicContact CD2-CE1 3.9Å; L164-F232 HydrophobicContact CG-CE1 4.35Å; L164-I239 HydrophobicContact CB-CD1 4.5Å; L164-L241 PolarHBondContact N-O 2.69Å; L164-I242 HydrophobicContact CB-CG1 4.39Å; L164-I242 HydrophobicContact CD2-CG2 4.37Å; L164-I242 CarbonylContact O-C 3.56Å; L164-I242 WeakPolarHBondContact O-CA 3.23Å; L164-V243 PolarHBondContact O-N 2.77Å
165	F	98.4	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113	178.8	-161.4	-72.1	0	0	0	110.4	C143 L144 D167 F172 H212 Y213 I214 V243 D245	C143-F165 HydrophobicContact CB-CE2 3.81Å; C143-F165 HydrophobicContact CB-CZ 4.41Å; L144-F165 HydrophobicContact CD2-CD2 4.38Å; L144-F165 HydrophobicContact CD2-CE2 3.8Å; L144-F165 HydrophobicContact CD2-CZ 4.31Å; F165-D167 HydrophobicContact CD1-CB 3.8Å; F165-D167 HydrophobicContact CE1-CB 3.73Å; F165-F172 HydrophobicContact CB-CD2 4.42Å; F165-F172 HydrophobicContact CB-CE2 4.34Å; F165-F172 AromaticContact CD1-CD2 3.79Å; F165-F172 HydrophobicContact CD1-CD2 3.79Å; F165-F172 HydrophobicContact CD1-CG 4.49Å; F165-F172 AromaticContact CD2-CD2 3.86Å; F165-F172 HydrophobicContact CD2-CD2 3.86Å; F165-F172 HydrophobicContact CD2-CE2 4.02Å; F165-F172 HydrophobicContact CE1-CB 4.24Å; F165-F172 AromaticContact CE1-CD2 3.95Å; F165-F172 HydrophobicContact CE1-CD2 3.95Å; F165-F172 AromaticContact CE2-CD2 4Å; F165-F172 HydrophobicContact CE2-CD2 4Å; F165-F172 HydrophobicContact CE2-CE2 4.46Å; F165-F172 AromaticContact CG-CD2 3.76Å; F165-F172 HydrophobicContact CG-CD2 3.76Å; F165-F172 HydrophobicContact CG-CE2 4.04Å; F165-F172 HydrophobicContact CZ-CD2 4.05Å; F165-H212 PolarHBondContact N-O 3.3Å; F165-Y213 HydrophobicContact CD1-CD2 4.44Å; F165-I214 PolarHBondContact O-N 3.47Å; F165-V243 HydrophobicContact CD2-CB 3.89Å; F165-V243 HydrophobicContact CD2-CG1 3.84Å; F165-V243 HydrophobicContact CD2-CG2 4.28Å; F165-V243 HydrophobicContact CE2-CB 4.24Å; F165-V243 HydrophobicContact CE2-CG1 3.67Å; F165-V243 HydrophobicContact CG-CB 4.32Å; F165-V243 HydrophobicContact CG-CG1 4.4Å; F165-V243 HydrophobicContact CZ-CG1 4.05Å; F165-D245 HydrophobicContact CE1-CB 3.88Å; F165-D245 HydrophobicContact CZ-CB 3.63Å
166	L	98.2	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101.2	173.9	-51.9	-171.9	0	0	0	108.9	L164 I214 I216 L222 V225 V243 V244 D245	L164-L166 HydrophobicContact CD1-CD2 3.95Å; L164-L166 HydrophobicContact CD2-CD2 4.09Å; L164-L166 HydrophobicContact CG-CD2 3.88Å; L164-L166 HydrophobicContact CG-CG 4.41Å; L166-I214 HydrophobicContact CD2-CB 3.82Å; L166-I214 HydrophobicContact CD2-CD1 3.96Å; L166-I214 HydrophobicContact CD2-CG1 4.19Å; L166-I216 HydrophobicContact CB-CG1 4.13Å; L166-L222 HydrophobicContact CD1-CD1 4.17Å; L166-V225 HydrophobicContact CD1-CG1 3.98Å; L166-V225 HydrophobicContact CD2-CG1 3.91Å; L166-V243 WeakPolarHBondContact CB-O 3.34Å; L166-V243 PolarHBondContact N-O 2.85Å; L166-V244 HydrophobicContact CB-CG2 4.42Å; L166-V244 HydrophobicContact CD1-CG2 4.13Å; L166-D245 PolarHBondContact O-N 3.41Å
167	D	97.7	Very high	95.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102	-173	-177.3	17.4	0	0	0	111	F165 E169 G170 N171 F172 Y213 I214 R215 I216	F165-D167 HydrophobicContact CD1-CB 3.8Å; F165-D167 HydrophobicContact CE1-CB 3.73Å; D167-E169 PolarHBondContact OD1-N 3.14Å; D167-G170 WeakPolarHBondContact OD1-CA 3.33Å; D167-G170 PolarHBondContact OD1-N 3.2Å; D167-G170 WeakPolarHBondContact OD2-CA 3.35Å; D167-G170 PolarHBondContact OD2-N 2.86Å; D167-N171 PolarHBondContact OD1-N 3.48Å; D167-N171 PolarHBondContact OD2-N 3.44Å; D167-F172 HydrophobicContact CB-CB 4.45Å; D167-F172 WeakPolarHBondContact OD2-CB 3.36Å; D167-F172 PolarHBondContact OD2-N 3.26Å; D167-Y213 HydrophobicContact CB-CD2 4.3Å; D167-Y213 HydrophobicContact CB-CE2 3.37Å; D167-Y213 WeakPolarHBondContact OD2-CE2 3.43Å; D167-Y213 PolarHBondContact OD2-OH 3.48Å; D167-I214 PolarHBondContact N-O 2.87Å; D167-R215 PolarHBondContact O-NH1 2.98Å; D167-I216 PolarHBondContact O-N 3.26Å
168	T	95	Very high	95.8	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.025	19%	0.192	C	C	.	.	S	Bend	trans	-88.6	-26.2	176.3	82.8	0	0	0	0	111.8	R215 I216 V244 D245 S246 L249 P250	T168-R215 PolarHBondContact O-NH1 2.81Å; T168-I216 WeakPolarHBondContact CA-O 3.5Å; T168-I216 HydrophobicContact CG2-CB 3.91Å; T168-I216 HydrophobicContact CG2-CG1 4.43Å; T168-I216 HydrophobicContact CG2-CG2 3.99Å; T168-V244 HydrophobicContact CG2-CG1 4.25Å; T168-D245 PolarHBondContact N-O 2.91Å; T168-D245 PolarHBondContact OG1-O 2.86Å; T168-S246 WeakPolarHBondContact CB-O 3.46Å; T168-S246 WeakPolarHBondContact CG2-O 3.27Å; T168-S246 PolarHBondContact OG1-N 3.33Å; T168-S246 PolarHBondContact OG1-O 3.44Å; T168-L249 WeakPolarHBondContact O-CD2 3.45Å; T168-P250 HydrophobicContact CG2-CG 3.72Å
169	E	90.8	Very high	96.1	Very high	43 Å²	43	39.9 Å²	39.9	20%	0.201	21%	0.206	C	C	.	.	S	Bend	trans	-87.1	-31.9	-178	-57.9	-163.2	170.2	0	0	113.8	D167 N171 R215 D245 S246 L249 Q288	D167-E169 PolarHBondContact OD1-N 3.14Å; E169-N171 HydrophobicContact CB-CB 4.34Å; E169-N171 WeakPolarHBondContact CB-ND2 3.46Å; E169-N171 PolarHBondContact OE2-ND2 2.83Å; E169-R215 VanDerWaalsContact C-NH1 3.3Å; E169-R215 PolarHBondContact O-NH2 2.84Å; E169-D245 PolarHBondContact N-O 3.46Å; E169-S246 WeakPolarHBondContact OE1-CB 3.32Å; E169-S246 PolarHBondContact OE1-OG 2.59Å; E169-L249 HydrophobicContact CG-CD2 4.24Å; E169-Q288 PolarHBondContact OE1-NE2 3.34Å
170	G	93.3	Very high	96.4	Very high	36 Å²	36	38.7 Å²	38.7	37%	0.371	20%	0.2	S	C	.	.	S	Bend	trans	92.9	19.1	-175.2	0	0	0	0	0	112	D167	D167-G170 WeakPolarHBondContact OD1-CA 3.33Å; D167-G170 PolarHBondContact OD1-N 3.2Å; D167-G170 WeakPolarHBondContact OD2-CA 3.35Å; D167-G170 PolarHBondContact OD2-N 2.86Å
171	N	92.7	Very high	96.6	Very high	79 Å²	79	34.1 Å²	34.1	42%	0.422	18%	0.175	S	C	.	.			trans	-100.4	8.9	-170.7	-72.7	-32.4	0	0	0	112.6	T140 D167 E169 I173	T140-N171 HydrophobicContact CG2-CB 4.5Å; D167-N171 PolarHBondContact OD1-N 3.48Å; D167-N171 PolarHBondContact OD2-N 3.44Å; E169-N171 HydrophobicContact CB-CB 4.34Å; E169-N171 WeakPolarHBondContact CB-ND2 3.46Å; E169-N171 PolarHBondContact OE2-ND2 2.83Å; N171-I173 PolarHBondContact O-N 2.77Å
172	F	96.3	Very high	96.6	Very high	33 Å²	33	35.6 Å²	35.6	15%	0.145	19%	0.185	C	C	.	.			trans	-73.7	114.7	172.6	-173.1	-89.3	0	0	0	110.5	L144 F165 D167 P174 V177 I211 Y213	L144-F172 HydrophobicContact CD2-CD2 3.42Å; L144-F172 VanDerWaalsContact CD2-CD2 3.42Å; L144-F172 HydrophobicContact CD2-CE2 3.53Å; L144-F172 HydrophobicContact CD2-CG 4.38Å; F165-F172 HydrophobicContact CB-CD2 4.42Å; F165-F172 HydrophobicContact CB-CE2 4.34Å; F165-F172 AromaticContact CD1-CD2 3.79Å; F165-F172 HydrophobicContact CD1-CD2 3.79Å; F165-F172 HydrophobicContact CD1-CG 4.49Å; F165-F172 AromaticContact CD2-CD2 3.86Å; F165-F172 HydrophobicContact CD2-CD2 3.86Å; F165-F172 HydrophobicContact CD2-CE2 4.02Å; F165-F172 HydrophobicContact CE1-CB 4.24Å; F165-F172 AromaticContact CE1-CD2 3.95Å; F165-F172 HydrophobicContact CE1-CD2 3.95Å; F165-F172 AromaticContact CE2-CD2 4Å; F165-F172 HydrophobicContact CE2-CD2 4Å; F165-F172 HydrophobicContact CE2-CE2 4.46Å; F165-F172 AromaticContact CG-CD2 3.76Å; F165-F172 HydrophobicContact CG-CD2 3.76Å; F165-F172 HydrophobicContact CG-CE2 4.04Å; F165-F172 HydrophobicContact CZ-CD2 4.05Å; D167-F172 HydrophobicContact CB-CB 4.45Å; D167-F172 WeakPolarHBondContact OD2-CB 3.36Å; D167-F172 PolarHBondContact OD2-N 3.26Å; F172-P174 HydrophobicContact CD1-CG 4.17Å; F172-P174 HydrophobicContact CE1-CB 4.43Å; F172-P174 HydrophobicContact CE1-CG 3.96Å; F172-V177 HydrophobicContact CE1-CG2 4.49Å; F172-V177 HydrophobicContact CE2-CG2 4Å; F172-V177 HydrophobicContact CZ-CG2 3.82Å; F172-I211 HydrophobicContact CE2-CG2 4.26Å; F172-I211 HydrophobicContact CZ-CG2 4.13Å; F172-Y213 HydrophobicContact CB-CD2 4.07Å; F172-Y213 HydrophobicContact CB-CE2 3.51Å; F172-Y213 AromaticContact CD1-CD2 3.81Å; F172-Y213 HydrophobicContact CD1-CD2 3.81Å; F172-Y213 AromaticContact CD1-CE2 3.96Å; F172-Y213 HydrophobicContact CD1-CE2 3.96Å; F172-Y213 HydrophobicContact CD2-CD2 4.19Å; F172-Y213 HydrophobicContact CD2-CE2 4.46Å; F172-Y213 HydrophobicContact CE1-CD2 4.29Å; F172-Y213 AromaticContact CG-CD2 3.76Å; F172-Y213 HydrophobicContact CG-CD2 3.76Å; F172-Y213 AromaticContact CG-CE2 3.73Å; F172-Y213 HydrophobicContact CG-CE2 3.73Å
173	I	96.7	Very high	96.5	Very high	100 Å²	100	34.5 Å²	34.5	51%	0.513	18%	0.184	S	C	.	.			trans	-113.8	105.6	-179.7	-58.8	173.5	0	0	0	108.3	N171 E175 R176 V177	N171-I173 PolarHBondContact O-N 2.77Å; I173-E175 VanDerWaalsContact C-N 3.27Å; I173-E175 HydrophobicContact CG2-CB 4.26Å; I173-E175 PolarHBondContact O-N 3.33Å; I173-R176 HydrophobicContact CB-CB 4.01Å; I173-R176 HydrophobicContact CG2-CB 4.09Å; I173-R176 WeakPolarHBondContact O-CB 3.26Å; I173-R176 PolarHBondContact O-N 2.52Å; I173-V177 PolarHBondContact O-N 2.85Å
174	P	96.8	Very high	96.2	Very high	72 Å²	72	34.7 Å²	34.7	47%	0.468	19%	0.185	S	C	.	.	H	α-helix	trans	-56.9	-38.9	-177.8	-25.5	32.5	0	0	0	113.3	F172 R176 V177 R178 M208	F172-P174 HydrophobicContact CD1-CG 4.17Å; F172-P174 HydrophobicContact CE1-CB 4.43Å; F172-P174 HydrophobicContact CE1-CG 3.96Å; P174-R176 PolarHBondContact O-N 3Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 2.78Å; P174-R178 PolarHBondContact O-N 3.28Å; P174-M208 HydrophobicContact CB-CE 4.05Å; P174-M208 WeakPolarHBondContact O-CE 3.41Å
175	E	97.4	Very high	95.8	Very high	89 Å²	89	36.1 Å²	36.1	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-32.8	178.1	-178.8	54.8	-158.8	0	0	112.3	I173 R178 Q179	I173-E175 VanDerWaalsContact C-N 3.27Å; I173-E175 HydrophobicContact CG2-CB 4.26Å; I173-E175 PolarHBondContact O-N 3.33Å; E175-R178 PolarHBondContact O-N 2.81Å; E175-R178 IonicContact OE1-CZ 3.36Å; E175-R178 IonicContact OE1-NE 3.34Å; E175-R178 PolarHBondContact OE1-NE 3.04Å; E175-R178 IonicContact OE1-NH2 2.63Å; E175-R178 PolarHBondContact OE1-NH2 3.06Å; E175-R178 IonicContact OE2-CZ 3.62Å; E175-R178 IonicContact OE2-NE 2.82Å; E175-R178 PolarHBondContact OE2-NE 2.79Å; E175-R178 IonicContact OE2-NH2 3.58Å; E175-Q179 WeakPolarHBondContact O-CG 3.24Å; E175-Q179 PolarHBondContact O-N 2.68Å
176	R	97.5	Very high	95.3	Very high	28 Å²	28	42.6 Å²	42.6	11%	0.106	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-38.2	175	-179	57.4	-177.3	144.2	6.7	111.7	Q141 L144 I173 P174 R178 Q179 M180 T371 T372	Q141-R176 VanDerWaalsContact OE1-CZ 3.31Å; L144-R176 HydrophobicContact CD1-CB 4.27Å; L144-R176 HydrophobicContact CD1-CG 3.86Å; I173-R176 HydrophobicContact CB-CB 4.01Å; I173-R176 HydrophobicContact CG2-CB 4.09Å; I173-R176 WeakPolarHBondContact O-CB 3.26Å; I173-R176 PolarHBondContact O-N 2.52Å; P174-R176 PolarHBondContact O-N 3Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R176-Q179 PolarHBondContact O-N 2.77Å; R176-M180 HydrophobicContact CG-CE 4.21Å; R176-M180 PolarHBondContact O-N 3.48Å; R176-T371 PolarHBondContact NH1-O 3.49Å; R176-T371 PolarHBondContact NH2-O 2.94Å; R176-T372 PolarHBondContact NH1-O 3.09Å
177	V	97.7	Very high	94.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-43.1	174.5	-177.2	0	0	0	0	110.3	L144 V148 F172 I173 P174 Q179 M180 A181 M208 I211	L144-V177 HydrophobicContact CB-CG2 4.32Å; L144-V177 HydrophobicContact CD1-CG2 4.32Å; L144-V177 HydrophobicContact CD2-CG2 3.74Å; L144-V177 HydrophobicContact CG-CG2 4.32Å; V148-V177 HydrophobicContact CG2-CG1 3.72Å; F172-V177 HydrophobicContact CE1-CG2 4.49Å; F172-V177 HydrophobicContact CE2-CG2 4Å; F172-V177 HydrophobicContact CZ-CG2 3.82Å; I173-V177 PolarHBondContact O-N 2.85Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; P174-V177 PolarHBondContact O-N 2.78Å; V177-Q179 VanDerWaalsContact C-N 3.3Å; V177-Q179 PolarHBondContact O-N 2.98Å; V177-M180 PolarHBondContact O-N 2.91Å; V177-M180 VanDerWaalsContact O-N 3.07Å; V177-A181 WeakPolarHBondContact O-CB 3.48Å; V177-A181 PolarHBondContact O-N 2.81Å; V177-M208 HydrophobicContact CB-CE 4.36Å; V177-M208 HydrophobicContact CB-SD 3.88Å; V177-M208 HydrophobicContact CG1-SD 3.6Å; V177-M208 VanDerWaalsContact CG1-SD 3.6Å; V177-I211 HydrophobicContact CG1-CD1 3.49Å; V177-I211 VanDerWaalsContact CG1-CD1 3.49Å
178	R	97.8	Very high	94	Very high	106 Å²	106	48.6 Å²	48.6	40%	0.4	26%	0.259	S	S	.	.	H	α-helix	trans	-56.5	-43.1	177.4	-167.6	-175.7	69.5	80.4	-2.9	112	P174 E175 R176 M180 A181 S182 V204 M208	P174-R178 PolarHBondContact O-N 3.28Å; E175-R178 PolarHBondContact O-N 2.81Å; E175-R178 IonicContact OE1-CZ 3.36Å; E175-R178 IonicContact OE1-NE 3.34Å; E175-R178 PolarHBondContact OE1-NE 3.04Å; E175-R178 IonicContact OE1-NH2 2.63Å; E175-R178 PolarHBondContact OE1-NH2 3.06Å; E175-R178 IonicContact OE2-CZ 3.62Å; E175-R178 IonicContact OE2-NE 2.82Å; E175-R178 PolarHBondContact OE2-NE 2.79Å; E175-R178 IonicContact OE2-NH2 3.58Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R178-M180 PolarHBondContact O-N 3.37Å; R178-A181 PolarHBondContact O-N 2.88Å; R178-S182 PolarHBondContact O-N 2.81Å; R178-S182 PolarHBondContact O-OG 3.33Å; R178-V204 HydrophobicContact CG-CG1 3.84Å; R178-M208 HydrophobicContact CB-CE 4.39Å; R178-M208 HydrophobicContact CB-SD 4.11Å
179	Q	97.5	Very high	92.9	Very high	75 Å²	75	51.1 Å²	51.1	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.2	-68.8	170.7	-4.3	0	0	112.7	E175 R176 V177 A183	E175-Q179 WeakPolarHBondContact O-CG 3.24Å; E175-Q179 PolarHBondContact O-N 2.68Å; R176-Q179 PolarHBondContact O-N 2.77Å; V177-Q179 VanDerWaalsContact C-N 3.3Å; V177-Q179 PolarHBondContact O-N 2.98Å; Q179-A183 WeakPolarHBondContact O-CB 3.5Å; Q179-A183 PolarHBondContact O-N 3.2Å
180	M	97.5	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-37.4	176.7	-64.9	177.7	-176.8	0	0	111.7	Q141 L144 Q145 V148 R176 V177 R178 A183 L184	Q141-M180 HydrophobicContact CB-CE 4.49Å; L144-M180 HydrophobicContact CB-CE 4.07Å; L144-M180 HydrophobicContact CB-SD 3.88Å; Q145-M180 HydrophobicContact CB-SD 3.99Å; Q145-M180 PolarHBondContact N-SD 3.31Å; V148-M180 HydrophobicContact CG2-CB 4.18Å; R176-M180 HydrophobicContact CG-CE 4.21Å; R176-M180 PolarHBondContact O-N 3.48Å; V177-M180 PolarHBondContact O-N 2.91Å; V177-M180 VanDerWaalsContact O-N 3.07Å; R178-M180 PolarHBondContact O-N 3.37Å; M180-A183 PolarHBondContact O-N 3.35Å; M180-L184 PolarHBondContact O-N 2.9Å
181	A	96.7	Very high	89.8	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-43.5	176.5	0	0	0	0	0	111.9	V148 V177 R178 L184 A185 V204 L207	V148-A181 HydrophobicContact CG1-CB 4.33Å; V148-A181 HydrophobicContact CG2-CB 4.46Å; V177-A181 WeakPolarHBondContact O-CB 3.48Å; V177-A181 PolarHBondContact O-N 2.81Å; R178-A181 PolarHBondContact O-N 2.88Å; A181-L184 PolarHBondContact O-N 3.3Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.38Å; A181-V204 HydrophobicContact CB-CG1 4.05Å; A181-L207 HydrophobicContact CB-CB 3.94Å; A181-L207 HydrophobicContact CB-CD1 3.77Å
182	S	96	Very high	88.3	Confident	34 Å²	34	65.9 Å²	65.9	24%	0.238	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-47.6	171.6	-64.5	0	0	0	0	111.2	R178 L184 A185 D186	R178-S182 PolarHBondContact O-N 2.81Å; R178-S182 PolarHBondContact O-OG 3.33Å; S182-L184 VanDerWaalsContact C-N 3.26Å; S182-L184 PolarHBondContact O-N 2.83Å; S182-A185 PolarHBondContact O-N 3.04Å; S182-A185 VanDerWaalsContact O-N 3.13Å; S182-D186 VanDerWaalsContact O-CG 3.22Å; S182-D186 PolarHBondContact O-N 2.85Å
183	A	94.8	Very high	87.1	Confident	24 Å²	24	69.5 Å²	69.5	20%	0.198	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-28.9	178.3	0	0	0	0	0	113.6	Q179 M180 H187 G373	Q179-A183 WeakPolarHBondContact O-CB 3.5Å; Q179-A183 PolarHBondContact O-N 3.2Å; M180-A183 PolarHBondContact O-N 3.35Å; A183-H187 PolarHBondContact O-N 3.37Å; A183-G373 VanDerWaalsContact CB-CA 3.49Å
184	L	93.1	Very high	86	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-73.6	-43.6	172	177.7	62.7	0	0	0	111.3	M111 V148 I152 M180 A181 S182 D186 H187 Y188 L207	M111-L184 HydrophobicContact CE-CD1 3.82Å; V148-L184 HydrophobicContact CG1-CB 4.05Å; V148-L184 HydrophobicContact CG1-CD2 3.55Å; V148-L184 HydrophobicContact CG1-CG 4.44Å; I152-L184 HydrophobicContact CD1-CD1 4Å; I152-L184 HydrophobicContact CD1-CD2 4.33Å; I152-L184 HydrophobicContact CG1-CD1 4.03Å; I152-L184 HydrophobicContact CG1-CD2 3.73Å; M180-L184 PolarHBondContact O-N 2.9Å; A181-L184 PolarHBondContact O-N 3.3Å; S182-L184 VanDerWaalsContact C-N 3.26Å; S182-L184 PolarHBondContact O-N 2.83Å; L184-D186 VanDerWaalsContact C-N 3.27Å; L184-D186 PolarHBondContact O-N 3.28Å; L184-H187 WeakPolarHBondContact O-CB 3.42Å; L184-H187 PolarHBondContact O-N 3.44Å; L184-Y188 HydrophobicContact CG-CE2 4.28Å; L184-Y188 WeakPolarHBondContact O-CD2 3.37Å; L184-L207 HydrophobicContact CD2-CD1 4.17Å; L184-L207 HydrophobicContact CD2-CD2 4.29Å
185	A	90.3	Very high	85.1	Confident	30 Å²	30	71 Å²	71	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-40.2	177.8	0	0	0	0	0	111.5	A181 S182 H187 Y188 V204	A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.38Å; S182-A185 PolarHBondContact O-N 3.04Å; S182-A185 VanDerWaalsContact O-N 3.13Å; A185-H187 PolarHBondContact O-N 2.77Å; A185-Y188 WeakPolarHBondContact O-CD2 3.4Å; A185-V204 HydrophobicContact CB-CG2 4.24Å
186	D	88.3	Confident	84.2	Confident	135 Å²	135	69.8 Å²	69.8	72%	0.722	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17	175.8	-61.6	-21.2	0	0	0	113.2	S182 L184	S182-D186 VanDerWaalsContact O-CG 3.22Å; S182-D186 PolarHBondContact O-N 2.85Å; L184-D186 VanDerWaalsContact C-N 3.27Å; L184-D186 PolarHBondContact O-N 3.28Å
187	H	86.5	Confident	83	Confident	115 Å²	115	70.9 Å²	70.9	53%	0.532	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.1	-178	-167.7	63.3	0	0	0	113.2	A183 L184 A185	A183-H187 PolarHBondContact O-N 3.37Å; L184-H187 WeakPolarHBondContact O-CB 3.42Å; L184-H187 PolarHBondContact O-N 3.44Å; A185-H187 PolarHBondContact O-N 2.77Å
188	Y	81.5	Confident	81.8	Confident	13 Å²	13	78.5 Å²	78.5	5%	0.051	38%	0.384	C	S	.	.	S	Bend	trans	-64.6	135.9	176.2	-68.5	-67.5	0	0	0	110.1	P153 W155 F156 L184 A185 E190 C201 P202	P153-Y188 WeakPolarHBondContact CD-OH 3.12Å; W155-Y188 AromaticContact CH2-CD1 3.73Å; W155-Y188 HydrophobicContact CH2-CD1 3.73Å; W155-Y188 HydrophobicContact CH2-CE1 4.1Å; W155-Y188 HydrophobicContact CZ2-CD1 4.22Å; W155-Y188 HydrophobicContact CZ2-CE1 4.23Å; F156-Y188 HydrophobicContact CB-CE1 4.18Å; F156-Y188 AromaticContact CD1-CD1 3.88Å; F156-Y188 HydrophobicContact CD1-CD1 3.88Å; F156-Y188 AromaticContact CD1-CE1 3.46Å; F156-Y188 HydrophobicContact CD1-CE1 3.46Å; F156-Y188 VanDerWaalsContact CD1-CE1 3.46Å; F156-Y188 HydrophobicContact CD2-CD1 4.47Å; F156-Y188 AromaticContact CE1-CD1 3.97Å; F156-Y188 HydrophobicContact CE1-CD1 3.97Å; F156-Y188 AromaticContact CE1-CE1 3.92Å; F156-Y188 HydrophobicContact CE1-CE1 3.92Å; F156-Y188 HydrophobicContact CG-CD1 4.13Å; F156-Y188 AromaticContact CG-CE1 3.85Å; F156-Y188 HydrophobicContact CG-CE1 3.85Å; F156-Y188 HydrophobicContact CZ-CD1 4.31Å; L184-Y188 HydrophobicContact CG-CE2 4.28Å; L184-Y188 WeakPolarHBondContact O-CD2 3.37Å; A185-Y188 WeakPolarHBondContact O-CD2 3.4Å; Y188-E190 PolarHBondContact O-N 3.47Å; Y188-C201 HydrophobicContact CD2-CB 3.97Å; Y188-C201 HydrophobicContact CE2-CB 4.2Å; Y188-C201 HydrophobicContact CG-CB 4.28Å; Y188-P202 HydrophobicContact CE2-CG 4.2Å; Y188-P202 WeakPolarHBondContact OH-CD 3.41Å
189	P	70.8	Confident	81	Confident	56 Å²	56	79.8 Å²	79.8	36%	0.364	40%	0.395	S	S	.	.			trans	-61.5	126.6	-173.5	21.3	-30.7	0	0	0	111.6	R191 T192	P189-R191 PolarHBondContact O-N 2.87Å; P189-T192 PolarHBondContact O-N 2.95Å; P189-T192 PolarHBondContact O-OG1 3.39Å
190	E	62.9	Low	80.2	Confident	189 Å²	189	81.4 Å²	81.4	88%	0.883	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20	172.6	-65.4	-179.9	170.6	0	0	112.7	Y188 T192	Y188-E190 PolarHBondContact O-N 3.47Å; E190-T192 PolarHBondContact O-N 3.08Å
191	R	56.8	Low	79.6	Confident	245 Å²	245	82.2 Å²	82.2	93%	0.925	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.3	-176.5	-65.8	-170.5	175.7	-171.1	-1.1	114.5	P189	P189-R191 PolarHBondContact O-N 2.87Å
192	T	62.5	Low	79.2	Confident	35 Å²	35	83.1 Å²	83.1	22%	0.215	41%	0.41	C	S	.	.	S	Bend	trans	-87.5	137.8	174.9	-14.3	0	0	0	0	108.9	P189 E190 E194 F196 I197	P189-T192 PolarHBondContact O-N 2.95Å; P189-T192 PolarHBondContact O-OG1 3.39Å; E190-T192 PolarHBondContact O-N 3.08Å; T192-E194 PolarHBondContact O-N 2.97Å; T192-F196 HydrophobicContact CG2-CB 4.06Å; T192-F196 HydrophobicContact CG2-CD1 3.23Å; T192-F196 HydrophobicContact CG2-CE1 3.77Å; T192-F196 HydrophobicContact CG2-CG 3.73Å; T192-I197 WeakPolarHBondContact O-CD1 3.38Å
193	D	70.8	Confident	79.1	Confident	109 Å²	109	85.1 Å²	85.1	58%	0.583	42%	0.421	S	S	*	.			trans	-43.8	130.1	175.1	-172.3	-31.6	0	0	0	109.8	S195 F196 I197	D193-S195 PolarHBondContact O-N 3.02Å; D193-S195 WeakPolarHBondContact OD1-CB 3.5Å; D193-S195 PolarHBondContact OD1-N 3.19Å; D193-S195 PolarHBondContact OD1-OG 2.97Å; D193-S195 PolarHBondContact OD2-OG 3.26Å; D193-F196 HydrophobicContact CB-CB 4.15Å; D193-F196 WeakPolarHBondContact O-CA 3.45Å; D193-F196 VanDerWaalsContact O-CB 3.27Å; D193-F196 WeakPolarHBondContact O-CB 3.46Å; D193-F196 PolarHBondContact O-N 3.46Å; D193-I197 PolarHBondContact O-N 3.33Å
194	E	72.6	Confident	79.1	Confident	136 Å²	136	85.3 Å²	85.3	64%	0.636	42%	0.419	S	S	*	.	H	α-helix	trans	-52.3	-33	-179	-77.3	-169.1	-171.2	0	0	111.9	T192 I197 K198	T192-E194 PolarHBondContact O-N 2.97Å; E194-I197 PolarHBondContact O-N 3.43Å; E194-K198 WeakPolarHBondContact O-CB 3.48Å; E194-K198 WeakPolarHBondContact O-CG 3.06Å; E194-K198 PolarHBondContact O-N 3.3Å; E194-K198 IonicContact OE2-NZ 3.52Å
195	S	77.2	Confident	79.1	Confident	66 Å²	66	91.6 Å²	91.6	46%	0.462	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-41.4	174.9	63.8	0	0	0	0	111.9	D193 Q199	D193-S195 PolarHBondContact O-N 3.02Å; D193-S195 WeakPolarHBondContact OD1-CB 3.5Å; D193-S195 PolarHBondContact OD1-N 3.19Å; D193-S195 PolarHBondContact OD1-OG 2.97Å; D193-S195 PolarHBondContact OD2-OG 3.26Å; S195-Q199 VanDerWaalsContact O-CB 3.25Å; S195-Q199 WeakPolarHBondContact O-CB 3.43Å; S195-Q199 PolarHBondContact O-N 3.24Å
196	F	78.8	Confident	79.3	Confident	64 Å²	64	92.8 Å²	92.8	28%	0.281	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-45.9	175.1	-173.6	-83.4	0	0	0	111.4	W155 T192 D193 K198 Q199 Y200	W155-F196 HydrophobicContact CD2-CE1 4.14Å; W155-F196 HydrophobicContact CD2-CZ 4.15Å; W155-F196 AromaticContact CE2-CE1 3.92Å; W155-F196 HydrophobicContact CE3-CE1 4.27Å; W155-F196 HydrophobicContact CE3-CZ 4.47Å; W155-F196 HydrophobicContact CG-CZ 4.43Å; W155-F196 HydrophobicContact CH2-CE1 4.08Å; W155-F196 AromaticContact CZ2-CE1 3.92Å; W155-F196 HydrophobicContact CZ2-CE1 3.92Å; W155-F196 HydrophobicContact CZ3-CE1 4.24Å; T192-F196 HydrophobicContact CG2-CB 4.06Å; T192-F196 HydrophobicContact CG2-CD1 3.23Å; T192-F196 HydrophobicContact CG2-CE1 3.77Å; T192-F196 HydrophobicContact CG2-CG 3.73Å; D193-F196 HydrophobicContact CB-CB 4.15Å; D193-F196 WeakPolarHBondContact O-CA 3.45Å; D193-F196 VanDerWaalsContact O-CB 3.27Å; D193-F196 WeakPolarHBondContact O-CB 3.46Å; D193-F196 PolarHBondContact O-N 3.46Å; F196-K198 PolarHBondContact O-N 2.64Å; F196-Q199 PolarHBondContact O-N 3.28Å; F196-Y200 HydrophobicContact CB-CD2 4.45Å; F196-Y200 HydrophobicContact CD1-CD2 4.14Å; F196-Y200 AromaticContact CD2-CD2 3.41Å; F196-Y200 HydrophobicContact CD2-CD2 3.41Å; F196-Y200 VanDerWaalsContact CD2-CD2 3.41Å; F196-Y200 AromaticContact CD2-CE2 3.7Å; F196-Y200 HydrophobicContact CD2-CE2 3.7Å; F196-Y200 HydrophobicContact CD2-CG 4.38Å; F196-Y200 HydrophobicContact CE1-CD2 4.23Å; F196-Y200 HydrophobicContact CE1-CG 4.4Å; F196-Y200 AromaticContact CE2-CD2 3.5Å; F196-Y200 HydrophobicContact CE2-CD2 3.5Å; F196-Y200 VanDerWaalsContact CE2-CD2 3.5Å; F196-Y200 AromaticContact CE2-CE2 3.83Å; F196-Y200 HydrophobicContact CE2-CE2 3.83Å; F196-Y200 HydrophobicContact CE2-CG 4.11Å; F196-Y200 AromaticContact CG-CD2 3.75Å; F196-Y200 HydrophobicContact CG-CD2 3.75Å; F196-Y200 HydrophobicContact CG-CE2 4.4Å; F196-Y200 AromaticContact CZ-CD2 3.93Å; F196-Y200 HydrophobicContact CZ-CD2 3.93Å; F196-Y200 HydrophobicContact CZ-CG 4.13Å; F196-Y200 WeakPolarHBondContact O-CB 3.12Å; F196-Y200 WeakPolarHBondContact O-CD2 3.22Å; F196-Y200 PolarHBondContact O-N 3.08Å
197	I	72.2	Confident	79.7	Confident	51 Å²	51	86.3 Å²	86.3	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-48.5	179.2	-61.8	179.7	0	0	0	110	T192 D193 E194 Q199 Y200 C201	T192-I197 WeakPolarHBondContact O-CD1 3.38Å; D193-I197 PolarHBondContact O-N 3.33Å; E194-I197 PolarHBondContact O-N 3.43Å; I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 2.91Å; I197-Y200 PolarHBondContact O-N 2.75Å; I197-C201 HydrophobicContact CG2-CB 3.99Å; I197-C201 WeakPolarHBondContact O-CA 3.48Å; I197-C201 WeakPolarHBondContact O-CB 3.21Å; I197-C201 PolarHBondContact O-N 2.76Å
198	K	74.2	Confident	80.2	Confident	161 Å²	161	83.6 Å²	83.6	70%	0.7	41%	0.409	S	S	*	.	H	α-helix	trans	-63	-32.1	179.3	-74.7	171.3	-178.2	158.6	0	113.1	E194 F196	E194-K198 WeakPolarHBondContact O-CB 3.48Å; E194-K198 WeakPolarHBondContact O-CG 3.06Å; E194-K198 PolarHBondContact O-N 3.3Å; E194-K198 IonicContact OE2-NZ 3.52Å; F196-K198 PolarHBondContact O-N 2.64Å
199	Q	79.2	Confident	81	Confident	134 Å²	134	87 Å²	87	63%	0.626	43%	0.434	S	S	*	.	H	α-helix	trans	-85.4	-33.8	-177.2	-174.4	173.9	2.4	0	0	113.3	S195 F196 I197	S195-Q199 VanDerWaalsContact O-CB 3.25Å; S195-Q199 WeakPolarHBondContact O-CB 3.43Å; S195-Q199 PolarHBondContact O-N 3.24Å; F196-Q199 PolarHBondContact O-N 3.28Å; I197-Q199 VanDerWaalsContact C-N 3.26Å; I197-Q199 PolarHBondContact O-N 2.91Å
200	Y	82	Confident	82.2	Confident	108 Å²	108	84.4 Å²	84.4	42%	0.424	42%	0.418	S	S	.	.	H	α-helix	trans	-122.4	-13.5	-166.9	-62.7	-76.2	0	0	0	115.2	P153 W155 F196 I197	P153-Y200 VanDerWaalsContact CG-O 3.29Å; P153-Y200 WeakPolarHBondContact CG-O 3.25Å; W155-Y200 PolarHBondContact NE1-O 3.13Å; F196-Y200 HydrophobicContact CB-CD2 4.45Å; F196-Y200 HydrophobicContact CD1-CD2 4.14Å; F196-Y200 AromaticContact CD2-CD2 3.41Å; F196-Y200 HydrophobicContact CD2-CD2 3.41Å; F196-Y200 VanDerWaalsContact CD2-CD2 3.41Å; F196-Y200 AromaticContact CD2-CE2 3.7Å; F196-Y200 HydrophobicContact CD2-CE2 3.7Å; F196-Y200 HydrophobicContact CD2-CG 4.38Å; F196-Y200 HydrophobicContact CE1-CD2 4.23Å; F196-Y200 HydrophobicContact CE1-CG 4.4Å; F196-Y200 AromaticContact CE2-CD2 3.5Å; F196-Y200 HydrophobicContact CE2-CD2 3.5Å; F196-Y200 VanDerWaalsContact CE2-CD2 3.5Å; F196-Y200 AromaticContact CE2-CE2 3.83Å; F196-Y200 HydrophobicContact CE2-CE2 3.83Å; F196-Y200 HydrophobicContact CE2-CG 4.11Å; F196-Y200 AromaticContact CG-CD2 3.75Å; F196-Y200 HydrophobicContact CG-CD2 3.75Å; F196-Y200 HydrophobicContact CG-CE2 4.4Å; F196-Y200 AromaticContact CZ-CD2 3.93Å; F196-Y200 HydrophobicContact CZ-CD2 3.93Å; F196-Y200 HydrophobicContact CZ-CG 4.13Å; F196-Y200 WeakPolarHBondContact O-CB 3.12Å; F196-Y200 WeakPolarHBondContact O-CD2 3.22Å; F196-Y200 PolarHBondContact O-N 3.08Å; I197-Y200 PolarHBondContact O-N 2.75Å
201	C	84.8	Confident	83.9	Confident	17 Å²	17	76.3 Å²	76.3	12%	0.115	38%	0.381	C	S	.	.	S	Bend	trans	-93.3	133.1	173.5	-61.2	0	0	0	0	110.3	W155 Y188 I197	W155-C201 VanDerWaalsContact CZ2-SG 3.56Å; Y188-C201 HydrophobicContact CD2-CB 3.97Å; Y188-C201 HydrophobicContact CE2-CB 4.2Å; Y188-C201 HydrophobicContact CG-CB 4.28Å; I197-C201 HydrophobicContact CG2-CB 3.99Å; I197-C201 WeakPolarHBondContact O-CA 3.48Å; I197-C201 WeakPolarHBondContact O-CB 3.21Å; I197-C201 PolarHBondContact O-N 2.76Å
202	P	88.7	Confident	85.8	Confident	20 Å²	20	66.6 Å²	66.6	13%	0.13	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.6	134.8	178.3	30.6	-35.3	0	0	0	110.7	Y188 L207	Y188-P202 HydrophobicContact CE2-CG 4.2Å; Y188-P202 WeakPolarHBondContact OH-CD 3.41Å; P202-L207 HydrophobicContact CB-CD2 3.83Å; P202-L207 HydrophobicContact CB-CG 3.96Å; P202-L207 HydrophobicContact CG-CD1 4.47Å; P202-L207 HydrophobicContact CG-CD2 3.74Å; P202-L207 HydrophobicContact CG-CG 4.14Å
203	T	92.3	Very high	87.5	Confident	75 Å²	75	69.7 Å²	69.7	46%	0.46	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-74.1	164.7	171.4	77.1	0	0	0	0	111	E205 S206 L207	T203-E205 WeakPolarHBondContact CB-OE2 3.32Å; T203-E205 PolarHBondContact O-N 3.47Å; T203-E205 PolarHBondContact OG1-N 2.82Å; T203-E205 PolarHBondContact OG1-OE2 3.04Å; T203-S206 WeakPolarHBondContact O-CB 3.36Å; T203-S206 PolarHBondContact O-N 3.41Å; T203-S206 VanDerWaalsContact O-N 3.12Å; T203-S206 PolarHBondContact OG1-N 2.77Å; T203-S206 VanDerWaalsContact OG1-N 3.14Å; T203-L207 WeakPolarHBondContact O-CG 3.41Å; T203-L207 PolarHBondContact O-N 3.21Å
204	V	94.8	Very high	88.8	Confident	28 Å²	28	66.7 Å²	66.7	17%	0.17	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-40.8	175.5	179.4	0	0	0	0	110.9	R178 A181 A185 L207 M208	R178-V204 HydrophobicContact CG-CG1 3.84Å; A181-V204 HydrophobicContact CB-CG1 4.05Å; A185-V204 HydrophobicContact CB-CG2 4.24Å; V204-L207 PolarHBondContact O-N 2.82Å; V204-M208 HydrophobicContact CG1-CG 4.42Å; V204-M208 WeakPolarHBondContact O-CG 3.32Å; V204-M208 PolarHBondContact O-N 3.33Å
205	E	95.1	Very high	90	Very high	136 Å²	136	64.5 Å²	64.5	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-42.8	176.5	-59.6	73.7	-160.3	0	0	111.4	T203 M208 S209	T203-E205 WeakPolarHBondContact CB-OE2 3.32Å; T203-E205 PolarHBondContact O-N 3.47Å; T203-E205 PolarHBondContact OG1-N 2.82Å; T203-E205 PolarHBondContact OG1-OE2 3.04Å; E205-M208 PolarHBondContact O-N 3.49Å; E205-S209 WeakPolarHBondContact O-CB 3.31Å; E205-S209 PolarHBondContact O-N 2.9Å; E205-S209 PolarHBondContact O-OG 2.93Å
206	S	94.2	Very high	90.8	Very high	55 Å²	55	61.3 Å²	61.3	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-46.5	175	-174.2	0	0	0	0	110.9	Q151 T203 M208 S209 G210	Q151-S206 PolarHBondContact OE1-O 3.39Å; T203-S206 WeakPolarHBondContact O-CB 3.36Å; T203-S206 PolarHBondContact O-N 3.41Å; T203-S206 VanDerWaalsContact O-N 3.12Å; T203-S206 PolarHBondContact OG1-N 2.77Å; T203-S206 VanDerWaalsContact OG1-N 3.14Å; S206-M208 VanDerWaalsContact C-N 3.32Å; S206-M208 PolarHBondContact O-N 2.86Å; S206-S209 PolarHBondContact O-N 3.43Å; S206-S209 PolarHBondContact O-OG 2.75Å; S206-G210 PolarHBondContact O-N 3.33Å
207	L	96.5	Very high	91.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-39.7	178.3	-70.4	172.4	0	0	0	112.2	V148 Q151 A181 L184 P202 T203 V204	V148-L207 HydrophobicContact CG1-CD1 4.32Å; Q151-L207 HydrophobicContact CB-CD2 3.58Å; Q151-L207 HydrophobicContact CG-CD2 4.4Å; Q151-L207 PolarHBondContact NE2-O 2.93Å; Q151-L207 VanDerWaalsContact OE1-CA 3.29Å; Q151-L207 PolarHBondContact OE1-O 3.11Å; A181-L207 HydrophobicContact CB-CB 3.94Å; A181-L207 HydrophobicContact CB-CD1 3.77Å; L184-L207 HydrophobicContact CD2-CD1 4.17Å; L184-L207 HydrophobicContact CD2-CD2 4.29Å; P202-L207 HydrophobicContact CB-CD2 3.83Å; P202-L207 HydrophobicContact CB-CG 3.96Å; P202-L207 HydrophobicContact CG-CD1 4.47Å; P202-L207 HydrophobicContact CG-CD2 3.74Å; P202-L207 HydrophobicContact CG-CG 4.14Å; T203-L207 WeakPolarHBondContact O-CG 3.41Å; T203-L207 PolarHBondContact O-N 3.21Å; V204-L207 PolarHBondContact O-N 2.82Å
208	M	97	Very high	92.4	Very high	57 Å²	57	63.4 Å²	63.4	28%	0.281	32%	0.32	S	S	.	.	H	α-helix	trans	-69.3	-39	176.6	-68.2	-66.6	-67.6	0	0	111.6	P174 V177 R178 V204 E205 S206 G210 I211	P174-M208 HydrophobicContact CB-CE 4.05Å; P174-M208 WeakPolarHBondContact O-CE 3.41Å; V177-M208 HydrophobicContact CB-CE 4.36Å; V177-M208 HydrophobicContact CB-SD 3.88Å; V177-M208 HydrophobicContact CG1-SD 3.6Å; V177-M208 VanDerWaalsContact CG1-SD 3.6Å; R178-M208 HydrophobicContact CB-CE 4.39Å; R178-M208 HydrophobicContact CB-SD 4.11Å; V204-M208 HydrophobicContact CG1-CG 4.42Å; V204-M208 WeakPolarHBondContact O-CG 3.32Å; V204-M208 PolarHBondContact O-N 3.33Å; E205-M208 PolarHBondContact O-N 3.49Å; S206-M208 VanDerWaalsContact C-N 3.32Å; S206-M208 PolarHBondContact O-N 2.86Å; M208-G210 VanDerWaalsContact C-N 3.32Å; M208-G210 PolarHBondContact O-N 2.82Å; M208-I211 PolarHBondContact O-N 2.86Å
209	S	96.8	Very high	93.2	Very high	84 Å²	84	57.4 Å²	57.4	59%	0.587	29%	0.294	S	S	*	.	H	α-helix	trans	-70.5	-24.4	-180	75	0	0	0	0	114	E205 S206 I211	E205-S209 WeakPolarHBondContact O-CB 3.31Å; E205-S209 PolarHBondContact O-N 2.9Å; E205-S209 PolarHBondContact O-OG 2.93Å; S206-S209 PolarHBondContact O-N 3.43Å; S206-S209 PolarHBondContact O-OG 2.75Å; S209-I211 PolarHBondContact O-N 2.79Å
210	G	96.8	Very high	93.8	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	8.2	178	0	0	0	0	0	115.1	Q162 A163 S206 M208	Q162-G210 WeakPolarHBondContact CA-O 3.48Å; Q162-G210 VanDerWaalsContact CB-O 3.3Å; Q162-G210 WeakPolarHBondContact CB-O 3.36Å; A163-G210 PolarHBondContact N-O 2.72Å; S206-G210 PolarHBondContact O-N 3.33Å; M208-G210 VanDerWaalsContact C-N 3.32Å; M208-G210 PolarHBondContact O-N 2.82Å
211	I	98.1	Very high	94.4	Very high	20 Å²	20	55.2 Å²	55.2	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108	179.5	-56.7	169.1	0	0	0	109.4	C147 A163 F172 V177 M208 S209	C147-I211 HydrophobicContact CB-CD1 3.87Å; C147-I211 HydrophobicContact CB-CG1 4.11Å; C147-I211 HydrophobicContact CB-CG2 4.41Å; A163-I211 HydrophobicContact CB-CG1 4.37Å; F172-I211 HydrophobicContact CE2-CG2 4.26Å; F172-I211 HydrophobicContact CZ-CG2 4.13Å; V177-I211 HydrophobicContact CG1-CD1 3.49Å; V177-I211 VanDerWaalsContact CG1-CD1 3.49Å; M208-I211 PolarHBondContact O-N 2.86Å; S209-I211 PolarHBondContact O-N 2.79Å
212	H	97.9	Very high	94.9	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.19	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.1	173.6	-59.3	-82.6	0	0	0	109.7	Q162 A163 L164 F165 F232 H236	Q162-H212 PolarHBondContact OE1-NE2 3.31Å; A163-H212 PolarHBondContact O-CD2 2.97Å; A163-H212 PolarHBondContact O-N 3.2Å; L164-H212 CarbonylContact C-O 3.24Å; L164-H212 WeakPolarHBondContact CA-O 3.41Å; L164-H212 HydrophobicContact CD1-CB 3.82Å; F165-H212 PolarHBondContact N-O 3.3Å; H212-F232 HydrophobicContact CB-CZ 4.09Å; H212-H236 AromaticContact CE1-CE1 3.65Å; H212-H236 AromaticContact CE1-ND1 3.57Å; H212-H236 AromaticContact NE2-ND1 3.84Å
213	Y	97.9	Very high	95.2	Very high	100 Å²	100	54.3 Å²	54.3	39%	0.392	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.3	-175.5	172.6	-95.3	0	0	0	111.5	F165 D167 F172 R215	F165-Y213 HydrophobicContact CD1-CD2 4.44Å; D167-Y213 HydrophobicContact CB-CD2 4.3Å; D167-Y213 HydrophobicContact CB-CE2 3.37Å; D167-Y213 WeakPolarHBondContact OD2-CE2 3.43Å; D167-Y213 PolarHBondContact OD2-OH 3.48Å; F172-Y213 HydrophobicContact CB-CD2 4.07Å; F172-Y213 HydrophobicContact CB-CE2 3.51Å; F172-Y213 AromaticContact CD1-CD2 3.81Å; F172-Y213 HydrophobicContact CD1-CD2 3.81Å; F172-Y213 AromaticContact CD1-CE2 3.96Å; F172-Y213 HydrophobicContact CD1-CE2 3.96Å; F172-Y213 HydrophobicContact CD2-CD2 4.19Å; F172-Y213 HydrophobicContact CD2-CE2 4.46Å; F172-Y213 HydrophobicContact CE1-CD2 4.29Å; F172-Y213 AromaticContact CG-CD2 3.76Å; F172-Y213 HydrophobicContact CG-CD2 3.76Å; F172-Y213 AromaticContact CG-CE2 3.73Å; F172-Y213 HydrophobicContact CG-CE2 3.73Å; Y213-R215 HydrophobicContact CE1-CB 4.07Å; Y213-R215 WeakPolarHBondContact OH-CD 3.46Å
214	I	97.3	Very high	95.3	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.236	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.5	172.5	-55	179.2	0	0	0	109.6	L164 F165 L166 D167 I216 V225	L164-I214 HydrophobicContact CD1-CD1 3.94Å; L164-I214 HydrophobicContact CD1-CG1 4.1Å; F165-I214 PolarHBondContact O-N 3.47Å; L166-I214 HydrophobicContact CD2-CB 3.82Å; L166-I214 HydrophobicContact CD2-CD1 3.96Å; L166-I214 HydrophobicContact CD2-CG1 4.19Å; D167-I214 PolarHBondContact N-O 2.87Å; I214-I216 HydrophobicContact CG2-CD1 3.84Å; I214-V225 HydrophobicContact CD1-CG1 4.21Å; I214-V225 HydrophobicContact CG2-CG2 4.22Å
215	R	97.4	Very high	95.3	Very high	89 Å²	89	52.8 Å²	52.8	34%	0.336	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.2	169.9	-177.2	71.8	178.8	127.1	-9.7	110.4	D167 T168 E169 Y213 K221	D167-R215 PolarHBondContact O-NH1 2.98Å; T168-R215 PolarHBondContact O-NH1 2.81Å; E169-R215 VanDerWaalsContact C-NH1 3.3Å; E169-R215 PolarHBondContact O-NH2 2.84Å; Y213-R215 HydrophobicContact CE1-CB 4.07Å; Y213-R215 WeakPolarHBondContact OH-CD 3.46Å; R215-K221 WeakPolarHBondContact O-CE 3.45Å; R215-K221 PolarHBondContact O-NZ 2.95Å
216	I	95.9	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.			trans	-105.9	125.7	174.9	-56.8	-59.1	0	0	0	108.8	L166 D167 T168 I214 D218 K221 L222 V225	L166-I216 HydrophobicContact CB-CG1 4.13Å; D167-I216 PolarHBondContact O-N 3.26Å; T168-I216 WeakPolarHBondContact CA-O 3.5Å; T168-I216 HydrophobicContact CG2-CB 3.91Å; T168-I216 HydrophobicContact CG2-CG1 4.43Å; T168-I216 HydrophobicContact CG2-CG2 3.99Å; I214-I216 HydrophobicContact CG2-CD1 3.84Å; I216-D218 WeakPolarHBondContact CG2-O 3.39Å; I216-K221 HydrophobicContact CD1-CG 4.15Å; I216-L222 HydrophobicContact CG1-CD1 4.43Å; I216-L222 HydrophobicContact CG2-CB 3.76Å; I216-L222 HydrophobicContact CG2-CD1 4.48Å; I216-V225 HydrophobicContact CD1-CB 4.33Å; I216-V225 HydrophobicContact CD1-CG2 3.82Å
217	T	92.7	Very high	95.3	Very high	96 Å²	96	49 Å²	49	59%	0.589	25%	0.249	S	C	*	.			trans	-99.6	-27.3	-176.4	47.1	0	0	0	0	113.2
218	D	91.3	Very high	95.1	Very high	62 Å²	62	53.6 Å²	53.6	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-157.5	175.5	-172.6	57.1	63.2	0	0	0	110.9	I216 L220 K221 L222	I216-D218 WeakPolarHBondContact CG2-O 3.39Å; D218-L220 WeakPolarHBondContact OD1-CA 3.5Å; D218-L220 WeakPolarHBondContact OD1-CB 3.4Å; D218-L220 PolarHBondContact OD1-N 3.35Å; D218-K221 WeakPolarHBondContact OD1-CB 3.46Å; D218-K221 PolarHBondContact OD1-N 3.41Å; D218-L222 PolarHBondContact O-N 3.17Å
219	H	90.8	Very high	95	Very high	36 Å²	36	51 Å²	51	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-27.9	-177.5	63.4	-90.8	0	0	0	113.4	L222 L223 P250 F251 F255	H219-L222 PolarHBondContact O-N 3.38Å; H219-L223 WeakPolarHBondContact O-CB 3.4Å; H219-L223 PolarHBondContact O-N 2.89Å; H219-P250 HydrophobicContact CB-CB 3.98Å; H219-F251 HydrophobicContact CB-CD1 4.21Å; H219-F251 HydrophobicContact CB-CE1 3.88Å; H219-F251 HydrophobicContact CB-CE2 4.49Å; H219-F251 HydrophobicContact CB-CZ 4.05Å; H219-F255 HydrophobicContact CB-CE2 4.28Å; H219-F255 HydrophobicContact CB-CZ 4.18Å; H219-F255 AromaticContact CD2-CZ 3.67Å; H219-F255 AromaticContact CE1-CZ 3.81Å; H219-F255 AromaticContact CG-CE2 3.88Å; H219-F255 AromaticContact CG-CZ 3.59Å; H219-F255 AromaticContact ND1-CE2 3.67Å; H219-F255 AromaticContact ND1-CZ 3.68Å; H219-F255 AromaticContact NE2-CZ 3.82Å
220	L	92.5	Very high	94.7	Very high	114 Å²	114	48.8 Å²	48.8	60%	0.597	24%	0.238	S	C	*	.	H	α-helix	trans	-70.2	-43.1	178.9	-64.7	176.6	0	0	0	110.5	D218 L223 A224	D218-L220 WeakPolarHBondContact OD1-CA 3.5Å; D218-L220 WeakPolarHBondContact OD1-CB 3.4Å; D218-L220 PolarHBondContact OD1-N 3.35Å; L220-L223 PolarHBondContact O-N 2.86Å; L220-A224 WeakPolarHBondContact O-CB 3.44Å; L220-A224 PolarHBondContact O-N 2.94Å
221	K	94.6	Very high	94.5	Very high	82 Å²	82	53.1 Å²	53.1	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-42	174.4	-170.5	172.1	-174.2	-176.2	0	111.2	R215 I216 D218 A224 V225	R215-K221 WeakPolarHBondContact O-CE 3.45Å; R215-K221 PolarHBondContact O-NZ 2.95Å; I216-K221 HydrophobicContact CD1-CG 4.15Å; D218-K221 WeakPolarHBondContact OD1-CB 3.46Å; D218-K221 PolarHBondContact OD1-N 3.41Å; K221-A224 PolarHBondContact O-N 3.3Å; K221-V225 WeakPolarHBondContact O-CG2 3.1Å; K221-V225 PolarHBondContact O-N 3.01Å
222	L	95.2	Very high	94.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-49	174.4	-176	54.4	0	0	0	111.3	L166 I216 D218 H219 A224 V225 C226 V244 I247 P250 F251 V268	L166-L222 HydrophobicContact CD1-CD1 4.17Å; I216-L222 HydrophobicContact CG1-CD1 4.43Å; I216-L222 HydrophobicContact CG2-CB 3.76Å; I216-L222 HydrophobicContact CG2-CD1 4.48Å; D218-L222 PolarHBondContact O-N 3.17Å; H219-L222 PolarHBondContact O-N 3.38Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 2.91Å; L222-V225 PolarHBondContact O-N 2.86Å; L222-C226 WeakPolarHBondContact O-CB 3.4Å; L222-C226 PolarHBondContact O-N 2.87Å; L222-C226 PolarHBondContact O-SG 3.21Å; L222-V244 HydrophobicContact CD1-CG1 4.27Å; L222-I247 HydrophobicContact CD2-CD1 3.79Å; L222-P250 HydrophobicContact CD2-CB 4.49Å; L222-P250 HydrophobicContact CD2-CG 4.12Å; L222-F251 HydrophobicContact CD2-CE2 3.86Å; L222-V268 HydrophobicContact CD2-CG1 4.47Å; L222-V268 HydrophobicContact CG-CG1 4.49Å
223	L	93.5	Very high	94.2	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.4	-172.3	74	0	0	0	111.6	H219 L220 C226 R227 L264 V268 M271	H219-L223 WeakPolarHBondContact O-CB 3.4Å; H219-L223 PolarHBondContact O-N 2.89Å; L220-L223 PolarHBondContact O-N 2.86Å; L223-C226 PolarHBondContact O-N 2.8Å; L223-R227 WeakPolarHBondContact O-CG 3.46Å; L223-R227 PolarHBondContact O-N 3.48Å; L223-L264 HydrophobicContact CD2-CD2 4.35Å; L223-V268 HydrophobicContact CD1-CG2 3.85Å; L223-M271 HydrophobicContact CD1-CE 3.62Å
224	A	94.8	Very high	94	Very high	45 Å²	45	51.1 Å²	51.1	37%	0.372	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-45	177.6	0	0	0	0	0	111.7	L220 K221 L222 R227 H228	L220-A224 WeakPolarHBondContact O-CB 3.44Å; L220-A224 PolarHBondContact O-N 2.94Å; K221-A224 PolarHBondContact O-N 3.3Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 2.91Å; A224-R227 PolarHBondContact O-N 3.03Å; A224-H228 PolarHBondContact O-N 3.3Å; A224-H228 PolarHBondContact O-ND1 3.3Å
225	V	95.8	Very high	93.9	Very high	25 Å²	25	55 Å²	55	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-49.8	174.9	169.9	0	0	0	0	110	L166 I214 I216 K221 L222 R227 H228 L229	L166-V225 HydrophobicContact CD1-CG1 3.98Å; L166-V225 HydrophobicContact CD2-CG1 3.91Å; I214-V225 HydrophobicContact CD1-CG1 4.21Å; I214-V225 HydrophobicContact CG2-CG2 4.22Å; I216-V225 HydrophobicContact CD1-CB 4.33Å; I216-V225 HydrophobicContact CD1-CG2 3.82Å; K221-V225 WeakPolarHBondContact O-CG2 3.1Å; K221-V225 PolarHBondContact O-N 3.01Å; L222-V225 PolarHBondContact O-N 2.86Å; V225-R227 VanDerWaalsContact C-N 3.29Å; V225-R227 PolarHBondContact O-N 3.33Å; V225-H228 CarbonylContact O-C 3.57Å; V225-H228 PolarHBondContact O-N 2.92Å; V225-L229 HydrophobicContact CG1-CD2 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.41Å; V225-L229 WeakPolarHBondContact O-CG 3.25Å; V225-L229 PolarHBondContact O-N 2.73Å
226	C	93.9	Very high	93.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-39.3	178.8	-70.9	0	0	0	0	113.3	L222 L223 H228 L229 M271	L222-C226 WeakPolarHBondContact O-CB 3.4Å; L222-C226 PolarHBondContact O-N 2.87Å; L222-C226 PolarHBondContact O-SG 3.21Å; L223-C226 PolarHBondContact O-N 2.8Å; C226-H228 VanDerWaalsContact C-N 3.28Å; C226-H228 PolarHBondContact O-N 3.01Å; C226-L229 HydrophobicContact CB-CD1 4.34Å; C226-L229 WeakPolarHBondContact O-CB 3.33Å; C226-L229 PolarHBondContact O-N 3.47Å; C226-M271 HydrophobicContact CB-CB 4.28Å; C226-M271 HydrophobicContact CB-CE 3.6Å; C226-M271 HydrophobicContact CB-SD 4.12Å
227	R	93.7	Very high	93.7	Very high	109 Å²	109	56.9 Å²	56.9	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-28.6	175.5	-76.3	176.7	176.7	179.6	-2.1	113.9	M1 L223 A224 V225 M271	M1-R227 HydrophobicContact CE-CB 4.02Å; M1-R227 HydrophobicContact CE-CG 4.42Å; L223-R227 WeakPolarHBondContact O-CG 3.46Å; L223-R227 PolarHBondContact O-N 3.48Å; A224-R227 PolarHBondContact O-N 3.03Å; V225-R227 VanDerWaalsContact C-N 3.29Å; V225-R227 PolarHBondContact O-N 3.33Å; R227-M271 HydrophobicContact CB-SD 4.28Å; R227-M271 HydrophobicContact CG-CE 4.18Å; R227-M271 HydrophobicContact CG-SD 3.59Å; R227-M271 VanDerWaalsContact CG-SD 3.59Å
228	H	94.4	Very high	93.8	Very high	96 Å²	96	56.5 Å²	56.5	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-99.2	-1.7	179.3	-63.9	89.3	0	0	0	113.1	A224 V225 C226 E230 Q231 F232	A224-H228 PolarHBondContact O-N 3.3Å; A224-H228 PolarHBondContact O-ND1 3.3Å; V225-H228 CarbonylContact O-C 3.57Å; V225-H228 PolarHBondContact O-N 2.92Å; C226-H228 VanDerWaalsContact C-N 3.28Å; C226-H228 PolarHBondContact O-N 3.01Å; H228-E230 VanDerWaalsContact C-N 3.28Å; H228-E230 PolarHBondContact O-N 3.02Å; H228-Q231 PolarHBondContact O-N 2.96Å; H228-Q231 VanDerWaalsContact O-N 3.17Å; H228-F232 PolarHBondContact O-N 2.8Å
229	L	93.4	Very high	94.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-38.5	-176.8	-81.4	177.7	0	0	0	112.5	L164 V225 C226 Q231 F232 C233 L272 V275	L164-L229 HydrophobicContact CD2-CD2 3.36Å; V225-L229 HydrophobicContact CG1-CD2 4.1Å; V225-L229 HydrophobicContact CG1-CG 4.41Å; V225-L229 WeakPolarHBondContact O-CG 3.25Å; V225-L229 PolarHBondContact O-N 2.73Å; C226-L229 HydrophobicContact CB-CD1 4.34Å; C226-L229 WeakPolarHBondContact O-CB 3.33Å; C226-L229 PolarHBondContact O-N 3.47Å; L229-Q231 PolarHBondContact O-N 3.45Å; L229-F232 PolarHBondContact O-N 3.01Å; L229-C233 WeakPolarHBondContact O-CB 3.33Å; L229-C233 PolarHBondContact O-N 3.18Å; L229-C233 PolarHBondContact O-SG 3.33Å; L229-L272 HydrophobicContact CD1-CD2 3.54Å; L229-V275 HydrophobicContact CB-CG2 3.83Å
230	E	90.9	Very high	94.4	Very high	38 Å²	38	55 Å²	55	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-47	177.9	-67.9	-175.2	-175.7	0	0	111.7	H228 F232 C233 D234 C274 V275	H228-E230 VanDerWaalsContact C-N 3.28Å; H228-E230 PolarHBondContact O-N 3.02Å; E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 2.83Å; E230-C233 PolarHBondContact O-N 2.94Å; E230-D234 VanDerWaalsContact O-CG 3.28Å; E230-D234 PolarHBondContact O-N 3.49Å; E230-C274 PolarHBondContact OE1-SG 2.85Å; E230-V275 HydrophobicContact CG-CG2 3.73Å
231	Q	93.6	Very high	94.7	Very high	94 Å²	94	49.6 Å²	49.6	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-39.4	176.9	-178.6	179.3	-3.1	0	0	111.7	H228 L229 D234 Q235	H228-Q231 PolarHBondContact O-N 2.96Å; H228-Q231 VanDerWaalsContact O-N 3.17Å; L229-Q231 PolarHBondContact O-N 3.45Å; Q231-D234 PolarHBondContact O-N 3.41Å; Q231-Q235 PolarHBondContact O-N 2.69Å
232	F	94.9	Very high	94.8	Very high	47 Å²	47	45.7 Å²	45.7	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-44.9	174.9	-177.7	-102	0	0	0	111.3	L164 H212 H228 L229 E230 D234 Q235 H236 I239	L164-F232 HydrophobicContact CD1-CE1 3.92Å; L164-F232 HydrophobicContact CD1-CZ 4.28Å; L164-F232 HydrophobicContact CD2-CD1 4.03Å; L164-F232 HydrophobicContact CD2-CE1 3.9Å; L164-F232 HydrophobicContact CG-CE1 4.35Å; H212-F232 HydrophobicContact CB-CZ 4.09Å; H228-F232 PolarHBondContact O-N 2.8Å; L229-F232 PolarHBondContact O-N 3.01Å; E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 2.83Å; F232-D234 VanDerWaalsContact C-N 3.3Å; F232-D234 PolarHBondContact O-N 3.06Å; F232-Q235 PolarHBondContact O-N 3.1Å; F232-Q235 VanDerWaalsContact O-N 3.16Å; F232-H236 AromaticContact CD2-CD2 3.68Å; F232-H236 AromaticContact CE1-CD2 3.92Å; F232-H236 AromaticContact CE2-CD2 3.34Å; F232-H236 WeakPolarHBondContact CE2-CD2 3.36Å; F232-H236 AromaticContact CE2-NE2 3.51Å; F232-H236 AromaticContact CZ-CD2 3.47Å; F232-H236 VanDerWaalsContact CZ-CD2 3.47Å; F232-H236 WeakPolarHBondContact CZ-CD2 3.27Å; F232-H236 AromaticContact CZ-NE2 3.85Å; F232-H236 WeakPolarHBondContact O-CB 3.47Å; F232-H236 PolarHBondContact O-CD2 2.99Å; F232-H236 VanDerWaalsContact O-CD2 3.3Å; F232-H236 PolarHBondContact O-N 3.08Å; F232-I239 HydrophobicContact CD1-CD1 3.67Å; F232-I239 HydrophobicContact CE1-CD1 3.29Å; F232-I239 HydrophobicContact CZ-CD1 4.31Å
233	C	93.2	Very high	95	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-70.4	-24.3	178.2	-67.7	0	0	0	0	113.3	L229 E230 Q235 H236 P237 Q279	L229-C233 WeakPolarHBondContact O-CB 3.33Å; L229-C233 PolarHBondContact O-N 3.18Å; L229-C233 PolarHBondContact O-SG 3.33Å; E230-C233 PolarHBondContact O-N 2.94Å; C233-Q235 VanDerWaalsContact C-N 3.34Å; C233-H236 CarbonylContact O-C 3.49Å; C233-H236 PolarHBondContact O-N 3.17Å; C233-P237 WeakPolarHBondContact O-CA 3.3Å; C233-Q279 HydrophobicContact CB-CG 3.69Å; C233-Q279 VanDerWaalsContact CB-NE2 3.32Å; C233-Q279 PolarHBondContact O-NE2 2.98Å; C233-Q279 VanDerWaalsContact O-NE2 3.08Å
234	D	93.3	Very high	95.2	Very high	70 Å²	70	44.9 Å²	44.9	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-36.6	169.7	-71	-20.5	0	0	0	111.5	E230 Q231 F232 R278	E230-D234 VanDerWaalsContact O-CG 3.28Å; E230-D234 PolarHBondContact O-N 3.49Å; Q231-D234 PolarHBondContact O-N 3.41Å; F232-D234 VanDerWaalsContact C-N 3.3Å; F232-D234 PolarHBondContact O-N 3.06Å; D234-R278 IonicContact OD1-CZ 3.74Å; D234-R278 IonicContact OD1-NE 2.7Å; D234-R278 IonicContact OD1-NH2 3.59Å; D234-R278 PolarHBondContact OD1-NH2 2.88Å; D234-R278 IonicContact OD2-NH2 3.53Å; D234-R278 PolarHBondContact OD2-NH2 3.19Å
235	Q	95.2	Very high	95.3	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.603	20%	0.204	S	C	*	.	H	α-helix	trans	-77.9	-25.5	174.2	-64.9	174	-1.8	0	0	112.7	Q231 F232 C233 P237	Q231-Q235 PolarHBondContact O-N 2.69Å; F232-Q235 PolarHBondContact O-N 3.1Å; F232-Q235 VanDerWaalsContact O-N 3.16Å; C233-Q235 VanDerWaalsContact C-N 3.34Å; Q235-P237 VanDerWaalsContact C-CD 3.46Å; Q235-P237 WeakPolarHBondContact O-CD 3.32Å
236	H	95.5	Very high	95.1	Very high	53 Å²	53	41.5 Å²	41.5	25%	0.245	20%	0.197	C	C	.	.			trans	-122.5	70.5	-179.4	-62.7	-74.9	0	0	0	111.4	H212 F232 C233 L238 I239	H212-H236 AromaticContact CE1-CE1 3.65Å; H212-H236 AromaticContact CE1-ND1 3.57Å; H212-H236 AromaticContact NE2-ND1 3.84Å; F232-H236 AromaticContact CD2-CD2 3.68Å; F232-H236 AromaticContact CE1-CD2 3.92Å; F232-H236 AromaticContact CE2-CD2 3.34Å; F232-H236 WeakPolarHBondContact CE2-CD2 3.36Å; F232-H236 AromaticContact CE2-NE2 3.51Å; F232-H236 AromaticContact CZ-CD2 3.47Å; F232-H236 VanDerWaalsContact CZ-CD2 3.47Å; F232-H236 WeakPolarHBondContact CZ-CD2 3.27Å; F232-H236 AromaticContact CZ-NE2 3.85Å; F232-H236 WeakPolarHBondContact O-CB 3.47Å; F232-H236 PolarHBondContact O-CD2 2.99Å; F232-H236 VanDerWaalsContact O-CD2 3.3Å; F232-H236 PolarHBondContact O-N 3.08Å; C233-H236 CarbonylContact O-C 3.49Å; C233-H236 PolarHBondContact O-N 3.17Å; H236-L238 PolarHBondContact O-N 2.86Å; H236-I239 HydrophobicContact CB-CD1 3.49Å; H236-I239 VanDerWaalsContact CB-CD1 3.49Å; H236-I239 HydrophobicContact CB-CG1 3.89Å; H236-I239 WeakPolarHBondContact O-CG1 3.5Å; H236-I239 PolarHBondContact O-N 3.42Å; H236-I239 VanDerWaalsContact O-N 3.13Å
237	P	94.4	Very high	95.1	Very high	75 Å²	75	41.4 Å²	41.4	49%	0.487	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.1	-172.3	27.8	-37.1	0	0	0	114.4	C233 Q235 R240	C233-P237 WeakPolarHBondContact O-CA 3.3Å; Q235-P237 VanDerWaalsContact C-CD 3.46Å; Q235-P237 WeakPolarHBondContact O-CD 3.32Å; P237-R240 VanDerWaalsContact O-CZ 3.31Å; P237-R240 PolarHBondContact O-NH1 2.79Å; P237-R240 PolarHBondContact O-NH2 3.4Å
238	L	95.8	Very high	94.9	Very high	88 Å²	88	36.2 Å²	36.2	46%	0.461	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.2	177.3	-64	179.6	0	0	0	113.1	G161 Q162 H236 R240	G161-L238 CarbonylContact C-O 3.58Å; G161-L238 WeakPolarHBondContact CA-O 3.36Å; Q162-L238 HydrophobicContact CB-CB 4.37Å; Q162-L238 HydrophobicContact CG-CB 3.98Å; Q162-L238 PolarHBondContact N-O 2.83Å; H236-L238 PolarHBondContact O-N 2.86Å; L238-R240 PolarHBondContact O-N 3.06Å; L238-R240 VanDerWaalsContact O-N 3.13Å
239	I	97.1	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	119.2	-179.7	-67.9	171.9	0	0	0	110.1	Q162 L164 F232 H236 I242	Q162-I239 HydrophobicContact CB-CG1 4.4Å; Q162-I239 WeakPolarHBondContact O-CA 3.45Å; L164-I239 HydrophobicContact CB-CD1 4.5Å; F232-I239 HydrophobicContact CD1-CD1 3.67Å; F232-I239 HydrophobicContact CE1-CD1 3.29Å; F232-I239 HydrophobicContact CZ-CD1 4.31Å; H236-I239 HydrophobicContact CB-CD1 3.49Å; H236-I239 VanDerWaalsContact CB-CD1 3.49Å; H236-I239 HydrophobicContact CB-CG1 3.89Å; H236-I239 WeakPolarHBondContact O-CG1 3.5Å; H236-I239 PolarHBondContact O-N 3.42Å; H236-I239 VanDerWaalsContact O-N 3.13Å; I239-I242 HydrophobicContact CG2-CG1 4.05Å
240	R	97	Very high	94.6	Very high	67 Å²	67	34.4 Å²	34.4	25%	0.253	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	1.3	176.1	-62.2	-65.3	174.3	-98.4	-4.9	112.8	V150 L159 Q162 P237 L238 Q279 A281 A282	V150-R240 HydrophobicContact CG2-CB 3.65Å; L159-R240 HydrophobicContact CB-CB 4.36Å; L159-R240 HydrophobicContact CB-CG 4.4Å; L159-R240 HydrophobicContact CD1-CB 3.98Å; Q162-R240 PolarHBondContact O-N 2.81Å; P237-R240 VanDerWaalsContact O-CZ 3.31Å; P237-R240 PolarHBondContact O-NH1 2.79Å; P237-R240 PolarHBondContact O-NH2 3.4Å; L238-R240 PolarHBondContact O-N 3.06Å; L238-R240 VanDerWaalsContact O-N 3.13Å; R240-Q279 WeakPolarHBondContact CD-O 3.44Å; R240-Q279 PolarHBondContact NE-O 3.27Å; R240-Q279 PolarHBondContact NH1-O 2.85Å; R240-A281 CarbonylContact O-C 3.52Å; R240-A281 VanDerWaalsContact O-CA 3.23Å; R240-A281 WeakPolarHBondContact O-CA 3.43Å; R240-A282 PolarHBondContact O-N 2.99Å
241	L	98.2	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134	173.5	176.4	65.5	0	0	0	110.8	I108 A146 C147 V150 Q162 A163 L164 V243 A282 I284	I108-L241 HydrophobicContact CD1-CB 3.83Å; I108-L241 HydrophobicContact CD1-CD1 3.85Å; I108-L241 HydrophobicContact CD1-CD2 4.38Å; I108-L241 HydrophobicContact CD1-CG 4.23Å; A146-L241 HydrophobicContact CB-CD2 3.75Å; A146-L241 WeakPolarHBondContact O-CD2 3.44Å; C147-L241 HydrophobicContact CB-CD2 4.49Å; V150-L241 HydrophobicContact CB-CB 4.06Å; V150-L241 HydrophobicContact CB-CD2 4.38Å; V150-L241 HydrophobicContact CG1-CB 4.06Å; V150-L241 HydrophobicContact CG1-CD2 4.22Å; V150-L241 HydrophobicContact CG2-CB 3.88Å; Q162-L241 PolarHBondContact O-N 3.25Å; A163-L241 CarbonylContact C-O 3.57Å; A163-L241 WeakPolarHBondContact CA-O 3.31Å; A163-L241 HydrophobicContact CB-CB 4.27Å; A163-L241 HydrophobicContact CB-CD2 4.11Å; A163-L241 HydrophobicContact CB-CG 4.46Å; L164-L241 PolarHBondContact N-O 2.69Å; L241-V243 HydrophobicContact CD1-CG2 4.18Å; L241-V243 HydrophobicContact CD2-CG2 4.07Å; L241-V243 HydrophobicContact CG-CG2 4.03Å; L241-A282 CarbonylContact C-O 3.54Å; L241-A282 WeakPolarHBondContact CA-O 3.28Å; L241-A282 HydrophobicContact CD1-CB 4.13Å; L241-I284 HydrophobicContact CD1-CD1 3.73Å; L241-I284 HydrophobicContact CD1-CG1 3.88Å
242	I	98.2	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.1	168.3	-56.2	173.6	0	0	0	108.2	L164 I239 L272 V275 A282 V283 I284	L164-I242 HydrophobicContact CB-CG1 4.39Å; L164-I242 HydrophobicContact CD2-CG2 4.37Å; L164-I242 CarbonylContact O-C 3.56Å; L164-I242 WeakPolarHBondContact O-CA 3.23Å; I239-I242 HydrophobicContact CG2-CG1 4.05Å; I242-L272 HydrophobicContact CG2-CD2 4.13Å; I242-V275 HydrophobicContact CD1-CB 4.4Å; I242-V275 HydrophobicContact CD1-CG1 3.52Å; I242-A282 PolarHBondContact N-O 2.86Å; I242-V283 HydrophobicContact CB-CG2 4.29Å; I242-V283 CarbonylContact O-C 3.54Å; I242-V283 VanDerWaalsContact O-CA 3.26Å; I242-V283 WeakPolarHBondContact O-CA 3.39Å; I242-I284 PolarHBondContact O-N 3.38Å
243	V	98.4	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.4	176.6	175.9	0	0	0	0	109.4	C143 L164 F165 L166 L241 D245 I284	C143-V243 HydrophobicContact CB-CG1 3.73Å; C143-V243 HydrophobicContact CB-CG2 4.39Å; L164-V243 PolarHBondContact O-N 2.77Å; F165-V243 HydrophobicContact CD2-CB 3.89Å; F165-V243 HydrophobicContact CD2-CG1 3.84Å; F165-V243 HydrophobicContact CD2-CG2 4.28Å; F165-V243 HydrophobicContact CE2-CB 4.24Å; F165-V243 HydrophobicContact CE2-CG1 3.67Å; F165-V243 HydrophobicContact CG-CB 4.32Å; F165-V243 HydrophobicContact CG-CG1 4.4Å; F165-V243 HydrophobicContact CZ-CG1 4.05Å; L166-V243 WeakPolarHBondContact CB-O 3.34Å; L166-V243 PolarHBondContact N-O 2.85Å; L241-V243 HydrophobicContact CD1-CG2 4.18Å; L241-V243 HydrophobicContact CD2-CG2 4.07Å; L241-V243 HydrophobicContact CG-CG2 4.03Å; V243-D245 HydrophobicContact CG1-CB 4.11Å; V243-I284 CarbonylContact C-O 3.47Å; V243-I284 WeakPolarHBondContact CA-O 3.07Å; V243-I284 HydrophobicContact CG2-CB 4.33Å
244	V	97.6	Very high	92.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	103.3	166	-168.9	0	0	0	0	108.8	L166 T168 L222 I247 L272 I284 L285 T286	L166-V244 HydrophobicContact CB-CG2 4.42Å; L166-V244 HydrophobicContact CD1-CG2 4.13Å; T168-V244 HydrophobicContact CG2-CG1 4.25Å; L222-V244 HydrophobicContact CD1-CG1 4.27Å; V244-I247 HydrophobicContact CG1-CB 4.34Å; V244-I247 HydrophobicContact CG1-CD1 4.19Å; V244-L272 HydrophobicContact CG2-CD1 4.08Å; V244-L272 HydrophobicContact CG2-CD2 4.47Å; V244-I284 PolarHBondContact N-O 2.8Å; V244-L285 HydrophobicContact CB-CD2 3.61Å; V244-L285 HydrophobicContact CG2-CD2 3.54Å; V244-T286 PolarHBondContact O-N 3.32Å
245	D	96.2	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	96.2	-177.2	-167.6	17.4	0	0	0	110.1	T140 F165 L166 T168 E169 V243 T286	T140-D245 WeakPolarHBondContact CA-OD2 3.41Å; T140-D245 VanDerWaalsContact CB-OD2 3.23Å; T140-D245 WeakPolarHBondContact CB-OD2 3.43Å; T140-D245 VanDerWaalsContact CG2-OD2 3.25Å; T140-D245 WeakPolarHBondContact CG2-OD2 3.31Å; T140-D245 PolarHBondContact OG1-OD2 2.93Å; F165-D245 HydrophobicContact CE1-CB 3.88Å; F165-D245 HydrophobicContact CZ-CB 3.63Å; L166-D245 PolarHBondContact O-N 3.41Å; T168-D245 PolarHBondContact N-O 2.91Å; T168-D245 PolarHBondContact OG1-O 2.86Å; E169-D245 PolarHBondContact N-O 3.46Å; V243-D245 HydrophobicContact CG1-CB 4.11Å; D245-T286 WeakPolarHBondContact CA-OG1 3.02Å; D245-T286 HydrophobicContact CB-CG2 4.13Å; D245-T286 WeakPolarHBondContact OD1-CB 3.28Å; D245-T286 VanDerWaalsContact OD1-CG2 3.27Å; D245-T286 WeakPolarHBondContact OD1-CG2 3.44Å; D245-T286 PolarHBondContact OD1-OG1 2.73Å
246	S	93.1	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	cis	-112.8	151.3	-2.4	63.5	0	0	0	0	113.3	T168 E169 A248 L249 P250 T286	T168-S246 WeakPolarHBondContact CB-O 3.46Å; T168-S246 WeakPolarHBondContact CG2-O 3.27Å; T168-S246 PolarHBondContact OG1-N 3.33Å; T168-S246 PolarHBondContact OG1-O 3.44Å; E169-S246 WeakPolarHBondContact OE1-CB 3.32Å; E169-S246 PolarHBondContact OE1-OG 2.59Å; S246-A248 PolarHBondContact O-N 2.69Å; S246-L249 PolarHBondContact OG-N 2.9Å; S246-P250 WeakPolarHBondContact O-CD 3.41Å; S246-T286 WeakPolarHBondContact CA-O 3.47Å; S246-T286 WeakPolarHBondContact CA-OG1 3.4Å; S246-T286 VanDerWaalsContact CB-O 3.25Å; S246-T286 WeakPolarHBondContact CB-O 3.14Å; S246-T286 WeakPolarHBondContact CB-OG1 3.34Å
247	I	93.1	Very high	90.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-69.9	-21	175.1	-168.7	56.5	0	0	0	111.9	L222 V244 F251 L265 V268 L285 T286 L329 W333	L222-I247 HydrophobicContact CD2-CD1 3.79Å; V244-I247 HydrophobicContact CG1-CB 4.34Å; V244-I247 HydrophobicContact CG1-CD1 4.19Å; I247-F251 HydrophobicContact CD1-CE2 4.22Å; I247-F251 WeakPolarHBondContact O-CD2 3.3Å; I247-L265 HydrophobicContact CD1-CD2 4.41Å; I247-L265 HydrophobicContact CG1-CD2 4.13Å; I247-V268 HydrophobicContact CD1-CG1 3.96Å; I247-L285 HydrophobicContact CB-CB 4.44Å; I247-L285 HydrophobicContact CG2-CB 4.16Å; I247-T286 WeakPolarHBondContact CG2-O 3.33Å; I247-T286 PolarHBondContact N-O 3.43Å; I247-L329 HydrophobicContact CG2-CD1 3.91Å; I247-W333 HydrophobicContact CB-CH2 4.45Å; I247-W333 HydrophobicContact CB-CZ2 4.48Å; I247-W333 HydrophobicContact CG1-CH2 3.57Å; I247-W333 HydrophobicContact CG1-CZ2 4.06Å; I247-W333 HydrophobicContact CG1-CZ3 4.21Å; I247-W333 HydrophobicContact CG2-CH2 4.07Å; I247-W333 HydrophobicContact CG2-CZ2 3.65Å
248	A	90	Very high	89.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-75.7	-42.1	-177.6	0	0	0	0	0	113	S246 F251 R252 N287 Q288 A328 L329	S246-A248 PolarHBondContact O-N 2.69Å; A248-F251 PolarHBondContact O-N 3.15Å; A248-F251 VanDerWaalsContact O-N 3.16Å; A248-R252 WeakPolarHBondContact O-CB 3.28Å; A248-R252 PolarHBondContact O-N 3.45Å; A248-N287 VanDerWaalsContact CB-OD1 3.28Å; A248-N287 WeakPolarHBondContact CB-OD1 3.39Å; A248-Q288 HydrophobicContact CB-CB 4.41Å; A248-Q288 HydrophobicContact CB-CG 4.48Å; A248-A328 HydrophobicContact CB-CB 4.42Å; A248-L329 HydrophobicContact CB-CD2 4.45Å; A248-L329 HydrophobicContact CB-CG 4.4Å
249	L	90	Very high	89.2	Confident	49 Å²	49	44.5 Å²	44.5	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-47.9	-168.4	-170.7	78.9	0	0	0	113.4	T168 E169 S246 F251 R252 Y253	T168-L249 WeakPolarHBondContact O-CD2 3.45Å; E169-L249 HydrophobicContact CG-CD2 4.24Å; S246-L249 PolarHBondContact OG-N 2.9Å; L249-F251 PolarHBondContact O-N 3.19Å; L249-R252 PolarHBondContact O-N 2.95Å; L249-Y253 HydrophobicContact CD1-CE2 4.02Å
250	P	90	Very high	88.7	Confident	12 Å²	12	49 Å²	49	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-23.2	-178.2	-22.6	35.6	0	0	0	114	T168 H219 L222 S246	T168-P250 HydrophobicContact CG2-CG 3.72Å; H219-P250 HydrophobicContact CB-CB 3.98Å; L222-P250 HydrophobicContact CD2-CB 4.49Å; L222-P250 HydrophobicContact CD2-CG 4.12Å; S246-P250 WeakPolarHBondContact O-CD 3.41Å
251	F	88	Confident	88.3	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-103.9	0.9	-176.5	-66.2	-81.8	0	0	0	113.5	H219 L222 I247 A248 L249 F255 R261 L264 L265 V268	H219-F251 HydrophobicContact CB-CD1 4.21Å; H219-F251 HydrophobicContact CB-CE1 3.88Å; H219-F251 HydrophobicContact CB-CE2 4.49Å; H219-F251 HydrophobicContact CB-CZ 4.05Å; L222-F251 HydrophobicContact CD2-CE2 3.86Å; I247-F251 HydrophobicContact CD1-CE2 4.22Å; I247-F251 WeakPolarHBondContact O-CD2 3.3Å; A248-F251 PolarHBondContact O-N 3.15Å; A248-F251 VanDerWaalsContact O-N 3.16Å; L249-F251 PolarHBondContact O-N 3.19Å; F251-F255 HydrophobicContact CB-CE2 4.29Å; F251-F255 HydrophobicContact CD1-CD2 4.49Å; F251-F255 AromaticContact CD1-CE2 3.67Å; F251-F255 HydrophobicContact CD1-CE2 3.67Å; F251-F255 AromaticContact CD1-CZ 3.68Å; F251-F255 HydrophobicContact CD1-CZ 3.68Å; F251-F255 HydrophobicContact CE1-CE2 4.45Å; F251-F255 HydrophobicContact CE1-CZ 4.08Å; F251-F255 HydrophobicContact CG-CE2 4.33Å; F251-R261 HydrophobicContact CB-CG 4.11Å; F251-R261 HydrophobicContact CD1-CG 4.1Å; F251-R261 VanDerWaalsContact O-CD 3.3Å; F251-R261 WeakPolarHBondContact O-CD 3.38Å; F251-L264 HydrophobicContact CE1-CB 3.67Å; F251-L264 HydrophobicContact CE1-CD1 4.42Å; F251-L264 HydrophobicContact CZ-CB 4.36Å; F251-L265 HydrophobicContact CB-CD1 4.37Å; F251-L265 HydrophobicContact CB-CD2 4.17Å; F251-L265 HydrophobicContact CB-CG 4.33Å; F251-L265 HydrophobicContact CD1-CD2 4.17Å; F251-L265 HydrophobicContact CD1-CG 3.96Å; F251-L265 HydrophobicContact CD2-CD2 3.33Å; F251-L265 HydrophobicContact CD2-CG 4.04Å; F251-L265 HydrophobicContact CE1-CD2 4.42Å; F251-L265 HydrophobicContact CE1-CG 4.24Å; F251-L265 HydrophobicContact CE2-CD2 3.59Å; F251-L265 HydrophobicContact CE2-CG 4.28Å; F251-L265 HydrophobicContact CG-CD1 4.4Å; F251-L265 HydrophobicContact CG-CD2 3.62Å; F251-L265 HydrophobicContact CG-CG 3.84Å; F251-L265 HydrophobicContact CZ-CD2 4.15Å; F251-L265 HydrophobicContact CZ-CG 4.39Å; F251-V268 HydrophobicContact CZ-CG2 4.12Å
252	R	81.7	Confident	87.7	Confident	115 Å²	115	49.6 Å²	49.6	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-81.5	-35.6	-177.6	-176	174	-178.7	169.3	-0.1	112.4	A248 L249	A248-R252 WeakPolarHBondContact O-CB 3.28Å; A248-R252 PolarHBondContact O-N 3.45Å; L249-R252 PolarHBondContact O-N 2.95Å
253	Y	76.1	Confident	87.2	Confident	127 Å²	127	55.6 Å²	55.6	50%	0.498	27%	0.267	S	S	.	.	S	Bend	trans	-111.1	155.8	-177.7	-51.8	-74.6	0	0	0	109.3	L249 F255	L249-Y253 HydrophobicContact CD1-CE2 4.02Å; Y253-F255 VanDerWaalsContact O-CD2 3.28Å; Y253-F255 WeakPolarHBondContact O-CD2 3.42Å; Y253-F255 PolarHBondContact O-N 3.05Å
254	D	75.5	Confident	86.8	Confident	149 Å²	149	57.4 Å²	57.4	80%	0.797	28%	0.276	S	S	*	.	S	Bend	trans	68.6	25.7	173.9	-46.1	-32.9	0	0	0	116.8
255	F	79.6	Confident	86.4	Confident	29 Å²	29	57.5 Å²	57.5	13%	0.127	28%	0.277	C	S	.	.			trans	-123	94.3	175	-75.1	-78.6	0	0	0	112.9	H219 F251 Y253 R261 L264	H219-F255 HydrophobicContact CB-CE2 4.28Å; H219-F255 HydrophobicContact CB-CZ 4.18Å; H219-F255 AromaticContact CD2-CZ 3.67Å; H219-F255 AromaticContact CE1-CZ 3.81Å; H219-F255 AromaticContact CG-CE2 3.88Å; H219-F255 AromaticContact CG-CZ 3.59Å; H219-F255 AromaticContact ND1-CE2 3.67Å; H219-F255 AromaticContact ND1-CZ 3.68Å; H219-F255 AromaticContact NE2-CZ 3.82Å; F251-F255 HydrophobicContact CB-CE2 4.29Å; F251-F255 HydrophobicContact CD1-CD2 4.49Å; F251-F255 AromaticContact CD1-CE2 3.67Å; F251-F255 HydrophobicContact CD1-CE2 3.67Å; F251-F255 AromaticContact CD1-CZ 3.68Å; F251-F255 HydrophobicContact CD1-CZ 3.68Å; F251-F255 HydrophobicContact CE1-CE2 4.45Å; F251-F255 HydrophobicContact CE1-CZ 4.08Å; F251-F255 HydrophobicContact CG-CE2 4.33Å; Y253-F255 VanDerWaalsContact O-CD2 3.28Å; Y253-F255 WeakPolarHBondContact O-CD2 3.42Å; Y253-F255 PolarHBondContact O-N 3.05Å; F255-R261 HydrophobicContact CB-CB 3.99Å; F255-R261 HydrophobicContact CB-CG 4.11Å; F255-R261 HydrophobicContact CD1-CB 3.58Å; F255-R261 HydrophobicContact CD1-CG 3.98Å; F255-R261 HydrophobicContact CD2-CB 4.47Å; F255-R261 HydrophobicContact CD2-CG 3.98Å; F255-R261 HydrophobicContact CE1-CB 4.2Å; F255-R261 HydrophobicContact CE1-CG 4.43Å; F255-R261 HydrophobicContact CE2-CG 4.44Å; F255-R261 HydrophobicContact CG-CB 3.74Å; F255-R261 HydrophobicContact CG-CG 3.72Å; F255-L264 HydrophobicContact CE1-CD1 3.65Å; F255-L264 HydrophobicContact CZ-CD1 3.95Å
256	D	77.8	Confident	86.1	Confident	170 Å²	170	59.4 Å²	59.4	91%	0.909	29%	0.292	S	S	*	.	S	Bend	trans	-74.2	-38.6	168.8	-64.2	-34.1	0	0	0	111.4	I258	D256-I258 PolarHBondContact O-N 3.11Å
257	D	85.5	Confident	85.9	Confident	66 Å²	66	60.8 Å²	60.8	35%	0.353	30%	0.302	S	S	.	.			trans	-87.8	91.6	176.5	-176	-1.1	0	0	0	111	P259 Q260 R261 R263	D257-P259 VanDerWaalsContact OD1-CB 3.27Å; D257-P259 WeakPolarHBondContact OD1-CB 3.49Å; D257-P259 WeakPolarHBondContact OD1-CD 3.45Å; D257-P259 VanDerWaalsContact OD1-CG 3.31Å; D257-P259 WeakPolarHBondContact OD1-CG 3.39Å; D257-Q260 HydrophobicContact CB-CB 3.84Å; D257-Q260 WeakPolarHBondContact O-CB 3.46Å; D257-Q260 PolarHBondContact O-N 3.16Å; D257-Q260 VanDerWaalsContact O-N 3.08Å; D257-Q260 PolarHBondContact OD1-N 2.99Å; D257-Q260 VanDerWaalsContact OD1-N 3.13Å; D257-Q260 WeakPolarHBondContact OD2-CB 3.5Å; D257-R261 PolarHBondContact O-N 2.78Å; D257-R263 IonicContact OD2-NH2 3.29Å
258	I	85.3	Confident	85.8	Confident	76 Å²	76	60.8 Å²	60.8	39%	0.39	30%	0.302	S	S	.	.	H	α-helix	trans	-55.8	-44.8	176.1	-57.9	-61.1	0	0	0	112.6	D256 Q260 R261 N262	D256-I258 PolarHBondContact O-N 3.11Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.93Å; I258-R261 WeakPolarHBondContact O-CB 3.37Å; I258-R261 PolarHBondContact O-N 2.78Å; I258-N262 VanDerWaalsContact O-CG 3.28Å; I258-N262 PolarHBondContact O-N 3Å
259	P	85.6	Confident	85.9	Confident	72 Å²	72	61 Å²	61	47%	0.468	30%	0.304	S	S	.	.	H	α-helix	trans	-52.4	-45	169.3	-27.6	28.1	0	0	0	114.7	D257 N262 R263	D257-P259 VanDerWaalsContact OD1-CB 3.27Å; D257-P259 WeakPolarHBondContact OD1-CB 3.49Å; D257-P259 WeakPolarHBondContact OD1-CD 3.45Å; D257-P259 VanDerWaalsContact OD1-CG 3.31Å; D257-P259 WeakPolarHBondContact OD1-CG 3.39Å; P259-N262 PolarHBondContact O-N 2.92Å; P259-R263 WeakPolarHBondContact O-CG 3.42Å; P259-R263 PolarHBondContact O-N 3.02Å; P259-R263 PolarHBondContact O-NH1 2.98Å
260	Q	86.5	Confident	85.9	Confident	93 Å²	93	65 Å²	65	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-46.7	176.9	-178.9	-179.9	13.2	0	0	111.4	D257 I258 N262 R263 L264	D257-Q260 HydrophobicContact CB-CB 3.84Å; D257-Q260 WeakPolarHBondContact O-CB 3.46Å; D257-Q260 PolarHBondContact O-N 3.16Å; D257-Q260 VanDerWaalsContact O-N 3.08Å; D257-Q260 PolarHBondContact OD1-N 2.99Å; D257-Q260 VanDerWaalsContact OD1-N 3.13Å; D257-Q260 WeakPolarHBondContact OD2-CB 3.5Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.93Å; Q260-N262 VanDerWaalsContact C-N 3.28Å; Q260-N262 PolarHBondContact O-N 3.32Å; Q260-R263 PolarHBondContact O-N 3.09Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; Q260-L264 HydrophobicContact CG-CD1 4.27Å; Q260-L264 WeakPolarHBondContact O-CG 3.4Å; Q260-L264 PolarHBondContact O-N 2.99Å
261	R	88.2	Confident	86	Confident	39 Å²	39	66.2 Å²	66.2	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-52.5	-47.7	174.6	-172.8	-162	69.1	-178.7	5.2	111.6	F251 F255 D257 I258 R263 L264 L265	F251-R261 HydrophobicContact CB-CG 4.11Å; F251-R261 HydrophobicContact CD1-CG 4.1Å; F251-R261 VanDerWaalsContact O-CD 3.3Å; F251-R261 WeakPolarHBondContact O-CD 3.38Å; F255-R261 HydrophobicContact CB-CB 3.99Å; F255-R261 HydrophobicContact CB-CG 4.11Å; F255-R261 HydrophobicContact CD1-CB 3.58Å; F255-R261 HydrophobicContact CD1-CG 3.98Å; F255-R261 HydrophobicContact CD2-CB 4.47Å; F255-R261 HydrophobicContact CD2-CG 3.98Å; F255-R261 HydrophobicContact CE1-CB 4.2Å; F255-R261 HydrophobicContact CE1-CG 4.43Å; F255-R261 HydrophobicContact CE2-CG 4.44Å; F255-R261 HydrophobicContact CG-CB 3.74Å; F255-R261 HydrophobicContact CG-CG 3.72Å; D257-R261 PolarHBondContact O-N 2.78Å; I258-R261 WeakPolarHBondContact O-CB 3.37Å; I258-R261 PolarHBondContact O-N 2.78Å; R261-R263 PolarHBondContact O-N 3.23Å; R261-L264 PolarHBondContact O-N 3.44Å; R261-L265 HydrophobicContact CG-CD1 4.26Å; R261-L265 PolarHBondContact O-N 2.8Å
262	N	86.2	Confident	86.3	Confident	42 Å²	42	66.1 Å²	66.1	23%	0.225	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-37.7	-179.5	-69.7	-10.1	0	0	0	112.4	I258 P259 Q260 A266 S332	I258-N262 VanDerWaalsContact O-CG 3.28Å; I258-N262 PolarHBondContact O-N 3Å; P259-N262 PolarHBondContact O-N 2.92Å; Q260-N262 VanDerWaalsContact C-N 3.28Å; Q260-N262 PolarHBondContact O-N 3.32Å; N262-A266 WeakPolarHBondContact O-CB 3.23Å; N262-A266 PolarHBondContact O-N 3.27Å; N262-S332 PolarHBondContact ND2-OG 3.02Å
263	R	87.3	Confident	86.8	Confident	125 Å²	125	64.7 Å²	64.7	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174.6	-72.7	-170.4	-63.2	-81.7	3	111.9	D257 P259 Q260 R261 A266 S267	D257-R263 IonicContact OD2-NH2 3.29Å; P259-R263 WeakPolarHBondContact O-CG 3.42Å; P259-R263 PolarHBondContact O-N 3.02Å; P259-R263 PolarHBondContact O-NH1 2.98Å; Q260-R263 PolarHBondContact O-N 3.09Å; Q260-R263 VanDerWaalsContact O-N 3.14Å; R261-R263 PolarHBondContact O-N 3.23Å; R263-A266 PolarHBondContact O-N 3.19Å; R263-S267 PolarHBondContact O-N 2.98Å
264	L	89.6	Confident	87.4	Confident	38 Å²	38	61.5 Å²	61.5	20%	0.199	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-43	177.6	-66.8	173.5	0	0	0	111.9	L223 F251 F255 Q260 R261 A266 S267 V268	L223-L264 HydrophobicContact CD2-CD2 4.35Å; F251-L264 HydrophobicContact CE1-CB 3.67Å; F251-L264 HydrophobicContact CE1-CD1 4.42Å; F251-L264 HydrophobicContact CZ-CB 4.36Å; F255-L264 HydrophobicContact CE1-CD1 3.65Å; F255-L264 HydrophobicContact CZ-CD1 3.95Å; Q260-L264 HydrophobicContact CG-CD1 4.27Å; Q260-L264 WeakPolarHBondContact O-CG 3.4Å; Q260-L264 PolarHBondContact O-N 2.99Å; R261-L264 PolarHBondContact O-N 3.44Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.36Å; L264-S267 WeakPolarHBondContact O-CB 3.34Å; L264-S267 PolarHBondContact O-N 3.26Å; L264-V268 WeakPolarHBondContact O-CG2 3.14Å; L264-V268 PolarHBondContact O-N 3.42Å
265	L	89.9	Confident	88.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-42.2	173.6	-79.7	167.1	0	0	0	112.1	I247 F251 R261 T269 L329 W333	I247-L265 HydrophobicContact CD1-CD2 4.41Å; I247-L265 HydrophobicContact CG1-CD2 4.13Å; F251-L265 HydrophobicContact CB-CD1 4.37Å; F251-L265 HydrophobicContact CB-CD2 4.17Å; F251-L265 HydrophobicContact CB-CG 4.33Å; F251-L265 HydrophobicContact CD1-CD2 4.17Å; F251-L265 HydrophobicContact CD1-CG 3.96Å; F251-L265 HydrophobicContact CD2-CD2 3.33Å; F251-L265 HydrophobicContact CD2-CG 4.04Å; F251-L265 HydrophobicContact CE1-CD2 4.42Å; F251-L265 HydrophobicContact CE1-CG 4.24Å; F251-L265 HydrophobicContact CE2-CD2 3.59Å; F251-L265 HydrophobicContact CE2-CG 4.28Å; F251-L265 HydrophobicContact CG-CD1 4.4Å; F251-L265 HydrophobicContact CG-CD2 3.62Å; F251-L265 HydrophobicContact CG-CG 3.84Å; F251-L265 HydrophobicContact CZ-CD2 4.15Å; F251-L265 HydrophobicContact CZ-CG 4.39Å; R261-L265 HydrophobicContact CG-CD1 4.26Å; R261-L265 PolarHBondContact O-N 2.8Å; L265-T269 WeakPolarHBondContact O-CB 3.36Å; L265-T269 PolarHBondContact O-N 2.94Å; L265-T269 PolarHBondContact O-OG1 3.15Å; L265-L329 HydrophobicContact CD1-CD1 4.36Å; L265-L329 HydrophobicContact CD1-CD2 3.89Å; L265-L329 HydrophobicContact CD2-CD1 4.1Å; L265-W333 HydrophobicContact CB-CE3 4.13Å; L265-W333 HydrophobicContact CB-CZ3 4.02Å; L265-W333 HydrophobicContact CD1-CE3 4.38Å; L265-W333 HydrophobicContact CD2-CE3 4.1Å; L265-W333 HydrophobicContact CD2-CZ3 3.77Å; L265-W333 HydrophobicContact CG-CE3 4.45Å; L265-W333 HydrophobicContact CG-CZ3 4.41Å
266	A	88.4	Confident	88.7	Confident	40 Å²	40	53.1 Å²	53.1	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-44	175.3	0	0	0	0	0	111.7	N262 R263 L264 T269 Q270 I336	N262-A266 WeakPolarHBondContact O-CB 3.23Å; N262-A266 PolarHBondContact O-N 3.27Å; R263-A266 PolarHBondContact O-N 3.19Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 3.36Å; A266-T269 PolarHBondContact O-N 3.47Å; A266-Q270 WeakPolarHBondContact O-CB 3.32Å; A266-Q270 PolarHBondContact O-N 2.81Å; A266-I336 HydrophobicContact CB-CD1 4.24Å
267	S	89.7	Confident	89.2	Confident	29 Å²	29	47.2 Å²	47.2	20%	0.203	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-47.9	176.5	-179.2	0	0	0	0	112.2	R263 L264 T269 Q270 M271	R263-S267 PolarHBondContact O-N 2.98Å; L264-S267 WeakPolarHBondContact O-CB 3.34Å; L264-S267 PolarHBondContact O-N 3.26Å; S267-T269 VanDerWaalsContact C-N 3.32Å; S267-T269 PolarHBondContact O-N 3.38Å; S267-Q270 PolarHBondContact O-N 3.36Å; S267-M271 WeakPolarHBondContact O-CG 3.28Å; S267-M271 PolarHBondContact O-N 3.11Å
268	V	91.5	Very high	89.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-46.6	175.3	167.6	0	0	0	0	111.1	L222 L223 I247 F251 L264 Q270 M271 L272	L222-V268 HydrophobicContact CD2-CG1 4.47Å; L222-V268 HydrophobicContact CG-CG1 4.49Å; L223-V268 HydrophobicContact CD1-CG2 3.85Å; I247-V268 HydrophobicContact CD1-CG1 3.96Å; F251-V268 HydrophobicContact CZ-CG2 4.12Å; L264-V268 WeakPolarHBondContact O-CG2 3.14Å; L264-V268 PolarHBondContact O-N 3.42Å; V268-Q270 PolarHBondContact O-N 2.89Å; V268-M271 HydrophobicContact CG2-CE 4.44Å; V268-M271 PolarHBondContact O-N 3.33Å; V268-L272 HydrophobicContact CG1-CD1 3.88Å; V268-L272 WeakPolarHBondContact O-CG 3.41Å; V268-L272 PolarHBondContact O-N 3.34Å
269	T	91.4	Very high	89.4	Confident	5 Å²	5	47 Å²	47	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-40.2	-179.2	-54.7	0	0	0	0	112.2	L128 L265 A266 S267 L272 L273 W333 I336	L128-T269 HydrophobicContact CD2-CG2 3.59Å; L265-T269 WeakPolarHBondContact O-CB 3.36Å; L265-T269 PolarHBondContact O-N 2.94Å; L265-T269 PolarHBondContact O-OG1 3.15Å; A266-T269 PolarHBondContact O-N 3.47Å; S267-T269 VanDerWaalsContact C-N 3.32Å; S267-T269 PolarHBondContact O-N 3.38Å; T269-L272 PolarHBondContact O-N 2.86Å; T269-L273 WeakPolarHBondContact O-CB 3.27Å; T269-L273 PolarHBondContact O-N 3.37Å; T269-W333 WeakPolarHBondContact OG1-CH2 3.24Å; T269-W333 VanDerWaalsContact OG1-CZ3 3.28Å; T269-W333 WeakPolarHBondContact OG1-CZ3 3.28Å; T269-I336 HydrophobicContact CG2-CG2 3.19Å
270	Q	90.2	Very high	89.6	Confident	134 Å²	134	49.8 Å²	49.8	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-63.3	-43.7	177.4	-175.5	177.2	-3.6	0	0	111.6	A266 S267 V268 L273 C274	A266-Q270 WeakPolarHBondContact O-CB 3.32Å; A266-Q270 PolarHBondContact O-N 2.81Å; S267-Q270 PolarHBondContact O-N 3.36Å; V268-Q270 PolarHBondContact O-N 2.89Å; Q270-L273 PolarHBondContact O-N 2.76Å; Q270-C274 WeakPolarHBondContact O-CB 3.43Å; Q270-C274 PolarHBondContact O-N 3.38Å
271	M	92.7	Very high	90	Very high	37 Å²	37	45.4 Å²	45.4	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-44.5	175.1	-70.4	-175.1	-74.1	0	0	111.5	L223 C226 R227 S267 V268 L273 C274 V275	L223-M271 HydrophobicContact CD1-CE 3.62Å; C226-M271 HydrophobicContact CB-CB 4.28Å; C226-M271 HydrophobicContact CB-CE 3.6Å; C226-M271 HydrophobicContact CB-SD 4.12Å; R227-M271 HydrophobicContact CB-SD 4.28Å; R227-M271 HydrophobicContact CG-CE 4.18Å; R227-M271 HydrophobicContact CG-SD 3.59Å; R227-M271 VanDerWaalsContact CG-SD 3.59Å; S267-M271 WeakPolarHBondContact O-CG 3.28Å; S267-M271 PolarHBondContact O-N 3.11Å; V268-M271 HydrophobicContact CG2-CE 4.44Å; V268-M271 PolarHBondContact O-N 3.33Å; M271-L273 VanDerWaalsContact C-N 3.35Å; M271-L273 PolarHBondContact O-N 2.79Å; M271-C274 WeakPolarHBondContact O-CB 3.28Å; M271-C274 PolarHBondContact O-N 2.74Å; M271-V275 WeakPolarHBondContact O-CG2 3.45Å; M271-V275 PolarHBondContact O-N 3.48Å; M271-V275 VanDerWaalsContact O-N 3.08Å
272	L	93.7	Very high	90.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-40.8	176	-71.3	169.5	0	0	0	112.3	L128 L229 I242 V244 V268 T269 V275 A276 V283 L285	L128-L272 HydrophobicContact CD2-CB 4.19Å; L229-L272 HydrophobicContact CD1-CD2 3.54Å; I242-L272 HydrophobicContact CG2-CD2 4.13Å; V244-L272 HydrophobicContact CG2-CD1 4.08Å; V244-L272 HydrophobicContact CG2-CD2 4.47Å; V268-L272 HydrophobicContact CG1-CD1 3.88Å; V268-L272 WeakPolarHBondContact O-CG 3.41Å; V268-L272 PolarHBondContact O-N 3.34Å; T269-L272 PolarHBondContact O-N 2.86Å; L272-V275 PolarHBondContact O-N 3.14Å; L272-A276 VanDerWaalsContact O-CB 3.31Å; L272-A276 WeakPolarHBondContact O-CB 3.19Å; L272-A276 PolarHBondContact O-N 2.74Å; L272-V283 HydrophobicContact CB-CG1 4.33Å; L272-V283 HydrophobicContact CD1-CG1 4.45Å; L272-L285 HydrophobicContact CD1-CD2 3.91Å
273	L	91.5	Very high	90.9	Very high	85 Å²	85	41.5 Å²	41.5	45%	0.445	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-40.9	176.9	-176.3	61.1	0	0	0	112	L128 T269 Q270 M271 A276 G277	L128-L273 HydrophobicContact CD1-CB 3.59Å; L128-L273 HydrophobicContact CD1-CD1 3.4Å; L128-L273 HydrophobicContact CD1-CG 4Å; T269-L273 WeakPolarHBondContact O-CB 3.27Å; T269-L273 PolarHBondContact O-N 3.37Å; Q270-L273 PolarHBondContact O-N 2.76Å; M271-L273 VanDerWaalsContact C-N 3.35Å; M271-L273 PolarHBondContact O-N 2.79Å; L273-A276 WeakPolarHBondContact O-CB 3.35Å; L273-A276 PolarHBondContact O-N 3.26Å; L273-G277 PolarHBondContact O-N 3.46Å
274	C	90.1	Very high	91.4	Very high	60 Å²	60	35.6 Å²	35.6	41%	0.405	19%	0.192	S	C	.	.	H	α-helix	trans	-57.6	-51.3	175.2	-172.6	0	0	0	0	110.6	E230 Q270 M271 A276 G277 R278	E230-C274 PolarHBondContact OE1-SG 2.85Å; Q270-C274 WeakPolarHBondContact O-CB 3.43Å; Q270-C274 PolarHBondContact O-N 3.38Å; M271-C274 WeakPolarHBondContact O-CB 3.28Å; M271-C274 PolarHBondContact O-N 2.74Å; C274-A276 VanDerWaalsContact C-N 3.35Å; C274-A276 PolarHBondContact O-N 3.47Å; C274-G277 PolarHBondContact O-N 3.14Å; C274-R278 PolarHBondContact O-N 3.42Å
275	V	90.4	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.6	177.4	0	0	0	0	111.3	L229 E230 I242 M271 L272 G277 R278 Q279	L229-V275 HydrophobicContact CB-CG2 3.83Å; E230-V275 HydrophobicContact CG-CG2 3.73Å; I242-V275 HydrophobicContact CD1-CB 4.4Å; I242-V275 HydrophobicContact CD1-CG1 3.52Å; M271-V275 WeakPolarHBondContact O-CG2 3.45Å; M271-V275 PolarHBondContact O-N 3.48Å; M271-V275 VanDerWaalsContact O-N 3.08Å; L272-V275 PolarHBondContact O-N 3.14Å; V275-G277 VanDerWaalsContact C-N 3.33Å; V275-G277 PolarHBondContact O-N 3.33Å; V275-R278 PolarHBondContact O-N 3.37Å; V275-Q279 HydrophobicContact CG1-CG 4.35Å; V275-Q279 WeakPolarHBondContact O-CB 3.49Å; V275-Q279 PolarHBondContact O-N 3.01Å
276	A	91	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.2	-45.8	176.7	0	0	0	0	0	111.8	G126 L272 L273 C274 K280 A281 V283	G126-A276 WeakPolarHBondContact CA-O 3.29Å; L272-A276 VanDerWaalsContact O-CB 3.31Å; L272-A276 WeakPolarHBondContact O-CB 3.19Å; L272-A276 PolarHBondContact O-N 2.74Å; L273-A276 WeakPolarHBondContact O-CB 3.35Å; L273-A276 PolarHBondContact O-N 3.26Å; C274-A276 VanDerWaalsContact C-N 3.35Å; C274-A276 PolarHBondContact O-N 3.47Å; A276-K280 CarbonylContact O-C 3.55Å; A276-K280 WeakPolarHBondContact O-CA 3.29Å; A276-K280 PolarHBondContact O-N 3.02Å; A276-A281 WeakPolarHBondContact CB-O 3.48Å; A276-A281 PolarHBondContact O-N 2.84Å; A276-V283 HydrophobicContact CB-CG2 3.67Å
277	G	87.9	Confident	92.2	Very high	47 Å²	47	31.8 Å²	31.8	49%	0.485	17%	0.166	S	C	.	.	H	α-helix	trans	-65.3	-49	177.5	0	0	0	0	0	112.4	L273 C274 V275 K280	L273-G277 PolarHBondContact O-N 3.46Å; C274-G277 PolarHBondContact O-N 3.14Å; V275-G277 VanDerWaalsContact C-N 3.33Å; V275-G277 PolarHBondContact O-N 3.33Å; G277-K280 PolarHBondContact O-N 3.47Å
278	R	87	Confident	92.1	Very high	116 Å²	116	31.9 Å²	31.9	44%	0.438	16%	0.164	S	C	.	.	H	α-helix	trans	-63.5	-47.9	-178.5	179.8	174.8	169.6	149.4	-4.1	112.7	D234 C274 V275 K280	D234-R278 IonicContact OD1-CZ 3.74Å; D234-R278 IonicContact OD1-NE 2.7Å; D234-R278 IonicContact OD1-NH2 3.59Å; D234-R278 PolarHBondContact OD1-NH2 2.88Å; D234-R278 IonicContact OD2-NH2 3.53Å; D234-R278 PolarHBondContact OD2-NH2 3.19Å; C274-R278 PolarHBondContact O-N 3.42Å; V275-R278 PolarHBondContact O-N 3.37Å; R278-K280 VanDerWaalsContact C-N 3.31Å
279	Q	88.9	Confident	91.8	Very high	22 Å²	22	33 Å²	33	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-85.3	-4	-178.6	-72	-66.2	-14	0	0	113.5	C233 R240 V275 A281	C233-Q279 HydrophobicContact CB-CG 3.69Å; C233-Q279 VanDerWaalsContact CB-NE2 3.32Å; C233-Q279 PolarHBondContact O-NE2 2.98Å; C233-Q279 VanDerWaalsContact O-NE2 3.08Å; R240-Q279 WeakPolarHBondContact CD-O 3.44Å; R240-Q279 PolarHBondContact NE-O 3.27Å; R240-Q279 PolarHBondContact NH1-O 2.85Å; V275-Q279 HydrophobicContact CG1-CG 4.35Å; V275-Q279 WeakPolarHBondContact O-CB 3.49Å; V275-Q279 PolarHBondContact O-N 3.01Å; Q279-A281 HydrophobicContact CB-CB 3.97Å; Q279-A281 PolarHBondContact O-N 3.15Å
280	K	90.2	Very high	91.2	Very high	130 Å²	130	35.2 Å²	35.2	57%	0.565	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	44.2	-165.4	-57.6	-179.1	-179.5	179.3	0	110.5	T125 A276 G277 R278	T125-K280 VanDerWaalsContact CB-O 3.25Å; T125-K280 WeakPolarHBondContact CB-O 3.07Å; T125-K280 WeakPolarHBondContact CG2-O 3.46Å; A276-K280 CarbonylContact O-C 3.55Å; A276-K280 WeakPolarHBondContact O-CA 3.29Å; A276-K280 PolarHBondContact O-N 3.02Å; G277-K280 PolarHBondContact O-N 3.47Å; R278-K280 VanDerWaalsContact C-N 3.31Å
281	A	94	Very high	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.			trans	-95.9	143.7	-179	0	0	0	0	0	110.2	G126 R240 A276 Q279	G126-A281 PolarHBondContact N-O 3.08Å; R240-A281 CarbonylContact O-C 3.52Å; R240-A281 VanDerWaalsContact O-CA 3.23Å; R240-A281 WeakPolarHBondContact O-CA 3.43Å; A276-A281 WeakPolarHBondContact CB-O 3.48Å; A276-A281 PolarHBondContact O-N 2.84Å; Q279-A281 HydrophobicContact CB-CB 3.97Å; Q279-A281 PolarHBondContact O-N 3.15Å
282	A	96.2	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	142.6	165.8	0	0	0	0	0	109.2	I108 F123 R240 L241 I242	I108-A282 HydrophobicContact CD1-CB 3.69Å; F123-A282 HydrophobicContact CB-CB 4.36Å; R240-A282 PolarHBondContact O-N 2.99Å; L241-A282 CarbonylContact C-O 3.54Å; L241-A282 WeakPolarHBondContact CA-O 3.28Å; L241-A282 HydrophobicContact CD1-CB 4.13Å; I242-A282 PolarHBondContact N-O 2.86Å
283	V	97.1	Very high	88.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.1	173.4	177.2	0	0	0	0	108.9	R127 L128 T129 I242 L272 A276 L285	R127-V283 PolarHBondContact O-N 2.96Å; L128-V283 CarbonylContact C-O 3.54Å; L128-V283 WeakPolarHBondContact CA-O 3.33Å; L128-V283 HydrophobicContact CD2-CG1 4Å; L128-V283 HydrophobicContact CG-CB 3.95Å; L128-V283 HydrophobicContact CG-CG1 3.97Å; T129-V283 PolarHBondContact N-O 3.32Å; I242-V283 HydrophobicContact CB-CG2 4.29Å; I242-V283 CarbonylContact O-C 3.54Å; I242-V283 VanDerWaalsContact O-CA 3.26Å; I242-V283 WeakPolarHBondContact O-CA 3.39Å; L272-V283 HydrophobicContact CB-CG1 4.33Å; L272-V283 HydrophobicContact CD1-CG1 4.45Å; A276-V283 HydrophobicContact CB-CG2 3.67Å; V283-L285 HydrophobicContact CG1-CD2 3.81Å; V283-L285 HydrophobicContact CG1-CG 4.25Å
284	I	97.6	Very high	87.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123	176.6	-56.3	176	0	0	0	108.4	F123 T129 L131 A146 L241 I242 V243 V244	F123-I284 HydrophobicContact CB-CD1 4.46Å; F123-I284 HydrophobicContact CD1-CD1 3.61Å; F123-I284 HydrophobicContact CD1-CG1 3.75Å; F123-I284 HydrophobicContact CD2-CD1 3.89Å; F123-I284 HydrophobicContact CE1-CD1 3.66Å; F123-I284 HydrophobicContact CE1-CG1 4Å; F123-I284 HydrophobicContact CE1-CG2 4.42Å; F123-I284 HydrophobicContact CE2-CD1 3.93Å; F123-I284 HydrophobicContact CG-CD1 3.72Å; F123-I284 HydrophobicContact CG-CG1 4.18Å; F123-I284 HydrophobicContact CZ-CD1 3.82Å; T129-I284 WeakPolarHBondContact O-CA 3.46Å; L131-I284 HydrophobicContact CD1-CG2 3.77Å; L131-I284 HydrophobicContact CG-CG2 4Å; A146-I284 HydrophobicContact CB-CD1 3.65Å; L241-I284 HydrophobicContact CD1-CD1 3.73Å; L241-I284 HydrophobicContact CD1-CG1 3.88Å; I242-I284 PolarHBondContact O-N 3.38Å; V243-I284 CarbonylContact C-O 3.47Å; V243-I284 WeakPolarHBondContact CA-O 3.07Å; V243-I284 HydrophobicContact CG2-CB 4.33Å; V244-I284 PolarHBondContact N-O 2.8Å
285	L	96.8	Very high	85.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.4	174.6	-53.3	-176.2	0	0	0	108.6	L128 T129 E130 L131 V244 I247 L272 V283 W333	L128-L285 HydrophobicContact CD2-CD1 3.73Å; L128-L285 HydrophobicContact CD2-CG 4.3Å; T129-L285 PolarHBondContact O-N 3.47Å; E130-L285 CarbonylContact C-O 3.57Å; E130-L285 VanDerWaalsContact CA-O 3.32Å; E130-L285 WeakPolarHBondContact CA-O 3.39Å; L131-L285 PolarHBondContact N-O 3.32Å; V244-L285 HydrophobicContact CB-CD2 3.61Å; V244-L285 HydrophobicContact CG2-CD2 3.54Å; I247-L285 HydrophobicContact CB-CB 4.44Å; I247-L285 HydrophobicContact CG2-CB 4.16Å; L272-L285 HydrophobicContact CD1-CD2 3.91Å; V283-L285 HydrophobicContact CG1-CD2 3.81Å; V283-L285 HydrophobicContact CG1-CG 4.25Å; L285-W333 HydrophobicContact CD1-CH2 3.68Å; L285-W333 HydrophobicContact CD1-CZ2 3.57Å
286	T	95.9	Very high	84.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.6	170.2	76.5	0	0	0	0	110.3	L131 K139 C143 V244 D245 S246 I247	L131-T286 CarbonylContact O-C 3.57Å; L131-T286 VanDerWaalsContact O-CA 3.31Å; L131-T286 WeakPolarHBondContact O-CA 3.48Å; K139-T286 HydrophobicContact CB-CG2 4.13Å; C143-T286 WeakPolarHBondContact SG-CG2 3.38Å; V244-T286 PolarHBondContact O-N 3.32Å; D245-T286 WeakPolarHBondContact CA-OG1 3.02Å; D245-T286 HydrophobicContact CB-CG2 4.13Å; D245-T286 WeakPolarHBondContact OD1-CB 3.28Å; D245-T286 VanDerWaalsContact OD1-CG2 3.27Å; D245-T286 WeakPolarHBondContact OD1-CG2 3.44Å; D245-T286 PolarHBondContact OD1-OG1 2.73Å; S246-T286 WeakPolarHBondContact CA-O 3.47Å; S246-T286 WeakPolarHBondContact CA-OG1 3.4Å; S246-T286 VanDerWaalsContact CB-O 3.25Å; S246-T286 WeakPolarHBondContact CB-O 3.14Å; S246-T286 WeakPolarHBondContact CB-OG1 3.34Å; I247-T286 WeakPolarHBondContact CG2-O 3.33Å; I247-T286 PolarHBondContact N-O 3.43Å
287	N	93.5	Very high	82.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.8	176.7	-163.5	-2.8	0	0	0	110	E130 L131 C132 K139 A248	E130-N287 HydrophobicContact CG-CB 4.13Å; E130-N287 VanDerWaalsContact OE1-CB 3.23Å; E130-N287 WeakPolarHBondContact OE1-CB 3.44Å; E130-N287 PolarHBondContact OE1-ND2 3.14Å; L131-N287 PolarHBondContact O-N 3.13Å; C132-N287 HydrophobicContact CB-CB 4.3Å; K139-N287 WeakPolarHBondContact CD-O 3.23Å; A248-N287 VanDerWaalsContact CB-OD1 3.28Å; A248-N287 WeakPolarHBondContact CB-OD1 3.39Å
288	Q	87.3	Confident	80.1	Confident	32 Å²	32	59.2 Å²	59.2	15%	0.15	29%	0.293	C	S	.	.			trans	-89.2	163.7	173.4	-62.7	-178.9	-0.4	0	0	109.6	E169 A248 A328	E169-Q288 PolarHBondContact OE1-NE2 3.34Å; A248-Q288 HydrophobicContact CB-CB 4.41Å; A248-Q288 HydrophobicContact CB-CG 4.48Å; Q288-A328 HydrophobicContact CB-CB 4.43Å; Q288-A328 VanDerWaalsContact O-CB 3.3Å; Q288-A328 WeakPolarHBondContact O-CB 3.27Å; Q288-A328 PolarHBondContact O-N 3.05Å
289	I	84.6	Confident	77.8	Confident	22 Å²	22	61.2 Å²	61.2	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	155.1	169.9	63.5	160.4	0	0	0	110.7	E134 L325 V326 F342	E134-I289 HydrophobicContact CB-CD1 4.29Å; E134-I289 HydrophobicContact CG-CD1 3.27Å; E134-I289 HydrophobicContact CG-CG1 4.16Å; I289-L325 HydrophobicContact CD1-CB 4.09Å; I289-L325 HydrophobicContact CD1-CD1 3.79Å; I289-L325 HydrophobicContact CD1-CD2 3.85Å; I289-L325 HydrophobicContact CD1-CG 4.11Å; I289-V326 CarbonylContact C-O 3.52Å; I289-V326 WeakPolarHBondContact CA-O 3.47Å; I289-F342 HydrophobicContact CG2-CE2 4Å
290	T	77.9	Confident	75.3	Confident	53 Å²	53	63.2 Å²	63.2	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.9	170.4	-168.3	0	0	0	0	109.5	V326	T290-V326 HydrophobicContact CG2-CG2 3.68Å; T290-V326 PolarHBondContact N-O 3.05Å; T290-V326 PolarHBondContact O-N 3.14Å; T290-V326 VanDerWaalsContact O-O 3.04Å
291	T	76.8	Confident	72.6	Confident	64 Å²	64	65.8 Å²	65.8	39%	0.393	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.1	172.3	47.3	0	0	0	0	109.3	L325	T291-L325 HydrophobicContact CG2-CD2 3.55Å
292	K	72	Confident	69.5	Low	113 Å²	113	74.8 Å²	74.8	49%	0.491	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.7	165.8	-172	178	179.7	-176.7	0	108	S323 C324 V326	K292-S323 WeakPolarHBondContact O-CA 3.28Å; K292-C324 PolarHBondContact N-O 3.08Å; K292-C324 PolarHBondContact O-N 3.33Å; K292-V326 HydrophobicContact CB-CG1 4.25Å; K292-V326 HydrophobicContact CB-CG2 3.89Å
293	F	71.4	Confident	66.5	Low	149 Å²	149	80.4 Å²	80.4	65%	0.654	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.2	171.5	-61.7	-78.5	0	0	0	108.4	A295 N322	F293-A295 PolarHBondContact O-N 3.08Å; F293-N322 WeakPolarHBondContact CA-O 3.26Å
294	D	66.4	Low	63	Low	83 Å²	83	88.2 Å²	88.2	44%	0.444	46%	0.461	S	S	.	.			trans	-86.3	103.4	177.4	-130.8	-22.6	0	0	0	109	K296 N322	D294-K296 PolarHBondContact O-N 3.44Å; D294-K296 VanDerWaalsContact O-N 3.09Å; D294-N322 PolarHBondContact N-O 3.12Å; D294-N322 VanDerWaalsContact N-O 3.15Å
295	A	58.2	Low	59.9	Low	72 Å²	72	93.5 Å²	93.5	60%	0.595	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-66.4	-10.6	-177.8	0	0	0	0	0	113.3	F293 N297 L298	F293-A295 PolarHBondContact O-N 3.08Å; A295-N297 VanDerWaalsContact C-N 3.27Å; A295-N297 PolarHBondContact O-N 2.85Å; A295-L298 PolarHBondContact O-N 2.87Å
296	K	56.5	Low	56.5	Low	172 Å²	172	99.6 Å²	99.6	75%	0.748	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17	-176.9	-67.9	-174.7	177.9	-177.8	0	114.2	D294	D294-K296 PolarHBondContact O-N 3.44Å; D294-K296 VanDerWaalsContact O-N 3.09Å
297	N	47.3	Very low	53.5	Low	86 Å²	86	107.3 Å²	107.3	46%	0.46	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-96.4	5	179.1	-73.1	-12.3	0	0	0	114.3	A295 N299 N322	A295-N297 VanDerWaalsContact C-N 3.27Å; A295-N297 PolarHBondContact O-N 2.85Å; N297-N299 VanDerWaalsContact C-N 3.34Å; N297-N322 WeakPolarHBondContact CB-OD1 3.47Å
298	L	45.7	Very low	50.3	Low	129 Å²	129	115.9 Å²	115.9	68%	0.675	61%	0.613	S	S	*	*	S	Bend	trans	-82.3	-11.7	177.3	-76.5	155.8	0	0	0	113.4	A295	A295-L298 PolarHBondContact O-N 2.87Å
299	N	39.3	Very low	47.6	Very low	159 Å²	159	117.9 Å²	117.9	85%	0.85	64%	0.642	S	S	*	*	S	Bend	trans	-121.8	10.3	-175.3	-67.9	-5.8	0	0	0	114.3	N297	N297-N299 VanDerWaalsContact C-N 3.34Å
300	S	36	Very low	45.1	Very low	64 Å²	64	124.9 Å²	124.9	45%	0.448	68%	0.68	S	S	.	*			trans	-116.2	85.3	179.3	25.1	0	0	0	0	110.3	Q302	S300-Q302 PolarHBondContact O-N 2.96Å
301	E	35	Very low	42.7	Very low	183 Å²	183	132 Å²	132	86%	0.855	71%	0.706	S	S	*	*			trans	-55.9	125	154.2	-67.6	-179.2	155.3	0	0	108.3
302	Q	28.1	Very low	40.6	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	72%	0.715	S	S	*	*			trans	48.6	87.9	161	-66	177.6	-11.1	0	0	117	S300	S300-Q302 PolarHBondContact O-N 2.96Å
303	V	32.5	Very low	38.6	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.715	72%	0.715	S	S	*	*			trans	-140.2	108.8	149.7	-172.6	0	0	0	0	109.3	C305	V303-C305 PolarHBondContact O-N 3.29Å
304	D	25.4	Very low	36.5	Very low	164 Å²	164	133.6 Å²	133.6	88%	0.877	73%	0.729	S	S	*	*			trans	-56	123.2	165.8	-80.5	-43.1	0	0	0	110.1
305	C	30.5	Very low	34.9	Very low	111 Å²	111	136.2 Å²	136.2	75%	0.75	74%	0.739	S	S	*	*			trans	-123.9	94.6	168.1	-70.7	0	0	0	0	109.5	V303 I307	V303-C305 PolarHBondContact O-N 3.29Å; C305-I307 PolarHBondContact O-N 2.86Å
306	V	25.8	Very low	33.5	Very low	127 Å²	127	142.2 Å²	142.2	77%	0.77	75%	0.754	S	S	*	*			trans	-57.2	121	159.5	178.1	0	0	0	0	108.7
307	I	33.3	Very low	32.5	Very low	163 Å²	163	139.6 Å²	139.6	84%	0.836	76%	0.756	S	S	*	*			trans	-135.5	115.1	153.6	-60.7	-172.7	0	0	0	108.4	C305	C305-I307 PolarHBondContact O-N 2.86Å
308	E	27.3	Very low	31.9	Very low	180 Å²	180	147 Å²	147	84%	0.841	78%	0.778	S	S	*	*			trans	-60.2	143	170.9	-59.8	173.7	139.9	0	0	111.2
309	G	29.5	Very low	31.3	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	78%	0.781	S	S	*	*			trans	149.7	83.9	167.6	0	0	0	0	0	114.5
310	D	31.7	Very low	31.4	Very low	169 Å²	169	145.8 Å²	145.8	90%	0.904	77%	0.772	S	S	*	*			trans	66.1	119.3	160.1	-69.9	-21.4	0	0	0	122
311	K	27.9	Very low	32.3	Very low	203 Å²	203	150.4 Å²	150.4	88%	0.883	79%	0.786	S	S	*	*			trans	-76.7	112.9	-178.2	-62.4	169.5	176	173.7	0	109.9
312	V	32.2	Very low	33.3	Very low	94 Å²	94	144.7 Å²	144.7	57%	0.57	76%	0.762	S	S	*	*			trans	-146.7	125.7	147	-157.4	0	0	0	0	112.5	E390	V312-E390 VanDerWaalsContact CG1-C 3.5Å; V312-E390 HydrophobicContact CG1-CB 3.91Å; V312-E390 WeakPolarHBondContact CG1-O 3.47Å
313	G	29.9	Very low	35.1	Very low	49 Å²	49	137.9 Å²	137.9	51%	0.505	74%	0.735	S	S	.	*			trans	61.1	83.7	153.9	0	0	0	0	0	119.3	E315	G313-E315 PolarHBondContact O-N 3.41Å; G313-E315 VanDerWaalsContact O-N 3.17Å
314	K	27.3	Very low	37.1	Very low	217 Å²	217	136 Å²	136	94%	0.943	73%	0.726	S	S	*	*			trans	-71	99.9	161.9	-76.3	-178.3	176.5	178.7	0	110.6
315	E	33.9	Very low	39.5	Very low	138 Å²	138	132 Å²	132	65%	0.645	70%	0.704	S	S	*	*			trans	-127	106.7	158	-81	-171.5	160	0	0	110.9	G313 C317	G313-E315 PolarHBondContact O-N 3.41Å; G313-E315 VanDerWaalsContact O-N 3.17Å; E315-C317 PolarHBondContact O-N 3.24Å
316	Q	29	Very low	41.7	Very low	198 Å²	198	128.7 Å²	128.7	93%	0.925	68%	0.68	S	S	*	*			trans	38.7	67.2	154.8	-71.4	174.4	-7.2	0	0	118.6
317	C	35.4	Very low	44.3	Very low	116 Å²	116	124 Å²	124	78%	0.784	65%	0.653	S	S	*	*			trans	-84.5	118.9	148.2	-67	0	0	0	0	108.3	E315 N319	E315-C317 PolarHBondContact O-N 3.24Å; C317-N319 PolarHBondContact O-N 3.48Å
318	R	34.9	Very low	46.5	Very low	243 Å²	243	117.4 Å²	117.4	92%	0.917	62%	0.622	S	S	*	*			trans	-54.2	125.5	162.9	-85.4	177.4	167.1	171.6	-5.1	107.9	D320	R318-D320 PolarHBondContact O-N 2.91Å
319	N	32.9	Very low	49	Very low	139 Å²	139	109 Å²	109	74%	0.743	58%	0.583	S	S	*	*			trans	-67.3	71.2	178.4	-78.9	-22.3	0	0	0	112	C317	C317-N319 PolarHBondContact O-N 3.48Å
320	D	42.1	Very low	51.3	Low	122 Å²	122	107.1 Å²	107.1	65%	0.652	56%	0.564	S	S	*	*			trans	-99.2	82.3	154.7	-93	-21.4	0	0	0	107.5	R318 N322 S323	R318-D320 PolarHBondContact O-N 2.91Å; D320-N322 PolarHBondContact O-N 3.04Å; D320-S323 PolarHBondContact O-N 2.86Å
321	Q	53.8	Low	53.3	Low	162 Å²	162	105.3 Å²	105.3	76%	0.757	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-1.4	-177.3	-69.5	-175.5	-4.6	0	0	114.5
322	N	55.5	Low	55.6	Low	63 Å²	63	98 Å²	98	34%	0.337	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	3.2	-176.3	-73.4	-4.5	0	0	0	114.7	F293 D294 N297 D320	F293-N322 WeakPolarHBondContact CA-O 3.26Å; D294-N322 PolarHBondContact N-O 3.12Å; D294-N322 VanDerWaalsContact N-O 3.15Å; N297-N322 WeakPolarHBondContact CB-OD1 3.47Å; D320-N322 PolarHBondContact O-N 3.04Å
323	S	65.8	Low	58	Low	47 Å²	47	93.6 Å²	93.6	33%	0.329	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.1	178.7	75.1	0	0	0	0	112.1	K292 D320	K292-S323 WeakPolarHBondContact O-CA 3.28Å; D320-S323 PolarHBondContact O-N 2.86Å
324	C	75.3	Confident	60.2	Low	78 Å²	78	91.6 Å²	91.6	53%	0.527	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.9	174.7	-177.8	0	0	0	0	109.7	K292 V326	K292-C324 PolarHBondContact N-O 3.08Å; K292-C324 PolarHBondContact O-N 3.33Å; C324-V326 PolarHBondContact O-N 3Å
325	L	74.7	Confident	62.6	Low	79 Å²	79	88.7 Å²	88.7	41%	0.414	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120	175.8	-62.5	178.4	0	0	0	109.6	E134 I289 T291	E134-L325 VanDerWaalsContact OE1-CD1 3.27Å; E134-L325 WeakPolarHBondContact OE1-CD1 3.41Å; I289-L325 HydrophobicContact CD1-CB 4.09Å; I289-L325 HydrophobicContact CD1-CD1 3.79Å; I289-L325 HydrophobicContact CD1-CD2 3.85Å; I289-L325 HydrophobicContact CD1-CG 4.11Å; T291-L325 HydrophobicContact CG2-CD2 3.55Å
326	V	77.9	Confident	64.7	Low	42 Å²	42	85.3 Å²	85.3	26%	0.255	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.9	-179.7	-60.8	0	0	0	0	110.6	I289 T290 K292 C324	I289-V326 CarbonylContact C-O 3.52Å; I289-V326 WeakPolarHBondContact CA-O 3.47Å; T290-V326 HydrophobicContact CG2-CG2 3.68Å; T290-V326 PolarHBondContact N-O 3.05Å; T290-V326 PolarHBondContact O-N 3.14Å; T290-V326 VanDerWaalsContact O-O 3.04Å; K292-V326 HydrophobicContact CB-CG1 4.25Å; K292-V326 HydrophobicContact CB-CG2 3.89Å; C324-V326 PolarHBondContact O-N 3Å
327	P	79.4	Confident	67.2	Low	29 Å²	29	76 Å²	76	19%	0.188	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	139.6	171.8	-25	35.5	0	0	0	111.9	L329 G330	P327-L329 VanDerWaalsContact C-N 3.26Å; P327-L329 PolarHBondContact O-N 3Å; P327-L329 VanDerWaalsContact O-N 3.14Å; P327-G330 PolarHBondContact O-N 3.43Å
328	A	79.9	Confident	69.4	Low	24 Å²	24	72.5 Å²	72.5	20%	0.198	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.6	-167.5	0	0	0	0	0	115	A248 Q288	A248-A328 HydrophobicContact CB-CB 4.42Å; Q288-A328 HydrophobicContact CB-CB 4.43Å; Q288-A328 VanDerWaalsContact O-CB 3.3Å; Q288-A328 WeakPolarHBondContact O-CB 3.27Å; Q288-A328 PolarHBondContact O-N 3.05Å
329	L	80.3	Confident	72.1	Confident	4 Å²	4	61 Å²	61	2%	0.021	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.4	-174	-63.7	-179.6	0	0	0	114.4	I247 A248 L265 P327 W333	I247-L329 HydrophobicContact CG2-CD1 3.91Å; A248-L329 HydrophobicContact CB-CD2 4.45Å; A248-L329 HydrophobicContact CB-CG 4.4Å; L265-L329 HydrophobicContact CD1-CD1 4.36Å; L265-L329 HydrophobicContact CD1-CD2 3.89Å; L265-L329 HydrophobicContact CD2-CD1 4.1Å; P327-L329 VanDerWaalsContact C-N 3.26Å; P327-L329 PolarHBondContact O-N 3Å; P327-L329 VanDerWaalsContact O-N 3.14Å; L329-W333 HydrophobicContact CB-CB 3.47Å; L329-W333 VanDerWaalsContact CB-CB 3.47Å; L329-W333 HydrophobicContact CB-CD2 4.1Å; L329-W333 HydrophobicContact CB-CG 3.52Å; L329-W333 HydrophobicContact CD1-CB 4.49Å; L329-W333 HydrophobicContact CD1-CD2 3.43Å; L329-W333 VanDerWaalsContact CD1-CD2 3.43Å; L329-W333 HydrophobicContact CD1-CE3 3.75Å; L329-W333 HydrophobicContact CD1-CG 3.76Å; L329-W333 HydrophobicContact CD1-CH2 4.45Å; L329-W333 HydrophobicContact CD1-CZ2 4.16Å; L329-W333 HydrophobicContact CD1-CZ3 4.24Å; L329-W333 HydrophobicContact CG-CD2 4.41Å; L329-W333 HydrophobicContact CG-CG 4.29Å
330	G	77.6	Confident	75.1	Confident	33 Å²	33	56.2 Å²	56.2	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	71.9	-172.9	176.7	0	0	0	0	0	114.8	P327 S332 W333 G334	P327-G330 PolarHBondContact O-N 3.43Å; G330-S332 PolarHBondContact O-N 3.22Å; G330-W333 PolarHBondContact O-N 3.19Å; G330-G334 PolarHBondContact O-N 2.9Å
331	D	74.7	Confident	77.6	Confident	131 Å²	131	50.5 Å²	50.5	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-70.6	-32.8	-169.6	-61.5	-37.2	0	0	0	113.3	W333 G334 H335	D331-W333 PolarHBondContact O-N 2.83Å; D331-G334 PolarHBondContact O-N 3.46Å; D331-H335 PolarHBondContact O-CD2 3.39Å; D331-H335 VanDerWaalsContact O-CD2 3.25Å; D331-H335 PolarHBondContact O-N 3.44Å
332	S	75.8	Confident	79.5	Confident	50 Å²	50	44.5 Å²	44.5	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-56.4	-39.9	176.5	53.6	0	0	0	0	111.8	N262 G330 I336	N262-S332 PolarHBondContact ND2-OG 3.02Å; G330-S332 PolarHBondContact O-N 3.22Å; S332-I336 WeakPolarHBondContact O-CG1 2.88Å
333	W	82.3	Confident	81.4	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-38.1	175.4	-179.7	-99.5	0	0	0	112.9	E130 I247 L265 T269 L285 L329 G330 D331 H335 I336 C337	E130-W333 VanDerWaalsContact CD-NE1 3.34Å; E130-W333 VanDerWaalsContact OE1-CD1 3.32Å; E130-W333 PolarHBondContact OE1-NE1 2.75Å; I247-W333 HydrophobicContact CB-CH2 4.45Å; I247-W333 HydrophobicContact CB-CZ2 4.48Å; I247-W333 HydrophobicContact CG1-CH2 3.57Å; I247-W333 HydrophobicContact CG1-CZ2 4.06Å; I247-W333 HydrophobicContact CG1-CZ3 4.21Å; I247-W333 HydrophobicContact CG2-CH2 4.07Å; I247-W333 HydrophobicContact CG2-CZ2 3.65Å; L265-W333 HydrophobicContact CB-CE3 4.13Å; L265-W333 HydrophobicContact CB-CZ3 4.02Å; L265-W333 HydrophobicContact CD1-CE3 4.38Å; L265-W333 HydrophobicContact CD2-CE3 4.1Å; L265-W333 HydrophobicContact CD2-CZ3 3.77Å; L265-W333 HydrophobicContact CG-CE3 4.45Å; L265-W333 HydrophobicContact CG-CZ3 4.41Å; T269-W333 WeakPolarHBondContact OG1-CH2 3.24Å; T269-W333 VanDerWaalsContact OG1-CZ3 3.28Å; T269-W333 WeakPolarHBondContact OG1-CZ3 3.28Å; L285-W333 HydrophobicContact CD1-CH2 3.68Å; L285-W333 HydrophobicContact CD1-CZ2 3.57Å; L329-W333 HydrophobicContact CB-CB 3.47Å; L329-W333 VanDerWaalsContact CB-CB 3.47Å; L329-W333 HydrophobicContact CB-CD2 4.1Å; L329-W333 HydrophobicContact CB-CG 3.52Å; L329-W333 HydrophobicContact CD1-CB 4.49Å; L329-W333 HydrophobicContact CD1-CD2 3.43Å; L329-W333 VanDerWaalsContact CD1-CD2 3.43Å; L329-W333 HydrophobicContact CD1-CE3 3.75Å; L329-W333 HydrophobicContact CD1-CG 3.76Å; L329-W333 HydrophobicContact CD1-CH2 4.45Å; L329-W333 HydrophobicContact CD1-CZ2 4.16Å; L329-W333 HydrophobicContact CD1-CZ3 4.24Å; L329-W333 HydrophobicContact CG-CD2 4.41Å; L329-W333 HydrophobicContact CG-CG 4.29Å; G330-W333 PolarHBondContact O-N 3.19Å; D331-W333 PolarHBondContact O-N 2.83Å; W333-H335 PolarHBondContact O-N 3.25Å; W333-H335 VanDerWaalsContact O-N 3.14Å; W333-I336 HydrophobicContact CE3-CD1 4.32Å; W333-I336 PolarHBondContact O-N 3.44Å; W333-C337 VanDerWaalsContact CZ2-SG 3.59Å; W333-C337 PolarHBondContact O-N 3.14Å
334	G	76.8	Confident	82.7	Confident	8 Å²	8	40 Å²	40	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-25.2	-179.3	0	0	0	0	0	114.2	G330 D331 K357	G330-G334 PolarHBondContact O-N 2.9Å; D331-G334 PolarHBondContact O-N 3.46Å; G334-K357 PolarHBondContact O-NZ 3.22Å
335	H	76.4	Confident	83.5	Confident	155 Å²	155	42.6 Å²	42.6	72%	0.718	23%	0.233	S	C	*	.	H	α-helix	trans	-78.5	-32.9	174.4	-70.5	-71.5	0	0	0	113.3	D331 W333 K357	D331-H335 PolarHBondContact O-CD2 3.39Å; D331-H335 VanDerWaalsContact O-CD2 3.25Å; D331-H335 PolarHBondContact O-N 3.44Å; W333-H335 PolarHBondContact O-N 3.25Å; W333-H335 VanDerWaalsContact O-N 3.14Å; H335-K357 PolarHBondContact O-NZ 2.96Å; H335-K357 VanDerWaalsContact O-NZ 3.15Å
336	I	78.7	Confident	84.2	Confident	68 Å²	68	42.2 Å²	42.2	35%	0.349	23%	0.231	S	C	.	.	H	α-helix	trans	-70.4	-46.1	-173.8	-61.2	172.3	0	0	0	111.5	A266 T269 S332 W333	A266-I336 HydrophobicContact CB-CD1 4.24Å; T269-I336 HydrophobicContact CG2-CG2 3.19Å; S332-I336 WeakPolarHBondContact O-CG1 2.88Å; W333-I336 HydrophobicContact CE3-CD1 4.32Å; W333-I336 PolarHBondContact O-N 3.44Å
337	C	81.2	Confident	84.7	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.239	C	C	.	.			trans	-79.7	124.3	178.7	-69.2	0	0	0	0	110.6	E130 W333 R340 K357	E130-C337 HydrophobicContact CB-CB 4.17Å; W333-C337 VanDerWaalsContact CZ2-SG 3.59Å; W333-C337 PolarHBondContact O-N 3.14Å; C337-R340 HydrophobicContact CB-CG 4.14Å; C337-K357 WeakPolarHBondContact O-CD 2.98Å; C337-K357 WeakPolarHBondContact O-CE 3.31Å; C337-K357 PolarHBondContact O-NZ 3.15Å
338	S	81.6	Confident	84.9	Confident	44 Å²	44	48.2 Å²	48.2	31%	0.308	27%	0.267	S	S	.	.	S	Bend	trans	-80.2	-24.8	179.3	58.1	0	0	0	0	113.2
339	L	92.3	Very high	85.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.9	179	-65.5	161.9	0	0	0	109.8	P124 R127 T129 E130 K357 H358	P124-L339 HydrophobicContact CG-CD1 3.24Å; R127-L339 HydrophobicContact CB-CD1 4.01Å; T129-L339 HydrophobicContact CG2-CB 4.32Å; E130-L339 PolarHBondContact N-O 2.86Å; L339-K357 WeakPolarHBondContact CA-O 3.19Å; L339-H358 HydrophobicContact CD2-CB 3.96Å; L339-H358 WeakPolarHBondContact CD2-CD2 3.46Å; L339-H358 VanDerWaalsContact CD2-CG 3.43Å; L339-H358 WeakPolarHBondContact CD2-NE2 3.41Å
340	R	94.3	Very high	85.7	Confident	39 Å²	39	51.5 Å²	51.5	15%	0.147	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.4	-177.3	-54.5	178.4	71.4	-168.5	7	110.3	E130 C337 L356 K357	E130-R340 HydrophobicContact CB-CG 4.32Å; E130-R340 IonicContact OE1-NH2 3.91Å; E130-R340 WeakPolarHBondContact OE2-CG 3.08Å; E130-R340 IonicContact OE2-CZ 3.33Å; E130-R340 IonicContact OE2-NE 3.98Å; E130-R340 PolarHBondContact OE2-NE 3.34Å; E130-R340 IonicContact OE2-NH2 2.69Å; E130-R340 PolarHBondContact OE2-NH2 3.25Å; C337-R340 HydrophobicContact CB-CG 4.14Å; R340-L356 HydrophobicContact CB-CB 4.17Å; R340-L356 PolarHBondContact O-N 3.49Å; R340-K357 HydrophobicContact CB-CB 3.86Å; R340-K357 HydrophobicContact CG-CB 3.9Å; R340-K357 HydrophobicContact CG-CD 4.17Å; R340-K357 PolarHBondContact N-O 3.03Å; R340-K357 PolarHBondContact O-N 3.09Å
341	V	94.9	Very high	86.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.2	-178.9	179.5	0	0	0	0	108.9	F115 L119 T129 E130 L131 C132 L343 V353 R354 L355	F115-V341 HydrophobicContact CE2-CG1 4.03Å; L119-V341 HydrophobicContact CD2-CG2 3.93Å; T129-V341 HydrophobicContact CG2-CG2 4.44Å; E130-V341 PolarHBondContact O-N 3.47Å; L131-V341 HydrophobicContact CD2-CB 3.87Å; L131-V341 HydrophobicContact CD2-CG1 4.2Å; L131-V341 HydrophobicContact CD2-CG2 4.41Å; C132-V341 PolarHBondContact N-O 3.27Å; V341-L343 HydrophobicContact CG1-CD2 4.06Å; V341-V353 HydrophobicContact CG1-CG2 3.19Å; V341-R354 WeakPolarHBondContact CA-O 3.39Å; V341-L355 HydrophobicContact CG2-CD1 3.98Å
342	F	94.5	Very high	87.5	Confident	36 Å²	36	46 Å²	46	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.7	176.6	-170.6	-96.1	0	0	0	110.7	C132 I289 A344 V353 R354 L356	C132-F342 HydrophobicContact CB-CD2 4.43Å; C132-F342 CarbonylContact O-C 3.51Å; C132-F342 WeakPolarHBondContact O-CA 3.43Å; I289-F342 HydrophobicContact CG2-CE2 4Å; F342-A344 HydrophobicContact CD1-CB 4.42Å; F342-A344 HydrophobicContact CE1-CB 4.06Å; F342-V353 CarbonylContact O-C 3.46Å; F342-V353 WeakPolarHBondContact O-CA 3.46Å; F342-R354 HydrophobicContact CB-CB 4.35Å; F342-R354 PolarHBondContact N-O 2.92Å; F342-R354 PolarHBondContact O-N 3.49Å; F342-L356 HydrophobicContact CB-CD1 3.72Å; F342-L356 HydrophobicContact CB-CD2 4.02Å; F342-L356 HydrophobicContact CB-CG 3.73Å; F342-L356 HydrophobicContact CD2-CD1 4.33Å; F342-L356 HydrophobicContact CG-CD1 4.38Å
343	L	95.3	Very high	88.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127	180	-59.3	-175.3	0	0	0	109.3	C132 G133 V137 K139 F142 V341 Q352 V353 Y368	C132-L343 PolarHBondContact O-N 3.26Å; G133-L343 WeakPolarHBondContact CA-O 3.4Å; V137-L343 HydrophobicContact CB-CB 4.11Å; V137-L343 HydrophobicContact CG2-CB 3.57Å; V137-L343 HydrophobicContact CG2-CD1 4.34Å; K139-L343 HydrophobicContact CG-CD1 4.04Å; F142-L343 HydrophobicContact CD2-CD1 3.7Å; F142-L343 HydrophobicContact CE2-CD1 3.81Å; F142-L343 HydrophobicContact CE2-CD2 3.98Å; V341-L343 HydrophobicContact CG1-CD2 4.06Å; L343-Q352 WeakPolarHBondContact CA-O 3.27Å; L343-V353 HydrophobicContact CD2-CB 3.89Å; L343-V353 HydrophobicContact CD2-CG2 3.82Å; L343-Y368 HydrophobicContact CD2-CE1 3.91Å
344	A	93.8	Very high	89.1	Confident	16 Å²	16	47.9 Å²	47.9	13%	0.132	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.7	177.7	0	0	0	0	0	110.6	F342 R351 Q352	F342-A344 HydrophobicContact CD1-CB 4.42Å; F342-A344 HydrophobicContact CE1-CB 4.06Å; A344-R351 WeakPolarHBondContact O-CA 3.22Å; A344-R351 WeakPolarHBondContact O-CB 3.45Å; A344-Q352 PolarHBondContact N-O 3.36Å; A344-Q352 PolarHBondContact O-N 2.82Å
345	R	92.1	Very high	89.9	Confident	133 Å²	133	47.7 Å²	47.7	50%	0.502	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.1	169.4	-176.9	177.9	-179.5	178.2	-2.5	108.3	V137 T347	V137-R345 HydrophobicContact CG1-CB 4.32Å; R345-T347 PolarHBondContact NE-O 2.94Å
346	L	89.2	Confident	90.6	Very high	71 Å²	71	44.2 Å²	44.2	37%	0.372	23%	0.233	S	C	.	.			trans	-93.4	-60.1	176.6	-69	175.7	0	0	0	110.4	I350 Q352 Y367	L346-I350 HydrophobicContact CD1-CG2 4.38Å; L346-I350 PolarHBondContact N-O 3.3Å; L346-Q352 HydrophobicContact CD1-CB 3.77Å; L346-Q352 HydrophobicContact CD1-CG 4.34Å; L346-Q352 HydrophobicContact CD2-CB 4.41Å; L346-Q352 HydrophobicContact CG-CB 3.89Å; L346-Y367 HydrophobicContact CD1-CD1 3.9Å; L346-Y367 HydrophobicContact CD1-CE1 3.53Å
347	T	87.3	Confident	91.3	Very high	71 Å²	71	44.3 Å²	44.3	44%	0.436	23%	0.23	S	C	.	.	S	Bend	trans	-134.6	-171.2	-177.4	62.2	0	0	0	0	111	R345 G349 I350	R345-T347 PolarHBondContact NE-O 2.94Å; T347-G349 PolarHBondContact O-N 2.83Å; T347-G349 VanDerWaalsContact O-N 3.13Å; T347-I350 PolarHBondContact N-O 3.17Å
348	T	83.9	Confident	91.8	Very high	125 Å²	125	46 Å²	46	77%	0.767	24%	0.238	S	C	*	.	S	Bend	trans	-68.9	105.3	171.6	49	0	0	0	0	110.1
349	G	85.5	Confident	92.1	Very high	39 Å²	39	48 Å²	48	40%	0.402	25%	0.25	S	C	.	.	S	Bend	trans	104.6	-36.7	176.2	0	0	0	0	0	113.7	T347 R351	T347-G349 PolarHBondContact O-N 2.83Å; T347-G349 VanDerWaalsContact O-N 3.13Å; G349-R351 PolarHBondContact O-NH1 3.25Å
350	I	92.5	Very high	91.8	Very high	58 Å²	58	51.1 Å²	51.1	30%	0.297	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.7	-178.6	-57.9	174.3	0	0	0	111.2	L346 T347 Y367 L378	L346-I350 HydrophobicContact CD1-CG2 4.38Å; L346-I350 PolarHBondContact N-O 3.3Å; T347-I350 PolarHBondContact N-O 3.17Å; I350-Y367 HydrophobicContact CG2-CD1 4.36Å; I350-L378 HydrophobicContact CD1-CD1 4.39Å; I350-L378 HydrophobicContact CG1-CD1 4.3Å; I350-L378 HydrophobicContact CG1-CD2 3.93Å; I350-L378 HydrophobicContact CG2-CD1 3.78Å; I350-L378 HydrophobicContact CG2-CD2 4.39Å
351	R	95.1	Very high	91.5	Very high	33 Å²	33	53.4 Å²	53.4	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.6	176	-61	177.6	175.1	74.2	-5.6	110.3	G136 V137 A344 G349 Y367 Y368	G136-R351 PolarHBondContact O-NH2 2.73Å; V137-R351 WeakPolarHBondContact O-CD 3.27Å; V137-R351 PolarHBondContact O-NE 3.44Å; A344-R351 WeakPolarHBondContact O-CA 3.22Å; A344-R351 WeakPolarHBondContact O-CB 3.45Å; G349-R351 PolarHBondContact O-NH1 3.25Å; R351-Y367 WeakPolarHBondContact O-CA 3.44Å; R351-Y368 HydrophobicContact CB-CD1 4.02Å; R351-Y368 HydrophobicContact CB-CD2 4.01Å; R351-Y368 HydrophobicContact CB-CE1 3.53Å; R351-Y368 HydrophobicContact CB-CE2 3.53Å; R351-Y368 HydrophobicContact CB-CG 4.23Å; R351-Y368 VanDerWaalsContact CD-CE2 3.42Å; R351-Y368 HydrophobicContact CG-CE2 4.12Å; R351-Y368 PolarHBondContact N-O 3.4Å; R351-Y368 PolarHBondContact O-N 3.42Å
352	Q	94.9	Very high	91.4	Very high	16 Å²	16	58.5 Å²	58.5	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.1	-175.4	-170.2	179.4	56.1	0	0	109.7	L343 A344 L346 R354 V365 G366 Y367 Y368	L343-Q352 WeakPolarHBondContact CA-O 3.27Å; A344-Q352 PolarHBondContact N-O 3.36Å; A344-Q352 PolarHBondContact O-N 2.82Å; L346-Q352 HydrophobicContact CD1-CB 3.77Å; L346-Q352 HydrophobicContact CD1-CG 4.34Å; L346-Q352 HydrophobicContact CD2-CB 4.41Å; L346-Q352 HydrophobicContact CG-CB 3.89Å; Q352-R354 HydrophobicContact CG-CG 4.29Å; Q352-V365 HydrophobicContact CG-CG1 3.49Å; Q352-V365 VanDerWaalsContact CG-CG1 3.49Å; Q352-G366 WeakPolarHBondContact CA-O 3.42Å; Q352-Y367 HydrophobicContact CB-CD1 4.41Å; Q352-Y367 HydrophobicContact CG-CD1 4.34Å; Q352-Y367 HydrophobicContact CG-CE1 4.15Å; Q352-Y368 WeakPolarHBondContact O-CE1 3.34Å
353	V	95.6	Very high	91.3	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.2	169	56.2	0	0	0	0	108.8	F115 L118 V341 F342 L343 V365 G366 Y368	F115-V353 HydrophobicContact CD2-CB 4.43Å; F115-V353 HydrophobicContact CD2-CG1 4.49Å; F115-V353 HydrophobicContact CD2-CG2 3.84Å; F115-V353 HydrophobicContact CE2-CG2 4.2Å; L118-V353 HydrophobicContact CD1-CG1 3.7Å; L118-V353 HydrophobicContact CD1-CG2 4.17Å; V341-V353 HydrophobicContact CG1-CG2 3.19Å; F342-V353 CarbonylContact O-C 3.46Å; F342-V353 WeakPolarHBondContact O-CA 3.46Å; L343-V353 HydrophobicContact CD2-CB 3.89Å; L343-V353 HydrophobicContact CD2-CG2 3.82Å; V353-V365 CarbonylContact O-C 3.53Å; V353-V365 VanDerWaalsContact O-CA 3.32Å; V353-V365 WeakPolarHBondContact O-CA 3.33Å; V353-G366 VanDerWaalsContact CG1-C 3.47Å; V353-G366 WeakPolarHBondContact CG1-O 3.41Å; V353-G366 PolarHBondContact N-O 3.02Å; V353-G366 PolarHBondContact O-N 3.26Å; V353-Y368 HydrophobicContact CB-CD1 4.19Å; V353-Y368 HydrophobicContact CB-CE1 4.16Å; V353-Y368 HydrophobicContact CG1-CD1 4.34Å
354	R	95.1	Very high	91.2	Very high	90 Å²	90	64.1 Å²	64.1	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129	175.3	-55.1	-178.2	-177.6	-177.5	-0.1	109.3	V341 F342 Q352 L356 Y363 G364 V365	V341-R354 WeakPolarHBondContact CA-O 3.39Å; F342-R354 HydrophobicContact CB-CB 4.35Å; F342-R354 PolarHBondContact N-O 2.92Å; F342-R354 PolarHBondContact O-N 3.49Å; Q352-R354 HydrophobicContact CG-CG 4.29Å; R354-L356 PolarHBondContact O-N 3.23Å; R354-Y363 HydrophobicContact CB-CE2 4.37Å; R354-G364 WeakPolarHBondContact CA-O 3.35Å; R354-V365 HydrophobicContact CG-CG1 4.47Å; R354-V365 HydrophobicContact CG-CG2 4.21Å
355	L	94.5	Very high	91.2	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.9	176	-174.9	62.4	0	0	0	109.8	L118 L119 V341 H358 K361 Y363 G364	L118-L355 HydrophobicContact CD2-CB 4.48Å; L118-L355 WeakPolarHBondContact O-CD2 3.41Å; L119-L355 HydrophobicContact CD2-CD1 3.73Å; V341-L355 HydrophobicContact CG2-CD1 3.98Å; L355-H358 HydrophobicContact CD1-CB 4.2Å; L355-H358 HydrophobicContact CD2-CB 3.84Å; L355-H358 HydrophobicContact CG-CB 4.2Å; L355-K361 HydrophobicContact CD2-CB 3.88Å; L355-Y363 WeakPolarHBondContact O-CD2 3.35Å; L355-G364 PolarHBondContact N-O 2.87Å
356	L	91.1	Very high	91.3	Very high	83 Å²	83	60 Å²	60	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-36	-177.6	-62.1	-173.3	0	0	0	113.1	R340 F342 R354	R340-L356 HydrophobicContact CB-CB 4.17Å; R340-L356 PolarHBondContact O-N 3.49Å; F342-L356 HydrophobicContact CB-CD1 3.72Å; F342-L356 HydrophobicContact CB-CD2 4.02Å; F342-L356 HydrophobicContact CB-CG 3.73Å; F342-L356 HydrophobicContact CD2-CD1 4.33Å; F342-L356 HydrophobicContact CG-CD1 4.38Å; R354-L356 PolarHBondContact O-N 3.23Å
357	K	91.9	Very high	91.6	Very high	69 Å²	69	59.5 Å²	59.5	30%	0.3	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	128.1	-176.7	-169.5	-176.3	177.6	-171.4	0	110	G334 H335 C337 L339 R340	G334-K357 PolarHBondContact O-NZ 3.22Å; H335-K357 PolarHBondContact O-NZ 2.96Å; H335-K357 VanDerWaalsContact O-NZ 3.15Å; C337-K357 WeakPolarHBondContact O-CD 2.98Å; C337-K357 WeakPolarHBondContact O-CE 3.31Å; C337-K357 PolarHBondContact O-NZ 3.15Å; L339-K357 WeakPolarHBondContact CA-O 3.19Å; R340-K357 HydrophobicContact CB-CB 3.86Å; R340-K357 HydrophobicContact CG-CB 3.9Å; R340-K357 HydrophobicContact CG-CD 4.17Å; R340-K357 PolarHBondContact N-O 3.03Å; R340-K357 PolarHBondContact O-N 3.09Å
358	H	92.3	Very high	92	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.176	31%	0.313	C	S	.	.			trans	-152.8	136.4	170.7	-170.5	-62.6	0	0	0	109.7	L339 L355 G360 K361	L339-H358 HydrophobicContact CD2-CB 3.96Å; L339-H358 WeakPolarHBondContact CD2-CD2 3.46Å; L339-H358 VanDerWaalsContact CD2-CG 3.43Å; L339-H358 WeakPolarHBondContact CD2-NE2 3.41Å; L355-H358 HydrophobicContact CD1-CB 4.2Å; L355-H358 HydrophobicContact CD2-CB 3.84Å; L355-H358 HydrophobicContact CG-CB 4.2Å; H358-G360 PolarHBondContact ND1-N 3.37Å; H358-G360 VanDerWaalsContact ND1-N 3.11Å; H358-G360 PolarHBondContact O-N 3.32Å; H358-K361 HydrophobicContact CB-CB 4.01Å; H358-K361 PolarHBondContact ND1-N 2.91Å; H358-K361 VanDerWaalsContact ND1-N 3.15Å
359	P	87.2	Confident	92.6	Very high	85 Å²	85	52.9 Å²	52.9	55%	0.552	29%	0.289	S	S	*	.	S	Bend	trans	-70.8	10.2	-177	29.1	-37.8	0	0	0	115.3
360	G	86.2	Confident	93	Very high	66 Å²	66	53.2 Å²	53.2	68%	0.68	28%	0.282	S	S	*	.	S	Bend	trans	-175.7	4.1	-168.5	0	0	0	0	0	116	H358	H358-G360 PolarHBondContact ND1-N 3.37Å; H358-G360 VanDerWaalsContact ND1-N 3.11Å; H358-G360 PolarHBondContact O-N 3.32Å
361	K	89.5	Confident	93.1	Very high	87 Å²	87	52.6 Å²	52.6	38%	0.378	28%	0.281	S	S	.	.	S	Bend	trans	-121.4	139.2	172.1	-68.9	-72.9	-173.4	165.1	0	107.4	L355 H358	L355-K361 HydrophobicContact CD2-CB 3.88Å; H358-K361 HydrophobicContact CB-CB 4.01Å; H358-K361 PolarHBondContact ND1-N 2.91Å; H358-K361 VanDerWaalsContact ND1-N 3.15Å
362	P	92	Very high	93	Very high	108 Å²	108	56.6 Å²	56.6	70%	0.701	31%	0.309	S	S	*	.			trans	-67.6	166.4	176	31.1	-35.4	0	0	0	110.4	G364	P362-G364 PolarHBondContact O-N 3Å
363	Y	92.2	Very high	93	Very high	140 Å²	140	56.2 Å²	56.2	55%	0.549	31%	0.31	S	S	.	.			trans	-52.4	141.1	165.6	176.5	-92	0	0	0	109.7	R354 L355 V365	R354-Y363 HydrophobicContact CB-CE2 4.37Å; L355-Y363 WeakPolarHBondContact O-CD2 3.35Å; Y363-V365 HydrophobicContact CE1-CG2 3.73Å
364	G	93.4	Very high	93	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	31%	0.309	C	S	.	.			trans	-160.5	161.5	178.9	0	0	0	0	0	111.5	L118 R354 L355 P362	L118-G364 VanDerWaalsContact CD2-CA 3.5Å; R354-G364 WeakPolarHBondContact CA-O 3.35Å; L355-G364 PolarHBondContact N-O 2.87Å; P362-G364 PolarHBondContact O-N 3Å
365	V	94.8	Very high	93	Very high	57 Å²	57	51.9 Å²	51.9	35%	0.345	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	-177.8	-177.6	0	0	0	0	108.8	Q352 V353 R354 Y363	Q352-V365 HydrophobicContact CG-CG1 3.49Å; Q352-V365 VanDerWaalsContact CG-CG1 3.49Å; V353-V365 CarbonylContact O-C 3.53Å; V353-V365 VanDerWaalsContact O-CA 3.32Å; V353-V365 WeakPolarHBondContact O-CA 3.33Å; R354-V365 HydrophobicContact CG-CG1 4.47Å; R354-V365 HydrophobicContact CG-CG2 4.21Å; Y363-V365 HydrophobicContact CE1-CG2 3.73Å
366	G	93.7	Very high	93	Very high	4 Å²	4	54.7 Å²	54.7	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	172.7	176.1	0	0	0	0	0	110.3	Q352 V353	Q352-G366 WeakPolarHBondContact CA-O 3.42Å; V353-G366 VanDerWaalsContact CG1-C 3.47Å; V353-G366 WeakPolarHBondContact CG1-O 3.41Å; V353-G366 PolarHBondContact N-O 3.02Å; V353-G366 PolarHBondContact O-N 3.26Å
367	Y	95.3	Very high	93.1	Very high	61 Å²	61	53.1 Å²	53.1	24%	0.239	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.5	-175.3	-59.2	-87.4	0	0	0	110.7	S114 L346 I350 R351 Q352 L378 L388	S114-Y367 PolarHBondContact OG-N 3.15Å; S114-Y367 VanDerWaalsContact OG-N 3.11Å; S114-Y367 PolarHBondContact OG-O 3.36Å; L346-Y367 HydrophobicContact CD1-CD1 3.9Å; L346-Y367 HydrophobicContact CD1-CE1 3.53Å; I350-Y367 HydrophobicContact CG2-CD1 4.36Å; R351-Y367 WeakPolarHBondContact O-CA 3.44Å; Q352-Y367 HydrophobicContact CB-CD1 4.41Å; Q352-Y367 HydrophobicContact CG-CD1 4.34Å; Q352-Y367 HydrophobicContact CG-CE1 4.15Å; Y367-L378 VanDerWaalsContact CB-CD1 3.46Å; Y367-L378 HydrophobicContact CG-CD1 4.18Å; Y367-L388 HydrophobicContact CE1-CD2 4.01Å; Y367-L388 HydrophobicContact CE2-CD2 4.43Å
368	Y	96	Very high	92.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164	-178.9	68.4	-81.9	0	0	0	111	V137 F142 L343 R351 Q352 V353 I370 I375 R376	V137-Y368 PolarHBondContact O-OH 2.93Å; F142-Y368 HydrophobicContact CE2-CD1 4.44Å; F142-Y368 AromaticContact CE2-CD2 3.91Å; F142-Y368 HydrophobicContact CE2-CD2 3.91Å; F142-Y368 HydrophobicContact CE2-CE1 4.17Å; F142-Y368 AromaticContact CE2-CE2 3.59Å; F142-Y368 HydrophobicContact CE2-CE2 3.59Å; F142-Y368 HydrophobicContact CE2-CG 4.33Å; F142-Y368 AromaticContact CE2-CZ 3.75Å; F142-Y368 HydrophobicContact CZ-CD1 4.29Å; F142-Y368 HydrophobicContact CZ-CD2 4.08Å; F142-Y368 HydrophobicContact CZ-CE1 4.42Å; F142-Y368 HydrophobicContact CZ-CE2 4.21Å; F142-Y368 HydrophobicContact CZ-CG 4.12Å; L343-Y368 HydrophobicContact CD2-CE1 3.91Å; R351-Y368 HydrophobicContact CB-CD1 4.02Å; R351-Y368 HydrophobicContact CB-CD2 4.01Å; R351-Y368 HydrophobicContact CB-CE1 3.53Å; R351-Y368 HydrophobicContact CB-CE2 3.53Å; R351-Y368 HydrophobicContact CB-CG 4.23Å; R351-Y368 VanDerWaalsContact CD-CE2 3.42Å; R351-Y368 HydrophobicContact CG-CE2 4.12Å; R351-Y368 PolarHBondContact N-O 3.4Å; R351-Y368 PolarHBondContact O-N 3.42Å; Q352-Y368 WeakPolarHBondContact O-CE1 3.34Å; V353-Y368 HydrophobicContact CB-CD1 4.19Å; V353-Y368 HydrophobicContact CB-CE1 4.16Å; V353-Y368 HydrophobicContact CG1-CD1 4.34Å; Y368-I370 HydrophobicContact CD2-CG1 4.5Å; Y368-I370 HydrophobicContact CE2-CG1 4.34Å; Y368-I375 HydrophobicContact CD2-CD1 4.31Å; Y368-I375 HydrophobicContact CD2-CG2 4.06Å; Y368-I375 HydrophobicContact CE2-CD1 4.46Å; Y368-I375 HydrophobicContact CG-CG2 4.4Å; Y368-R376 WeakPolarHBondContact CA-O 3.29Å
369	Q	95.6	Very high	91.8	Very high	57 Å²	57	56.9 Å²	56.9	27%	0.266	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.5	172.2	55.4	177.2	-1.6	0	0	110.2	T371 R376 D377 L378	Q369-T371 HydrophobicContact CG-CG2 4.09Å; Q369-R376 HydrophobicContact CG-CB 4.38Å; Q369-R376 WeakPolarHBondContact CG-O 3.4Å; Q369-R376 PolarHBondContact N-O 3.36Å; Q369-R376 PolarHBondContact O-N 3.1Å; Q369-D377 PolarHBondContact NE2-O 2.93Å; Q369-L378 HydrophobicContact CB-CD2 3.95Å; Q369-L378 HydrophobicContact CG-CD2 4.14Å
370	I	95.1	Very high	90.1	Very high	46 Å²	46	59 Å²	59	24%	0.236	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.1	177.2	-51	-175.9	0	0	0	107.2	Q141 Y368 I375	Q141-I370 HydrophobicContact CB-CD1 4.3Å; Q141-I370 HydrophobicContact CB-CG2 4.44Å; Q141-I370 HydrophobicContact CG-CD1 4.08Å; Q141-I370 HydrophobicContact CG-CG2 4.1Å; Y368-I370 HydrophobicContact CD2-CG1 4.5Å; Y368-I370 HydrophobicContact CE2-CG1 4.34Å; I370-I375 HydrophobicContact CD1-CD1 4.3Å; I370-I375 HydrophobicContact CG1-CD1 3.82Å
371	T	94.8	Very high	87.9	Confident	45 Å²	45	62.2 Å²	62.2	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	174.6	-178.1	68.8	0	0	0	0	110.4	R176 Q369 G373 G374 R376	R176-T371 PolarHBondContact NH1-O 3.49Å; R176-T371 PolarHBondContact NH2-O 2.94Å; Q369-T371 HydrophobicContact CG-CG2 4.09Å; T371-G373 PolarHBondContact O-N 3.41Å; T371-G373 PolarHBondContact OG1-N 3Å; T371-G374 PolarHBondContact N-O 2.97Å; T371-G374 PolarHBondContact O-N 2.94Å; T371-G374 PolarHBondContact OG1-N 3.46Å; T371-G374 PolarHBondContact OG1-O 3.27Å; T371-R376 HydrophobicContact CG2-CB 4.35Å; T371-R376 HydrophobicContact CG2-CG 4.33Å
372	T	92.9	Very high	85.2	Confident	117 Å²	117	65.6 Å²	65.6	72%	0.718	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.2	170.9	48.9	0	0	0	0	112.2	R176 G374	R176-T372 PolarHBondContact NH1-O 3.09Å; T372-G374 VanDerWaalsContact C-N 3.27Å; T372-G374 PolarHBondContact O-N 3.31Å
373	G	93.6	Very high	82.4	Confident	9 Å²	9	69.7 Å²	69.7	9%	0.093	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.6	174.9	0	0	0	0	0	115.3	Q145 A183 T371 R376	Q145-G373 PolarHBondContact OE1-O 2.9Å; A183-G373 VanDerWaalsContact CB-CA 3.49Å; T371-G373 PolarHBondContact O-N 3.41Å; T371-G373 PolarHBondContact OG1-N 3Å; G373-R376 VanDerWaalsContact O-CZ 3.29Å; G373-R376 PolarHBondContact O-NH1 3.15Å; G373-R376 VanDerWaalsContact O-NH1 3.09Å; G373-R376 PolarHBondContact O-NH2 3.19Å
374	G	95.3	Very high	79.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.7	-150	-179.5	0	0	0	0	0	113.8	T371 T372	T371-G374 PolarHBondContact N-O 2.97Å; T371-G374 PolarHBondContact O-N 2.94Å; T371-G374 PolarHBondContact OG1-N 3.46Å; T371-G374 PolarHBondContact OG1-O 3.27Å; T372-G374 VanDerWaalsContact C-N 3.27Å; T372-G374 PolarHBondContact O-N 3.31Å
375	I	95.9	Very high	76.3	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.2	-179.4	-55.6	-60.6	0	0	0	109.5	C112 Q141 F142 Q145 Y368 I370	C112-I375 HydrophobicContact CB-CG2 3.9Å; Q141-I375 HydrophobicContact CB-CD1 3.72Å; Q141-I375 HydrophobicContact CB-CG1 4.44Å; F142-I375 HydrophobicContact CD1-CG1 4.1Å; F142-I375 HydrophobicContact CD1-CG2 4.38Å; F142-I375 HydrophobicContact CD2-CD1 4.09Å; F142-I375 HydrophobicContact CD2-CG1 4.21Å; F142-I375 HydrophobicContact CE1-CB 4.44Å; F142-I375 HydrophobicContact CE1-CG1 4.27Å; F142-I375 HydrophobicContact CE1-CG2 3.74Å; F142-I375 HydrophobicContact CE2-CD1 4.16Å; F142-I375 HydrophobicContact CE2-CG1 4.37Å; F142-I375 HydrophobicContact CE2-CG2 4.29Å; F142-I375 HydrophobicContact CG-CD1 4.44Å; F142-I375 HydrophobicContact CG-CG1 4.07Å; F142-I375 HydrophobicContact CZ-CG1 4.41Å; F142-I375 HydrophobicContact CZ-CG2 3.69Å; Q145-I375 HydrophobicContact CB-CG1 4.48Å; Y368-I375 HydrophobicContact CD2-CD1 4.31Å; Y368-I375 HydrophobicContact CD2-CG2 4.06Å; Y368-I375 HydrophobicContact CE2-CD1 4.46Å; Y368-I375 HydrophobicContact CG-CG2 4.4Å; I370-I375 HydrophobicContact CD1-CD1 4.3Å; I370-I375 HydrophobicContact CG1-CD1 3.82Å
376	R	94.8	Very high	73.4	Confident	61 Å²	61	80.4 Å²	80.4	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.6	178.7	-64	-63.8	-178.6	-80.3	-2.5	111.4	Y368 Q369 T371 G373	Y368-R376 WeakPolarHBondContact CA-O 3.29Å; Q369-R376 HydrophobicContact CG-CB 4.38Å; Q369-R376 WeakPolarHBondContact CG-O 3.4Å; Q369-R376 PolarHBondContact N-O 3.36Å; Q369-R376 PolarHBondContact O-N 3.1Å; T371-R376 HydrophobicContact CG2-CB 4.35Å; T371-R376 HydrophobicContact CG2-CG 4.33Å; G373-R376 VanDerWaalsContact O-CZ 3.29Å; G373-R376 PolarHBondContact O-NH1 3.15Å; G373-R376 VanDerWaalsContact O-NH1 3.09Å; G373-R376 PolarHBondContact O-NH2 3.19Å
377	D	91.6	Very high	70.7	Confident	51 Å²	51	89.2 Å²	89.2	27%	0.273	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	158.3	170.1	-63.6	-57.7	0	0	0	112.2	C112 R113 S114 Q369 I379	C112-D377 VanDerWaalsContact C-OD1 3.32Å; C112-D377 WeakPolarHBondContact CA-OD1 3.36Å; C112-D377 PolarHBondContact SG-OD1 3.03Å; R113-D377 VanDerWaalsContact CB-OD2 3.24Å; R113-D377 WeakPolarHBondContact CB-OD2 3.2Å; R113-D377 PolarHBondContact N-OD1 3.46Å; R113-D377 PolarHBondContact N-OD2 3.36Å; S114-D377 PolarHBondContact N-OD1 2.76Å; Q369-D377 PolarHBondContact NE2-O 2.93Å; D377-I379 PolarHBondContact O-N 3.09Å
378	L	87.2	Confident	67.9	Low	48 Å²	48	91 Å²	91	25%	0.251	47%	0.465	S	S	.	.			trans	-74.4	113.5	164	-63.1	-178.3	0	0	0	108.8	I350 Y367 Q369 Q380	I350-L378 HydrophobicContact CD1-CD1 4.39Å; I350-L378 HydrophobicContact CG1-CD1 4.3Å; I350-L378 HydrophobicContact CG1-CD2 3.93Å; I350-L378 HydrophobicContact CG2-CD1 3.78Å; I350-L378 HydrophobicContact CG2-CD2 4.39Å; Y367-L378 VanDerWaalsContact CB-CD1 3.46Å; Y367-L378 HydrophobicContact CG-CD1 4.18Å; Q369-L378 HydrophobicContact CB-CD2 3.95Å; Q369-L378 HydrophobicContact CG-CD2 4.14Å; L378-Q380 PolarHBondContact O-N 3.36Å
379	I	71.3	Confident	65.2	Low	138 Å²	138	93.7 Å²	93.7	71%	0.708	48%	0.482	S	S	*	.			trans	-71.6	103.4	169.8	-56.9	172.3	0	0	0	106.6	D377 N381	D377-I379 PolarHBondContact O-N 3.09Å; I379-N381 VanDerWaalsContact C-N 3.27Å; I379-N381 PolarHBondContact O-N 3.41Å
380	Q	51.8	Low	62.5	Low	128 Å²	128	101.9 Å²	101.9	60%	0.598	52%	0.521	S	S	*	.			trans	-66.3	93.8	163.5	-73.7	-174	-0.6	0	0	107.3	L378 N382	L378-Q380 PolarHBondContact O-N 3.36Å; Q380-N382 PolarHBondContact O-N 3.45Å; Q380-N382 VanDerWaalsContact O-N 3.09Å
381	N	38.7	Very low	60.9	Low	134 Å²	134	104.7 Å²	104.7	72%	0.717	54%	0.535	S	S	*	.			trans	-56.8	117.8	158.4	-83.9	-20.6	0	0	0	105.9	I379 K383	I379-N381 VanDerWaalsContact C-N 3.27Å; I379-N381 PolarHBondContact O-N 3.41Å; N381-K383 PolarHBondContact O-N 3.48Å
382	N	32.4	Very low	59.1	Low	158 Å²	158	107.8 Å²	107.8	85%	0.845	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	45.1	-177.4	-84.4	-27.3	0	0	0	114.6	Q380	Q380-N382 PolarHBondContact O-N 3.45Å; Q380-N382 VanDerWaalsContact O-N 3.09Å
383	K	34.1	Very low	57.2	Low	195 Å²	195	107.3 Å²	107.3	85%	0.848	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.2	-1.4	-179.6	-72.1	-167.4	175.4	-178.2	0	115.4	N381	N381-K383 PolarHBondContact O-N 3.48Å
384	C	29.2	Very low	55.1	Low	116 Å²	116	113.1 Å²	113.1	78%	0.784	57%	0.565	S	S	*	*			trans	-139.3	69.3	176.1	-95.5	0	0	0	0	113.2	K386	C384-K386 PolarHBondContact O-N 3.35Å
385	N	29.1	Very low	52.6	Low	135 Å²	135	120.2 Å²	120.2	72%	0.722	60%	0.601	S	S	*	*			trans	-90.8	74.2	162.6	-92.8	-9.2	0	0	0	110.1
386	K	33.8	Very low	49.7	Very low	186 Å²	186	128.2 Å²	128.2	81%	0.809	64%	0.641	S	S	*	*	S	Bend	trans	-158.9	121.2	153.6	-65.6	-163.8	-179	177.1	0	106.8	C384	C384-K386 PolarHBondContact O-N 3.35Å
387	H	36.3	Very low	46.5	Very low	188 Å²	188	133 Å²	133	87%	0.87	67%	0.67	S	S	*	*			trans	98.7	57.5	-179.3	-52.8	-61	0	0	0	117.6
388	L	36.7	Very low	43	Very low	100 Å²	100	139.3 Å²	139.3	52%	0.524	70%	0.701	S	S	.	*			trans	-120.5	131	137.6	-86.6	121.2	0	0	0	106.9	Y367	Y367-L388 HydrophobicContact CE1-CD2 4.01Å; Y367-L388 HydrophobicContact CE2-CD2 4.43Å
389	P	39.2	Very low	39.3	Very low	55 Å²	55	146.9 Å²	146.9	36%	0.357	74%	0.738	S	S	.	*			trans	-64.6	137.2	169.4	26.6	-29.2	0	0	0	108.9
390	E	39.2	Very low	36.4	Very low	230 Å²	230	147.7 Å²	147.7	100%	1.075	74%	0.741	S	S	*	*			trans	-57.1	0	177.5	-74.3	-177.6	151.5	0	0	113.7	V312	V312-E390 VanDerWaalsContact CG1-C 3.5Å; V312-E390 HydrophobicContact CG1-CB 3.91Å; V312-E390 WeakPolarHBondContact CG1-O 3.47Å

Retrieved 390 of 390 residues in 606.2 ms (Link to these results)

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