A0A3Q0KPH4_SCHMA Loading...

protein-serine/threonine phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 378 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.6	Low	85.9	Confident	217 Å²	217	87.7 Å²	87.7	100%	1.069	53%	0.528	S	S	*	.				0	120.4	0	-73.6	-164.7	-89.7	0	0	106.8
2	G	67.5	Low	86.7	Confident	51 Å²	51	84.5 Å²	84.5	53%	0.526	50%	0.502	S	S	.	.			trans	-68.3	162.6	173.7	0	0	0	0	0	111.1
3	G	83.8	Confident	87.6	Confident	42 Å²	42	87.1 Å²	87.1	43%	0.433	50%	0.499	S	S	.	.			trans	-63.5	156.2	173.3	0	0	0	0	0	111.6	L34	G3-L34 WeakPolarHBondContact O-CG 3.16Å
4	L	93	Very high	88.4	Confident	90 Å²	90	85.4 Å²	85.4	47%	0.471	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.9	172.3	-60.8	179.1	0	0	0	109.8	W32	L4-W32 CarbonylContact C-O 2.88Å; L4-W32 VanDerWaalsContact CA-O 3.31Å; L4-W32 WeakPolarHBondContact CA-O 3.48Å; L4-W32 HydrophobicContact CD2-CB 4.01Å
5	L	93	Very high	89	Confident	44 Å²	44	83.1 Å²	83.1	23%	0.23	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	162.1	170.3	-64.5	172.8	0	0	0	111.1	S7 K9 W32 R33 L34	L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 WeakPolarHBondContact CB-O 3.34Å; L5-K9 HydrophobicContact CD1-CD 4.44Å; L5-K9 HydrophobicContact CD1-CG 3.91Å; L5-W32 PolarHBondContact N-O 2.82Å; L5-R33 WeakPolarHBondContact CD1-O 3.39Å; L5-R33 WeakPolarHBondContact CG-O 3.29Å; L5-L34 HydrophobicContact CD2-CD2 3.81Å; L5-L34 HydrophobicContact CG-CD2 4.3Å
6	S	91.4	Very high	89.6	Confident	123 Å²	123	82.6 Å²	82.6	86%	0.86	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	-23.9	171.7	54.4	0	0	0	0	113.3
7	S	89.6	Confident	90.1	Very high	70 Å²	70	79.1 Å²	79.1	49%	0.49	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.9	175.7	57.2	0	0	0	0	108.7	L5	L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 WeakPolarHBondContact CB-O 3.34Å
8	P	92	Very high	90.6	Very high	34 Å²	34	79.8 Å²	79.8	22%	0.221	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	149.6	179.4	30.1	-31	0	0	0	110.3	T10 G31 W32 L278	P8-T10 HydrophobicContact CB-CG2 4.18Å; P8-T10 HydrophobicContact CG-CG2 4.05Å; P8-G31 CarbonylContact C-O 3.37Å; P8-G31 VanDerWaalsContact CA-O 3.28Å; P8-G31 WeakPolarHBondContact CA-O 3.32Å; P8-W32 HydrophobicContact CB-CD2 3.9Å; P8-W32 HydrophobicContact CB-CE3 4.5Å; P8-W32 HydrophobicContact CB-CG 4.05Å; P8-W32 HydrophobicContact CB-CZ2 4.35Å; P8-W32 HydrophobicContact CG-CD2 4.3Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.85Å; P8-L278 HydrophobicContact CB-CD1 4.11Å; P8-L278 HydrophobicContact CG-CD1 4.42Å; P8-L278 HydrophobicContact CG-CD2 4.47Å
9	K	93.3	Very high	91	Very high	101 Å²	101	76.6 Å²	76.6	44%	0.439	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.8	164	-67.4	-169.7	-162.3	163.3	0	108.9	L5 M29 Q30 G31	L5-K9 HydrophobicContact CD1-CD 4.44Å; L5-K9 HydrophobicContact CD1-CG 3.91Å; K9-M29 WeakPolarHBondContact O-CG 3.46Å; K9-Q30 HydrophobicContact CB-CB 4.18Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.14Å; K9-G31 PolarHBondContact N-O 3.41Å; K9-G31 PolarHBondContact O-N 3.35Å
10	T	94	Very high	91.3	Very high	48 Å²	48	74.9 Å²	74.9	29%	0.294	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-0.7	-171.8	57.5	0	0	0	0	114.4	P8 K12 M29 L278	P8-T10 HydrophobicContact CB-CG2 4.18Å; P8-T10 HydrophobicContact CG-CG2 4.05Å; T10-K12 VanDerWaalsContact O-CG 3.31Å; T10-K12 WeakPolarHBondContact O-CG 3.35Å; T10-K12 PolarHBondContact O-N 3.28Å; T10-K12 PolarHBondContact O-NZ 2.91Å; T10-M29 HydrophobicContact CG2-SD 4.26Å; T10-L278 HydrophobicContact CG2-CD2 3.67Å
11	D	94.4	Very high	91.5	Very high	145 Å²	145	73.5 Å²	73.5	78%	0.775	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	132.7	168.6	-67.3	-51.4	0	0	0	109.9
12	K	96.2	Very high	93.7	Very high	49 Å²	49	63.4 Å²	63.4	21%	0.213	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.9	-176	-53.8	-174.3	179.8	62.6	0	110.9	T10 N14 S28 M29 N271 D275	T10-K12 VanDerWaalsContact O-CG 3.31Å; T10-K12 WeakPolarHBondContact O-CG 3.35Å; T10-K12 PolarHBondContact O-N 3.28Å; T10-K12 PolarHBondContact O-NZ 2.91Å; K12-N14 PolarHBondContact O-ND2 3.19Å; K12-S28 VanDerWaalsContact CA-O 3.31Å; K12-S28 WeakPolarHBondContact CA-O 3.43Å; K12-M29 HydrophobicContact CG-CB 4.14Å; K12-M29 HydrophobicContact CG-CG 4.24Å; K12-M29 HydrophobicContact CG-SD 4.31Å; K12-N271 HydrophobicContact CD-CB 3.89Å; K12-N271 WeakPolarHBondContact CD-OD1 3.32Å; K12-D275 WeakPolarHBondContact CE-OD1 3.33Å; K12-D275 IonicContact NZ-OD1 2.84Å; K12-D275 PolarHBondContact NZ-OD1 3.24Å; K12-D275 IonicContact NZ-OD2 3.25Å
13	Y	98.2	Very high	95.2	Very high	118 Å²	118	63 Å²	63	46%	0.463	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.2	160.7	174.3	-90.1	0	0	0	108.6	E15 S27 S28 H40	Y13-E15 HydrophobicContact CE1-CB 3.8Å; Y13-E15 PolarHBondContact OH-OE2 2.93Å; Y13-S27 VanDerWaalsContact O-CA 3.31Å; Y13-S27 WeakPolarHBondContact O-CA 3.5Å; Y13-S28 PolarHBondContact N-O 2.93Å; Y13-S28 PolarHBondContact O-N 2.9Å; Y13-S28 VanDerWaalsContact O-N 3.12Å; Y13-H40 AromaticContact CD1-CE1 3.47Å; Y13-H40 VanDerWaalsContact CD1-CE1 3.47Å; Y13-H40 WeakPolarHBondContact CD1-CE1 3.43Å; Y13-H40 AromaticContact CD1-NE2 3.67Å; Y13-H40 AromaticContact CE1-CE1 3.49Å; Y13-H40 VanDerWaalsContact CE1-CE1 3.49Å; Y13-H40 WeakPolarHBondContact CE1-CE1 3.29Å; Y13-H40 AromaticContact CE1-NE2 3.17Å; Y13-H40 WeakPolarHBondContact CE1-NE2 3.42Å
14	N	98.3	Very high	95.9	Very high	64 Å²	64	62.1 Å²	62.1	34%	0.342	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.5	178.7	-71.8	-79.8	0	0	0	110.3	K12 I26 N271	K12-N14 PolarHBondContact O-ND2 3.19Å; N14-I26 WeakPolarHBondContact CA-O 3.26Å; N14-N271 PolarHBondContact ND2-ND2 2.84Å; N14-N271 VanDerWaalsContact OD1-CG 3.25Å; N14-N271 PolarHBondContact OD1-ND2 3.05Å; N14-N271 PolarHBondContact OD1-OD1 3.37Å
15	E	98.4	Very high	96.2	Very high	50 Å²	50	57.8 Å²	57.8	23%	0.234	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.3	171.9	-171.2	179.4	138.4	0	0	109.3	Y13 Y24 G25 I26	Y13-E15 HydrophobicContact CE1-CB 3.8Å; Y13-E15 PolarHBondContact OH-OE2 2.93Å; E15-Y24 HydrophobicContact CG-CE2 3.98Å; E15-Y24 PolarHBondContact OE1-OH 2.99Å; E15-G25 CarbonylContact O-C 3.59Å; E15-G25 WeakPolarHBondContact O-CA 3.47Å; E15-I26 HydrophobicContact CB-CB 4.08Å; E15-I26 HydrophobicContact CB-CD1 4.04Å; E15-I26 HydrophobicContact CB-CG1 4.18Å; E15-I26 HydrophobicContact CG-CD1 4.4Å; E15-I26 PolarHBondContact N-O 3.01Å; E15-I26 PolarHBondContact O-N 3.36Å
16	T	98.2	Very high	96.4	Very high	75 Å²	75	55.7 Å²	55.7	46%	0.46	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.3	172.6	59.1	0	0	0	0	110	Y24 D265 S267	T16-Y24 WeakPolarHBondContact CA-O 3.15Å; T16-D265 WeakPolarHBondContact CG2-OD1 3.19Å; T16-S267 VanDerWaalsContact CG2-CB 3.44Å; T16-S267 WeakPolarHBondContact CG2-OG 3.29Å
17	G	98.2	Very high	96.8	Very high	24 Å²	24	49.9 Å²	49.9	25%	0.247	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	-179.4	174.9	0	0	0	0	0	113	R23 Y24	G17-R23 CarbonylContact O-C 3.58Å; G17-R23 WeakPolarHBondContact O-CA 3.42Å; G17-Y24 VanDerWaalsContact C-CE1 3.46Å; G17-Y24 PolarHBondContact N-O 2.87Å; G17-Y24 WeakPolarHBondContact O-CD1 3.3Å; G17-Y24 PolarHBondContact O-N 3.36Å
18	C	98.2	Very high	97.2	Very high	92 Å²	92	46.8 Å²	46.8	62%	0.622	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.8	179	64	0	0	0	0	112	L22 R23 T44	C18-L22 CarbonylContact C-O 3.56Å; C18-L22 WeakPolarHBondContact CA-O 3.26Å; C18-L22 VanDerWaalsContact CB-O 3.26Å; C18-L22 WeakPolarHBondContact CB-O 3.42Å; C18-R23 HydrophobicContact CB-CG 4.16Å; C18-T44 PolarHBondContact O-OG1 3.48Å
19	G	97.9	Very high	97.5	Very high	19 Å²	19	45.2 Å²	45.2	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	157.1	176.2	0	0	0	0	0	110.7	G21 L22	G19-G21 PolarHBondContact O-N 2.88Å; G19-G21 VanDerWaalsContact O-N 3.11Å; G19-L22 PolarHBondContact N-O 2.93Å; G19-L22 WeakPolarHBondContact O-CA 3.39Å; G19-L22 WeakPolarHBondContact O-CB 3.24Å; G19-L22 PolarHBondContact O-N 2.93Å
20	N	97	Very high	97.7	Very high	41 Å²	41	41.7 Å²	41.7	22%	0.219	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.6	-177.8	-66.7	-8.8	0	0	0	114.9	L22 T44 Q45 K51 D52 W53 S54	N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.3Å; N20-T44 VanDerWaalsContact CG-O 3.27Å; N20-T44 PolarHBondContact ND2-O 3.33Å; N20-Q45 PolarHBondContact OD1-NE2 2.88Å; N20-K51 PolarHBondContact ND2-O 3.41Å; N20-K51 PolarHBondContact OD1-O 3.26Å; N20-D52 VanDerWaalsContact ND2-CA 3.31Å; N20-D52 WeakPolarHBondContact ND2-CA 3.46Å; N20-D52 PolarHBondContact ND2-O 3.31Å; N20-W53 PolarHBondContact ND2-N 2.86Å; N20-W53 PolarHBondContact ND2-O 2.89Å; N20-S54 PolarHBondContact ND2-OG 2.87Å
21	G	96.6	Very high	97.8	Very high	47 Å²	47	39.4 Å²	39.4	49%	0.485	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	17.3	-177.3	0	0	0	0	0	114	G19	G19-G21 PolarHBondContact O-N 2.88Å; G19-G21 VanDerWaalsContact O-N 3.11Å
22	L	98.4	Very high	97.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.5	178.2	-50.3	176.5	0	0	0	109.7	C18 G19 N20 F56 I136 V291 F293	C18-L22 CarbonylContact C-O 3.56Å; C18-L22 WeakPolarHBondContact CA-O 3.26Å; C18-L22 VanDerWaalsContact CB-O 3.26Å; C18-L22 WeakPolarHBondContact CB-O 3.42Å; G19-L22 PolarHBondContact N-O 2.93Å; G19-L22 WeakPolarHBondContact O-CA 3.39Å; G19-L22 WeakPolarHBondContact O-CB 3.24Å; G19-L22 PolarHBondContact O-N 2.93Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.3Å; L22-F56 HydrophobicContact CD1-CE2 3.87Å; L22-F56 HydrophobicContact CD1-CZ 4.29Å; L22-I136 HydrophobicContact CD1-CB 4.47Å; L22-I136 HydrophobicContact CD1-CD1 3.82Å; L22-I136 HydrophobicContact CD1-CG2 4.29Å; L22-V291 HydrophobicContact CB-CG1 4.19Å; L22-V291 HydrophobicContact CD1-CG1 4.15Å; L22-V291 HydrophobicContact CD2-CG1 4.37Å; L22-V291 HydrophobicContact CG-CG1 4.47Å; L22-F293 HydrophobicContact CD2-CD1 3.25Å; L22-F293 HydrophobicContact CD2-CE1 3.36Å; L22-F293 HydrophobicContact CD2-CG 4.04Å; L22-F293 HydrophobicContact CD2-CZ 4.2Å
23	R	98.5	Very high	97.9	Very high	43 Å²	43	37.1 Å²	37.1	16%	0.162	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.8	157.9	-63	178.6	-60.5	135.2	2.3	108.1	G17 C18 D264 L266 V291 A292 R298	G17-R23 CarbonylContact O-C 3.58Å; G17-R23 WeakPolarHBondContact O-CA 3.42Å; C18-R23 HydrophobicContact CB-CG 4.16Å; R23-D264 PolarHBondContact NH1-O 2.83Å; R23-D264 IonicContact NH1-OD1 3.19Å; R23-L266 HydrophobicContact CB-CD1 3.76Å; R23-V291 CarbonylContact O-C 3.6Å; R23-V291 WeakPolarHBondContact O-CA 3.46Å; R23-A292 PolarHBondContact N-O 3.48Å; R23-A292 PolarHBondContact O-N 2.96Å; R23-R298 VanDerWaalsContact CZ-CZ 3.47Å; R23-R298 VanDerWaalsContact NE-CZ 3.32Å; R23-R298 VanDerWaalsContact NH2-CZ 3.29Å
24	Y	98.8	Very high	97.9	Very high	23 Å²	23	36.3 Å²	36.3	9%	0.09	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.3	171.4	72.9	-90.5	0	0	0	111.8	E15 T16 G17 I26 A42 T44 F56 L290	E15-Y24 HydrophobicContact CG-CE2 3.98Å; E15-Y24 PolarHBondContact OE1-OH 2.99Å; T16-Y24 WeakPolarHBondContact CA-O 3.15Å; G17-Y24 VanDerWaalsContact C-CE1 3.46Å; G17-Y24 PolarHBondContact N-O 2.87Å; G17-Y24 WeakPolarHBondContact O-CD1 3.3Å; G17-Y24 PolarHBondContact O-N 3.36Å; Y24-I26 HydrophobicContact CD2-CD1 4.25Å; Y24-I26 HydrophobicContact CD2-CG1 3.87Å; Y24-I26 HydrophobicContact CE2-CD1 4.05Å; Y24-I26 HydrophobicContact CE2-CG1 4.05Å; Y24-A42 HydrophobicContact CD2-CB 3.87Å; Y24-A42 HydrophobicContact CE1-CB 4.31Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; Y24-A42 HydrophobicContact CG-CB 4.39Å; Y24-T44 HydrophobicContact CD1-CG2 3.62Å; Y24-T44 HydrophobicContact CE1-CG2 3.53Å; Y24-F56 AromaticContact CD1-CE1 3.62Å; Y24-F56 HydrophobicContact CD1-CE1 3.62Å; Y24-F56 HydrophobicContact CD1-CZ 4.14Å; Y24-F56 HydrophobicContact CD2-CE1 4.34Å; Y24-F56 HydrophobicContact CE1-CE1 4.34Å; Y24-F56 HydrophobicContact CG-CD1 4.44Å; Y24-F56 AromaticContact CG-CE1 3.62Å; Y24-F56 HydrophobicContact CG-CE1 3.62Å; Y24-F56 HydrophobicContact CG-CZ 4.41Å; Y24-L290 CarbonylContact C-O 3.47Å; Y24-L290 WeakPolarHBondContact CA-O 3.49Å; Y24-L290 WeakPolarHBondContact CB-O 3.31Å
25	G	98.8	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.3	166.2	0	0	0	0	0	109.3	E15 L290	E15-G25 CarbonylContact O-C 3.59Å; E15-G25 WeakPolarHBondContact O-CA 3.47Å; G25-L290 PolarHBondContact N-O 3.45Å; G25-L290 PolarHBondContact O-N 2.84Å
26	I	98.8	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.3	175.1	-48.9	-177.1	0	0	0	107.5	N14 E15 Y24 A42 M288 V289	N14-I26 WeakPolarHBondContact CA-O 3.26Å; E15-I26 HydrophobicContact CB-CB 4.08Å; E15-I26 HydrophobicContact CB-CD1 4.04Å; E15-I26 HydrophobicContact CB-CG1 4.18Å; E15-I26 HydrophobicContact CG-CD1 4.4Å; E15-I26 PolarHBondContact N-O 3.01Å; E15-I26 PolarHBondContact O-N 3.36Å; Y24-I26 HydrophobicContact CD2-CD1 4.25Å; Y24-I26 HydrophobicContact CD2-CG1 3.87Å; Y24-I26 HydrophobicContact CE2-CD1 4.05Å; Y24-I26 HydrophobicContact CE2-CG1 4.05Å; I26-A42 HydrophobicContact CD1-CB 3.6Å; I26-M288 WeakPolarHBondContact CA-O 3.17Å; I26-M288 WeakPolarHBondContact CG2-O 3.44Å; I26-V289 HydrophobicContact CD1-CG2 4.25Å; I26-V289 HydrophobicContact CG1-CG1 4.31Å; I26-V289 HydrophobicContact CG1-CG2 4.07Å; I26-V289 HydrophobicContact CG2-CG2 4.12Å
27	S	98.6	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.3	160.3	-175.8	0	0	0	0	111.1	Y13 C270 N271 I274 S287 M288	Y13-S27 VanDerWaalsContact O-CA 3.31Å; Y13-S27 WeakPolarHBondContact O-CA 3.5Å; S27-C270 VanDerWaalsContact CB-CB 3.47Å; S27-N271 WeakPolarHBondContact CB-OD1 3.01Å; S27-N271 PolarHBondContact OG-OD1 3.36Å; S27-I274 WeakPolarHBondContact O-CD1 3.41Å; S27-I274 VanDerWaalsContact OG-CD1 3.31Å; S27-I274 WeakPolarHBondContact OG-CD1 3.41Å; S27-S287 WeakPolarHBondContact O-CA 3.36Å; S27-M288 PolarHBondContact N-O 3.43Å; S27-M288 PolarHBondContact O-N 2.95Å
28	S	98.5	Very high	97.9	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.3	178.7	-77.1	0	0	0	0	110.4	K12 Y13 H40 M286 S287	K12-S28 VanDerWaalsContact CA-O 3.31Å; K12-S28 WeakPolarHBondContact CA-O 3.43Å; Y13-S28 PolarHBondContact N-O 2.93Å; Y13-S28 PolarHBondContact O-N 2.9Å; Y13-S28 VanDerWaalsContact O-N 3.12Å; S28-H40 PolarHBondContact OG-ND1 3.26Å; S28-M286 CarbonylContact C-O 3.56Å; S28-M286 VanDerWaalsContact CA-O 3.28Å; S28-M286 WeakPolarHBondContact CA-O 3.27Å; S28-S287 WeakPolarHBondContact CB-OG 3.38Å; S28-S287 VanDerWaalsContact OG-CB 3.29Å; S28-S287 WeakPolarHBondContact OG-CB 3.48Å; S28-S287 PolarHBondContact OG-OG 3.42Å
29	M	98.1	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.4	-178.7	-171.8	178.3	75.5	0	0	111	K9 T10 K12 I274 L278 M286	K9-M29 WeakPolarHBondContact O-CG 3.46Å; T10-M29 HydrophobicContact CG2-SD 4.26Å; K12-M29 HydrophobicContact CG-CB 4.14Å; K12-M29 HydrophobicContact CG-CG 4.24Å; K12-M29 HydrophobicContact CG-SD 4.31Å; M29-I274 HydrophobicContact CB-CG2 3.73Å; M29-I274 HydrophobicContact CE-CG2 3.39Å; M29-I274 HydrophobicContact CG-CG2 4.33Å; M29-I274 HydrophobicContact SD-CG2 3.68Å; M29-L278 HydrophobicContact CE-CB 3.96Å; M29-L278 HydrophobicContact CE-CD1 4.2Å; M29-L278 HydrophobicContact CE-CD2 3.85Å; M29-L278 HydrophobicContact CE-CG 4.23Å; M29-L278 HydrophobicContact SD-CD2 4.47Å; M29-M286 HydrophobicContact CE-CE 3.22Å; M29-M286 HydrophobicContact CE-SD 4.05Å; M29-M286 PolarHBondContact N-O 3.48Å; M29-M286 PolarHBondContact O-N 3.29Å
30	Q	98	Very high	97.9	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.121	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	-38.2	179.9	179.7	177.9	-37.5	0	0	112.2	K9 R33 L34 M36 N285	K9-Q30 HydrophobicContact CB-CB 4.18Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.14Å; Q30-R33 PolarHBondContact NE2-O 2.95Å; Q30-L34 VanDerWaalsContact NE2-C 3.31Å; Q30-L34 PolarHBondContact NE2-O 2.87Å; Q30-M36 HydrophobicContact CB-CB 4.21Å; Q30-M36 HydrophobicContact CB-SD 4.32Å; Q30-M36 HydrophobicContact CG-CB 4.22Å; Q30-N285 PolarHBondContact O-ND2 2.76Å
31	G	95.4	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66	-135.5	-179.1	0	0	0	0	0	112.1	P8 K9	P8-G31 CarbonylContact C-O 3.37Å; P8-G31 VanDerWaalsContact CA-O 3.28Å; P8-G31 WeakPolarHBondContact CA-O 3.32Å; K9-G31 PolarHBondContact N-O 3.41Å; K9-G31 PolarHBondContact O-N 3.35Å
32	W	96.6	Very high	98	Very high	82 Å²	82	28.1 Å²	28.1	31%	0.311	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-9.9	-171.9	-66.5	89.3	0	0	0	114.6	L4 L5 P8 L278	L4-W32 CarbonylContact C-O 2.88Å; L4-W32 VanDerWaalsContact CA-O 3.31Å; L4-W32 WeakPolarHBondContact CA-O 3.48Å; L4-W32 HydrophobicContact CD2-CB 4.01Å; L5-W32 PolarHBondContact N-O 2.82Å; P8-W32 HydrophobicContact CB-CD2 3.9Å; P8-W32 HydrophobicContact CB-CE3 4.5Å; P8-W32 HydrophobicContact CB-CG 4.05Å; P8-W32 HydrophobicContact CB-CZ2 4.35Å; P8-W32 HydrophobicContact CG-CD2 4.3Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.85Å; W32-L278 VanDerWaalsContact NE1-CD1 3.29Å
33	R	97	Very high	98	Very high	64 Å²	64	30.6 Å²	30.6	24%	0.242	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	155.8	177.8	-65.4	-60.1	-160.5	-172.8	2.5	111.8	L5 Q30 S35 D284 N285	L5-R33 WeakPolarHBondContact CD1-O 3.39Å; L5-R33 WeakPolarHBondContact CG-O 3.29Å; Q30-R33 PolarHBondContact NE2-O 2.95Å; R33-S35 WeakPolarHBondContact CB-O 3.47Å; R33-D284 WeakPolarHBondContact CG-OD1 3.3Å; R33-D284 IonicContact CZ-OD1 2.84Å; R33-D284 IonicContact CZ-OD2 3.83Å; R33-D284 IonicContact NE-OD1 2.92Å; R33-D284 PolarHBondContact NE-OD1 3.38Å; R33-D284 IonicContact NE-OD2 2.84Å; R33-D284 PolarHBondContact NE-OD2 2.93Å; R33-D284 IonicContact NH2-OD1 2.62Å; R33-D284 PolarHBondContact NH2-OD1 3.11Å; R33-D284 IonicContact NH2-OD2 3.63Å; R33-D284 PolarHBondContact NH2-OD2 3.12Å; R33-N285 WeakPolarHBondContact CB-ND2 3.14Å
34	L	96.9	Very high	98	Very high	101 Å²	101	29.7 Å²	29.7	53%	0.529	15%	0.151	S	C	.	.	S	Bend	trans	-66.4	-39.4	177.7	-61.9	177.7	0	0	0	112.5	G3 L5 Q30	G3-L34 WeakPolarHBondContact O-CG 3.16Å; L5-L34 HydrophobicContact CD2-CD2 3.81Å; L5-L34 HydrophobicContact CG-CD2 4.3Å; Q30-L34 VanDerWaalsContact NE2-C 3.31Å; Q30-L34 PolarHBondContact NE2-O 2.87Å
35	S	97.4	Very high	97.9	Very high	51 Å²	51	34 Å²	34	36%	0.357	17%	0.172	S	C	.	.	S	Bend	trans	-120	158.1	179.1	34.9	0	0	0	0	110.6	R33 E37 N285	R33-S35 WeakPolarHBondContact CB-O 3.47Å; S35-E37 WeakPolarHBondContact OG-CG 2.88Å; S35-E37 PolarHBondContact OG-OE1 3.27Å; S35-E37 VanDerWaalsContact OG-OE1 3.05Å; S35-N285 PolarHBondContact O-ND2 3.3Å; S35-N285 PolarHBondContact O-OD1 2.88Å
36	M	98.2	Very high	97.8	Very high	59 Å²	59	34.2 Å²	34.2	29%	0.291	17%	0.173	S	C	.	.			trans	-90.6	114.6	161.3	-178.9	61.9	170.4	0	0	107.1	Q30 D38 N285	Q30-M36 HydrophobicContact CB-CB 4.21Å; Q30-M36 HydrophobicContact CB-SD 4.32Å; Q30-M36 HydrophobicContact CG-CB 4.22Å; M36-D38 HydrophobicContact CE-CB 3.66Å; M36-D38 HydrophobicContact SD-CB 4.28Å; M36-N285 HydrophobicContact SD-CB 3.96Å
37	E	98.4	Very high	97.3	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	20%	0.201	C	C	.	.			trans	-112.7	-12.4	-178	-55.5	-170	146.6	0	0	111.8	S35 G61 H62 A63 G64 S68 N285	S35-E37 WeakPolarHBondContact OG-CG 2.88Å; S35-E37 PolarHBondContact OG-OE1 3.27Å; S35-E37 VanDerWaalsContact OG-OE1 3.05Å; E37-G61 VanDerWaalsContact CB-O 3.28Å; E37-G61 WeakPolarHBondContact CB-O 3.41Å; E37-G61 WeakPolarHBondContact O-CA 3.17Å; E37-G61 PolarHBondContact O-N 3.44Å; E37-H62 WeakPolarHBondContact OE2-CA 3.48Å; E37-A63 PolarHBondContact OE2-N 3.43Å; E37-G64 WeakPolarHBondContact OE1-CA 3.45Å; E37-G64 PolarHBondContact OE1-N 2.82Å; E37-S68 VanDerWaalsContact O-CB 3.29Å; E37-S68 WeakPolarHBondContact O-CB 2.82Å; E37-S68 PolarHBondContact O-OG 3.02Å; E37-N285 PolarHBondContact N-OD1 2.75Å
38	D	98.8	Very high	96.9	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.043	23%	0.234	C	C	.	.			trans	-68.5	152.8	171.8	-65.2	-2.4	0	0	0	112.7	M36 F59 S287	M36-D38 HydrophobicContact CE-CB 3.66Å; M36-D38 HydrophobicContact SD-CB 4.28Å; D38-F59 CarbonylContact C-O 3.57Å; D38-F59 WeakPolarHBondContact CA-O 3.46Å; D38-S287 WeakPolarHBondContact CB-OG 3.45Å; D38-S287 WeakPolarHBondContact OD2-CB 3.46Å; D38-S287 PolarHBondContact OD2-N 2.77Å; D38-S287 PolarHBondContact OD2-OG 2.88Å
39	S	98.7	Very high	96.5	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	168.1	166	-71.1	0	0	0	0	110.4	F59 S68 E69	S39-F59 PolarHBondContact N-O 2.82Å; S39-F59 PolarHBondContact O-N 3.31Å; S39-S68 WeakPolarHBondContact CB-O 3.14Å; S39-E69 PolarHBondContact OG-N 3.28Å
40	H	98.7	Very high	96.3	Very high	37 Å²	37	46.3 Å²	46.3	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.7	-179.3	55.6	-98.2	0	0	0	111.1	Y13 S28 A57 A72 V289	Y13-H40 AromaticContact CD1-CE1 3.47Å; Y13-H40 VanDerWaalsContact CD1-CE1 3.47Å; Y13-H40 WeakPolarHBondContact CD1-CE1 3.43Å; Y13-H40 AromaticContact CD1-NE2 3.67Å; Y13-H40 AromaticContact CE1-CE1 3.49Å; Y13-H40 VanDerWaalsContact CE1-CE1 3.49Å; Y13-H40 WeakPolarHBondContact CE1-CE1 3.29Å; Y13-H40 AromaticContact CE1-NE2 3.17Å; Y13-H40 WeakPolarHBondContact CE1-NE2 3.42Å; S28-H40 PolarHBondContact OG-ND1 3.26Å; H40-A57 CarbonylContact C-O 3.5Å; H40-A57 VanDerWaalsContact CA-O 3.26Å; H40-A57 WeakPolarHBondContact CA-O 3.18Å; H40-A57 WeakPolarHBondContact CB-O 3.35Å; H40-A72 WeakPolarHBondContact O-CB 3.24Å; H40-V289 HydrophobicContact CB-CG2 4.27Å
41	C	97.7	Very high	96.2	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.6	174.6	176	0	0	0	0	109.8	I43 F55 F56 A57 F59	C41-I43 VanDerWaalsContact SG-CD1 3.57Å; C41-F55 HydrophobicContact CB-CD1 4.49Å; C41-F55 HydrophobicContact CB-CE1 4.24Å; C41-F56 CarbonylContact O-C 3.44Å; C41-F56 VanDerWaalsContact O-CA 3.28Å; C41-F56 WeakPolarHBondContact O-CA 3.29Å; C41-A57 HydrophobicContact CB-CB 4.32Å; C41-A57 PolarHBondContact N-O 3.04Å; C41-A57 PolarHBondContact O-N 3.01Å; C41-F59 HydrophobicContact CB-CE2 4.24Å
42	A	98.4	Very high	96.2	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	113.9	171.4	0	0	0	0	0	110.9	Y24 I26 F56	Y24-A42 HydrophobicContact CD2-CB 3.87Å; Y24-A42 HydrophobicContact CE1-CB 4.31Å; Y24-A42 HydrophobicContact CE2-CB 3.57Å; Y24-A42 HydrophobicContact CG-CB 4.39Å; I26-A42 HydrophobicContact CD1-CB 3.6Å; A42-F56 HydrophobicContact CB-CD1 3.62Å; A42-F56 HydrophobicContact CB-CE1 3.82Å
43	I	98.3	Very high	96.2	Very high	55 Å²	55	51.2 Å²	51.2	28%	0.282	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.8	-178.8	-65.6	170.6	0	0	0	107.4	C41 Q45 L46 S54 F55 L76	C41-I43 VanDerWaalsContact SG-CD1 3.57Å; I43-Q45 WeakPolarHBondContact CG2-O 3.3Å; I43-L46 HydrophobicContact CG2-CD1 4.04Å; I43-S54 CarbonylContact O-C 3.55Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å; I43-S54 WeakPolarHBondContact O-CB 3.46Å; I43-F55 PolarHBondContact N-O 2.75Å; I43-F55 PolarHBondContact O-N 2.92Å; I43-L76 HydrophobicContact CD1-CD2 3.33Å; I43-L76 HydrophobicContact CG1-CD2 4.48Å; I43-L76 HydrophobicContact CG2-CD2 4.5Å
44	T	98.1	Very high	96.3	Very high	24 Å²	24	48.2 Å²	48.2	15%	0.147	27%	0.273	C	S	.	.	S	Bend	trans	-80.1	-22.7	-178.6	52.1	0	0	0	0	112.7	C18 N20 Y24 S54 F56	C18-T44 PolarHBondContact O-OG1 3.48Å; N20-T44 VanDerWaalsContact CG-O 3.27Å; N20-T44 PolarHBondContact ND2-O 3.33Å; Y24-T44 HydrophobicContact CD1-CG2 3.62Å; Y24-T44 HydrophobicContact CE1-CG2 3.53Å; T44-S54 WeakPolarHBondContact O-CB 3.15Å; T44-S54 PolarHBondContact O-OG 3.38Å; T44-F56 HydrophobicContact CG2-CE1 4.47Å; T44-F56 HydrophobicContact CG2-CZ 4.07Å
45	Q	97.5	Very high	96.4	Very high	114 Å²	114	43.5 Å²	43.5	53%	0.533	25%	0.248	S	C	.	.	S	Bend	trans	-137.9	115.5	179	-57.5	-169.8	-69.1	0	0	110	N20 I43 K51 W53	N20-Q45 PolarHBondContact OD1-NE2 2.88Å; I43-Q45 WeakPolarHBondContact CG2-O 3.3Å; Q45-K51 WeakPolarHBondContact CB-O 3.49Å; Q45-W53 WeakPolarHBondContact CA-O 3.29Å
46	L	95.9	Very high	96.4	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.231	C	C	.	.			trans	-72.2	156.5	175.2	-88.4	63.7	0	0	0	111.2	I43 L50 K51 W53 F55 L76 V80 L135	I43-L46 HydrophobicContact CG2-CD1 4.04Å; L46-L50 HydrophobicContact CB-CB 3.66Å; L46-L50 WeakPolarHBondContact CB-O 3.46Å; L46-L50 HydrophobicContact CD2-CB 4.06Å; L46-L50 HydrophobicContact CD2-CD1 4.06Å; L46-K51 WeakPolarHBondContact O-CA 3.25Å; L46-K51 PolarHBondContact O-N 3.36Å; L46-W53 HydrophobicContact CB-CB 4.45Å; L46-W53 HydrophobicContact CD1-CB 4.28Å; L46-W53 WeakPolarHBondContact CD1-O 3.35Å; L46-W53 HydrophobicContact CD2-CB 4.14Å; L46-W53 PolarHBondContact N-O 3.12Å; L46-F55 HydrophobicContact CD1-CB 3.89Å; L46-L76 HydrophobicContact CD1-CD2 4.41Å; L46-L76 HydrophobicContact CD2-CD1 3.91Å; L46-L76 HydrophobicContact CG-CD1 4.25Å; L46-L76 HydrophobicContact CG-CD2 4.19Å; L46-V80 HydrophobicContact CD2-CG1 3.98Å; L46-L135 HydrophobicContact CD2-CD1 3.91Å
47	P	88.6	Confident	96.5	Very high	93 Å²	93	38.3 Å²	38.3	60%	0.604	22%	0.217	S	C	*	.	S	Bend	trans	-70.3	159.5	178.1	28.9	-34.9	0	0	0	112.9	L50	P47-L50 PolarHBondContact O-N 2.87Å
48	G	89.1	Confident	96.5	Very high	66 Å²	66	36.5 Å²	36.5	68%	0.68	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	65.3	-132.8	170.6	0	0	0	0	0	114	L50	G48-L50 PolarHBondContact O-N 2.98Å; G48-L50 VanDerWaalsContact O-N 3.13Å
49	N	90.2	Very high	96.5	Very high	92 Å²	92	36.1 Å²	36.1	49%	0.492	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.4	-7.7	-177.3	-76.5	-0.6	0	0	0	114	I88 P90	N49-I88 PolarHBondContact ND2-O 2.84Å; N49-P90 HydrophobicContact CB-CG 4.31Å
50	L	94.4	Very high	96.5	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.058	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-106.5	16.4	-174.1	-56.8	173.2	0	0	0	112.6	L46 P47 G48 D52 W53 V80 F85 I88	L46-L50 HydrophobicContact CB-CB 3.66Å; L46-L50 WeakPolarHBondContact CB-O 3.46Å; L46-L50 HydrophobicContact CD2-CB 4.06Å; L46-L50 HydrophobicContact CD2-CD1 4.06Å; P47-L50 PolarHBondContact O-N 2.87Å; G48-L50 PolarHBondContact O-N 2.98Å; G48-L50 VanDerWaalsContact O-N 3.13Å; L50-D52 PolarHBondContact O-N 3.37Å; L50-W53 HydrophobicContact CB-CB 4.31Å; L50-W53 HydrophobicContact CB-CG 4.09Å; L50-W53 HydrophobicContact CD2-CD2 3.95Å; L50-W53 HydrophobicContact CD2-CE3 4.46Å; L50-W53 HydrophobicContact CD2-CG 4.28Å; L50-W53 HydrophobicContact CD2-CZ2 4.07Å; L50-W53 WeakPolarHBondContact O-CA 3.43Å; L50-W53 WeakPolarHBondContact O-CB 3.44Å; L50-W53 PolarHBondContact O-N 3.09Å; L50-V80 HydrophobicContact CD1-CB 4.48Å; L50-V80 HydrophobicContact CD1-CG1 4.01Å; L50-F85 HydrophobicContact CD1-CD1 3.69Å; L50-F85 HydrophobicContact CD1-CE1 4.34Å; L50-I88 HydrophobicContact CD2-CB 4.11Å; L50-I88 HydrophobicContact CD2-CD1 4.06Å; L50-I88 HydrophobicContact CD2-CG2 3.77Å
51	K	95.3	Very high	96.5	Very high	119 Å²	119	34.2 Å²	34.2	52%	0.517	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30	-177.3	68.8	179.7	-176.4	178.3	0	115.8	N20 Q45 L46 W53	N20-K51 PolarHBondContact ND2-O 3.41Å; N20-K51 PolarHBondContact OD1-O 3.26Å; Q45-K51 WeakPolarHBondContact CB-O 3.49Å; L46-K51 WeakPolarHBondContact O-CA 3.25Å; L46-K51 PolarHBondContact O-N 3.36Å; K51-W53 PolarHBondContact O-N 3.31Å
52	D	95.1	Very high	96.5	Very high	76 Å²	76	35.3 Å²	35.3	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.8	179	-57.5	-48.3	0	0	0	112.7	N20 L50 P138	N20-D52 VanDerWaalsContact ND2-CA 3.31Å; N20-D52 WeakPolarHBondContact ND2-CA 3.46Å; N20-D52 PolarHBondContact ND2-O 3.31Å; L50-D52 PolarHBondContact O-N 3.37Å; D52-P138 HydrophobicContact CB-CG 4.06Å; D52-P138 WeakPolarHBondContact O-CD 3.24Å
53	W	97.2	Very high	96.4	Very high	15 Å²	15	37.8 Å²	37.8	6%	0.057	22%	0.222	C	C	.	.			trans	-107.1	148.9	175.4	-58.4	46.7	0	0	0	109.5	N20 Q45 L46 L50 K51 F85 I88 P94 V99 L135 I136 T137	N20-W53 PolarHBondContact ND2-N 2.86Å; N20-W53 PolarHBondContact ND2-O 2.89Å; Q45-W53 WeakPolarHBondContact CA-O 3.29Å; L46-W53 HydrophobicContact CB-CB 4.45Å; L46-W53 HydrophobicContact CD1-CB 4.28Å; L46-W53 WeakPolarHBondContact CD1-O 3.35Å; L46-W53 HydrophobicContact CD2-CB 4.14Å; L46-W53 PolarHBondContact N-O 3.12Å; L50-W53 HydrophobicContact CB-CB 4.31Å; L50-W53 HydrophobicContact CB-CG 4.09Å; L50-W53 HydrophobicContact CD2-CD2 3.95Å; L50-W53 HydrophobicContact CD2-CE3 4.46Å; L50-W53 HydrophobicContact CD2-CG 4.28Å; L50-W53 HydrophobicContact CD2-CZ2 4.07Å; L50-W53 WeakPolarHBondContact O-CA 3.43Å; L50-W53 WeakPolarHBondContact O-CB 3.44Å; L50-W53 PolarHBondContact O-N 3.09Å; K51-W53 PolarHBondContact O-N 3.31Å; W53-F85 HydrophobicContact CE3-CE1 4.49Å; W53-F85 HydrophobicContact CZ3-CE1 4.14Å; W53-I88 HydrophobicContact CH2-CD1 3.83Å; W53-I88 HydrophobicContact CZ2-CD1 4.18Å; W53-I88 HydrophobicContact CZ2-CG2 4.22Å; W53-I88 HydrophobicContact CZ3-CD1 4.49Å; W53-P94 HydrophobicContact CH2-CB 4.48Å; W53-P94 HydrophobicContact CH2-CG 3.91Å; W53-P94 HydrophobicContact CZ2-CG 3.86Å; W53-V99 HydrophobicContact CH2-CG1 4.36Å; W53-V99 HydrophobicContact CH2-CG2 3.94Å; W53-V99 HydrophobicContact CZ3-CG1 4.09Å; W53-V99 HydrophobicContact CZ3-CG2 4.47Å; W53-L135 HydrophobicContact CE3-CD1 4.24Å; W53-L135 HydrophobicContact CE3-CD2 3.52Å; W53-L135 HydrophobicContact CE3-CG 3.77Å; W53-L135 HydrophobicContact CZ3-CD2 3.47Å; W53-L135 VanDerWaalsContact CZ3-CD2 3.47Å; W53-L135 HydrophobicContact CZ3-CG 4.18Å; W53-I136 CarbonylContact C-O 3.58Å; W53-I136 VanDerWaalsContact CA-O 3.23Å; W53-I136 WeakPolarHBondContact CA-O 3.49Å; W53-T137 HydrophobicContact CD2-CG2 3.6Å; W53-T137 HydrophobicContact CE3-CG2 3.42Å; W53-T137 VanDerWaalsContact CE3-CG2 3.42Å; W53-T137 HydrophobicContact CG-CG2 4.4Å; W53-T137 HydrophobicContact CH2-CG2 3.6Å; W53-T137 HydrophobicContact CZ2-CG2 3.8Å; W53-T137 HydrophobicContact CZ3-CG2 3.41Å; W53-T137 VanDerWaalsContact CZ3-CG2 3.41Å
54	S	98.6	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.5	175.7	-48.6	0	0	0	0	110	N20 I43 T44 L135 I136	N20-S54 PolarHBondContact ND2-OG 2.87Å; I43-S54 CarbonylContact O-C 3.55Å; I43-S54 WeakPolarHBondContact O-CA 3.38Å; I43-S54 WeakPolarHBondContact O-CB 3.46Å; T44-S54 WeakPolarHBondContact O-CB 3.15Å; T44-S54 PolarHBondContact O-OG 3.38Å; S54-L135 CarbonylContact O-C 3.52Å; S54-L135 WeakPolarHBondContact O-CA 3.47Å; S54-I136 PolarHBondContact N-O 2.91Å; S54-I136 PolarHBondContact O-N 3.45Å
55	F	98.8	Very high	96.4	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.5	178.2	179.4	-98.7	0	0	0	110.3	C41 I43 L46 A57 L75 L76 I79 C133 V134 L135	C41-F55 HydrophobicContact CB-CD1 4.49Å; C41-F55 HydrophobicContact CB-CE1 4.24Å; I43-F55 PolarHBondContact N-O 2.75Å; I43-F55 PolarHBondContact O-N 2.92Å; L46-F55 HydrophobicContact CD1-CB 3.89Å; F55-A57 HydrophobicContact CE1-CB 3.76Å; F55-A57 HydrophobicContact CZ-CB 3.87Å; F55-L75 HydrophobicContact CZ-CD2 4.33Å; F55-L76 HydrophobicContact CB-CD1 4.06Å; F55-L76 HydrophobicContact CB-CD2 4.17Å; F55-L76 HydrophobicContact CD1-CB 4.08Å; F55-L76 HydrophobicContact CD1-CD1 4.31Å; F55-L76 HydrophobicContact CD1-CD2 4.19Å; F55-L76 HydrophobicContact CD1-CG 4.42Å; F55-L76 HydrophobicContact CD2-CD1 4.01Å; F55-L76 HydrophobicContact CE1-CB 4.07Å; F55-L76 HydrophobicContact CG-CB 4.49Å; F55-L76 HydrophobicContact CG-CD1 3.87Å; F55-L76 HydrophobicContact CG-CD2 4.3Å; F55-L76 HydrophobicContact CG-CG 4.45Å; F55-L76 HydrophobicContact CZ-CB 4.46Å; F55-I79 HydrophobicContact CE2-CD1 4.27Å; F55-C133 HydrophobicContact CE2-CB 3.58Å; F55-C133 HydrophobicContact CZ-CB 3.63Å; F55-V134 WeakPolarHBondContact CA-O 3.31Å; F55-L135 HydrophobicContact CB-CD1 4.1Å; F55-L135 HydrophobicContact CD2-CD1 4.01Å
56	F	98.9	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.7	175.5	-58	-87.5	0	0	0	109.4	L22 Y24 C41 A42 T44 C133 V134 I136 L238 V289 V291	L22-F56 HydrophobicContact CD1-CE2 3.87Å; L22-F56 HydrophobicContact CD1-CZ 4.29Å; Y24-F56 AromaticContact CD1-CE1 3.62Å; Y24-F56 HydrophobicContact CD1-CE1 3.62Å; Y24-F56 HydrophobicContact CD1-CZ 4.14Å; Y24-F56 HydrophobicContact CD2-CE1 4.34Å; Y24-F56 HydrophobicContact CE1-CE1 4.34Å; Y24-F56 HydrophobicContact CG-CD1 4.44Å; Y24-F56 AromaticContact CG-CE1 3.62Å; Y24-F56 HydrophobicContact CG-CE1 3.62Å; Y24-F56 HydrophobicContact CG-CZ 4.41Å; C41-F56 CarbonylContact O-C 3.44Å; C41-F56 VanDerWaalsContact O-CA 3.28Å; C41-F56 WeakPolarHBondContact O-CA 3.29Å; A42-F56 HydrophobicContact CB-CD1 3.62Å; A42-F56 HydrophobicContact CB-CE1 3.82Å; T44-F56 HydrophobicContact CG2-CE1 4.47Å; T44-F56 HydrophobicContact CG2-CZ 4.07Å; F56-C133 CarbonylContact O-C 3.51Å; F56-C133 WeakPolarHBondContact O-CA 3.4Å; F56-C133 WeakPolarHBondContact O-CB 3.36Å; F56-V134 HydrophobicContact CB-CG2 3.83Å; F56-V134 HydrophobicContact CD2-CG2 4.11Å; F56-V134 HydrophobicContact CG-CG2 4.46Å; F56-V134 PolarHBondContact N-O 3.35Å; F56-V134 PolarHBondContact O-N 3.06Å; F56-I136 HydrophobicContact CD2-CD1 4Å; F56-I136 HydrophobicContact CE2-CD1 3.97Å; F56-L238 HydrophobicContact CB-CD1 4.07Å; F56-L238 WeakPolarHBondContact O-CD2 2.8Å; F56-V289 HydrophobicContact CB-CG1 4.14Å; F56-V289 HydrophobicContact CD1-CG1 3.96Å; F56-V289 HydrophobicContact CG-CG1 4.39Å; F56-V291 HydrophobicContact CB-CG2 4.26Å; F56-V291 HydrophobicContact CD1-CG2 3.79Å; F56-V291 HydrophobicContact CD2-CG1 4.45Å; F56-V291 HydrophobicContact CD2-CG2 3.73Å; F56-V291 HydrophobicContact CE1-CG2 4.01Å; F56-V291 HydrophobicContact CE2-CG1 3.95Å; F56-V291 HydrophobicContact CE2-CG2 3.94Å; F56-V291 HydrophobicContact CG-CG2 3.65Å; F56-V291 HydrophobicContact CZ-CG1 4.14Å; F56-V291 HydrophobicContact CZ-CG2 4.06Å
57	A	98.9	Very high	96.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.2	-177.6	0	0	0	0	0	113	H40 C41 F55 F59 V132 C133	H40-A57 CarbonylContact C-O 3.5Å; H40-A57 VanDerWaalsContact CA-O 3.26Å; H40-A57 WeakPolarHBondContact CA-O 3.18Å; H40-A57 WeakPolarHBondContact CB-O 3.35Å; C41-A57 HydrophobicContact CB-CB 4.32Å; C41-A57 PolarHBondContact N-O 3.04Å; C41-A57 PolarHBondContact O-N 3.01Å; F55-A57 HydrophobicContact CE1-CB 3.76Å; F55-A57 HydrophobicContact CZ-CB 3.87Å; A57-F59 HydrophobicContact CB-CD2 4.4Å; A57-F59 HydrophobicContact CB-CE1 4.2Å; A57-F59 HydrophobicContact CB-CE2 3.47Å; A57-F59 VanDerWaalsContact CB-CE2 3.47Å; A57-F59 HydrophobicContact CB-CZ 3.37Å; A57-V132 CarbonylContact C-O 3.52Å; A57-V132 VanDerWaalsContact CA-O 3.22Å; A57-V132 WeakPolarHBondContact CA-O 3.36Å; A57-C133 HydrophobicContact CB-CB 3.54Å
58	V	98.9	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	166.7	173.5	0	0	0	0	108.1	V132 L238 C240 V289	V58-V132 HydrophobicContact CB-CG1 4.01Å; V58-V132 PolarHBondContact N-O 3.07Å; V58-V132 PolarHBondContact O-N 3.24Å; V58-L238 HydrophobicContact CB-CB 4.49Å; V58-L238 HydrophobicContact CG2-CB 3.9Å; V58-C240 HydrophobicContact CG1-CB 4.26Å; V58-V289 HydrophobicContact CG2-CB 4.31Å; V58-V289 HydrophobicContact CG2-CG2 3.69Å
59	F	98.9	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106	-178.5	-56.2	-74.5	0	0	0	107.9	D38 S39 C41 A57 C71 A72 L75 S129 T130 A131	D38-F59 CarbonylContact C-O 3.57Å; D38-F59 WeakPolarHBondContact CA-O 3.46Å; S39-F59 PolarHBondContact N-O 2.82Å; S39-F59 PolarHBondContact O-N 3.31Å; C41-F59 HydrophobicContact CB-CE2 4.24Å; A57-F59 HydrophobicContact CB-CD2 4.4Å; A57-F59 HydrophobicContact CB-CE1 4.2Å; A57-F59 HydrophobicContact CB-CE2 3.47Å; A57-F59 VanDerWaalsContact CB-CE2 3.47Å; A57-F59 HydrophobicContact CB-CZ 3.37Å; F59-C71 HydrophobicContact CB-CB 4.47Å; F59-C71 HydrophobicContact CD1-CB 3.36Å; F59-C71 HydrophobicContact CD2-CB 4.34Å; F59-C71 HydrophobicContact CE1-CB 3.52Å; F59-C71 HydrophobicContact CE2-CB 4.47Å; F59-C71 HydrophobicContact CG-CB 3.8Å; F59-C71 HydrophobicContact CZ-CB 4.07Å; F59-A72 HydrophobicContact CD2-CB 3.81Å; F59-A72 HydrophobicContact CE2-CB 3.9Å; F59-L75 HydrophobicContact CE1-CD2 3.66Å; F59-L75 HydrophobicContact CZ-CB 4.45Å; F59-L75 HydrophobicContact CZ-CD2 3.92Å; F59-S129 WeakPolarHBondContact CB-OG 3.26Å; F59-T130 WeakPolarHBondContact CA-O 3.41Å; F59-A131 HydrophobicContact CD1-CB 3.63Å; F59-A131 HydrophobicContact CE1-CB 3.66Å
60	D	98.8	Very high	97.9	Very high	11 Å²	11	27.2 Å²	27.2	6%	0.059	15%	0.151	C	C	.	.			trans	-90.9	109.9	176.5	-177.8	-15.1	0	0	0	108.3	S129 T130 S149 C240	D60-S129 CarbonylContact O-C 3.5Å; D60-S129 VanDerWaalsContact O-CA 3.31Å; D60-S129 WeakPolarHBondContact O-CA 3.35Å; D60-S129 PolarHBondContact O-OG 3.37Å; D60-T130 HydrophobicContact CB-CG2 4.28Å; D60-T130 VanDerWaalsContact CB-OG1 3.23Å; D60-T130 WeakPolarHBondContact CB-OG1 3.31Å; D60-T130 PolarHBondContact N-OG1 2.87Å; D60-T130 PolarHBondContact O-N 3.01Å; D60-S149 WeakPolarHBondContact CB-OG 3.37Å; D60-C240 HydrophobicContact CB-CB 3.89Å
61	G	98.6	Very high	98.1	Very high	4 Å²	4	26.8 Å²	26.8	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	150.4	-175.1	0	0	0	0	0	112	E37 G128	E37-G61 VanDerWaalsContact CB-O 3.28Å; E37-G61 WeakPolarHBondContact CB-O 3.41Å; E37-G61 WeakPolarHBondContact O-CA 3.17Å; E37-G61 PolarHBondContact O-N 3.44Å; G61-G128 WeakPolarHBondContact CA-O 3.46Å
62	H	97.9	Very high	98.3	Very high	38 Å²	38	22 Å²	22	18%	0.176	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.6	173.7	58.2	-102.6	0	0	0	112	E37 G64 S127 G128 D201	E37-H62 WeakPolarHBondContact OE2-CA 3.48Å; H62-G64 VanDerWaalsContact C-N 3.3Å; H62-G64 PolarHBondContact O-N 3.15Å; H62-S127 WeakPolarHBondContact O-CA 3.16Å; H62-G128 PolarHBondContact N-O 2.7Å; H62-G128 PolarHBondContact O-N 2.92Å; H62-D201 IonicContact CD2-OD1 3.45Å; H62-D201 IonicContact CE1-OD1 2.72Å; H62-D201 IonicContact CE1-OD2 3.33Å; H62-D201 PolarHBondContact CE1-OD2 3.01Å; H62-D201 IonicContact NE2-OD1 3.52Å; H62-D201 PolarHBondContact NE2-OD1 2.83Å; H62-D201 IonicContact NE2-OD2 3.4Å; H62-D201 PolarHBondContact NE2-OD2 2.96Å
63	A	96.5	Very high	98.4	Very high	68 Å²	68	22.3 Å²	22.3	56%	0.562	14%	0.136	S	C	*	.	S	Bend	trans	61.5	37.3	-179.6	0	0	0	0	0	113.1	E37	E37-A63 PolarHBondContact OE2-N 3.43Å
64	G	97.4	Very high	98.5	Very high	17 Å²	17	23.4 Å²	23.4	18%	0.175	14%	0.142	C	C	.	.	S	Bend	trans	120.6	159.1	-173.8	0	0	0	0	0	112	E37 H62 S127	E37-G64 WeakPolarHBondContact OE1-CA 3.45Å; E37-G64 PolarHBondContact OE1-N 2.82Å; H62-G64 VanDerWaalsContact C-N 3.3Å; H62-G64 PolarHBondContact O-N 3.15Å; G64-S127 VanDerWaalsContact O-CB 3.27Å; G64-S127 WeakPolarHBondContact O-CB 3.35Å
65	A	98.2	Very high	98.5	Very high	21 Å²	21	23.3 Å²	23.3	17%	0.174	14%	0.141	C	C	.	.	S	Bend	trans	-98.9	-4.4	-178.3	0	0	0	0	0	113.6	V67 S68 E69	A65-V67 PolarHBondContact O-N 2.85Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-S68 PolarHBondContact O-OG 2.98Å; A65-E69 HydrophobicContact CB-CG 4.3Å; A65-E69 WeakPolarHBondContact O-CB 3.18Å; A65-E69 VanDerWaalsContact O-CG 3.3Å; A65-E69 WeakPolarHBondContact O-CG 3.4Å; A65-E69 PolarHBondContact O-N 3.14Å
66	L	98.7	Very high	98.5	Very high	40 Å²	40	24 Å²	24	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-47.2	-170.3	177.4	63.4	0	0	0	112.3	L70 Q119 L120 D125	L66-L70 HydrophobicContact CD1-CD1 3.73Å; L66-L70 HydrophobicContact CD1-CG 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.93Å; L66-L70 WeakPolarHBondContact O-CB 3.36Å; L66-L70 WeakPolarHBondContact O-CD1 3.28Å; L66-L70 WeakPolarHBondContact O-CG 2.82Å; L66-L70 PolarHBondContact O-N 3.34Å; L66-L70 VanDerWaalsContact O-N 3.09Å; L66-Q119 HydrophobicContact CD2-CB 4Å; L66-L120 HydrophobicContact CD2-CD1 4.25Å; L66-L120 HydrophobicContact CD2-CD2 4.48Å; L66-L120 HydrophobicContact CD2-CG 4.09Å; L66-D125 WeakPolarHBondContact CB-OD2 3.44Å; L66-D125 HydrophobicContact CD2-CB 3.96Å
67	V	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-41	-178.4	173.5	0	0	0	0	111.6	A65 L70 C71 L114 L120 S127 L199	A65-V67 PolarHBondContact O-N 2.85Å; V67-L70 PolarHBondContact O-N 3.15Å; V67-C71 WeakPolarHBondContact O-CB 3.35Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 PolarHBondContact O-SG 3.32Å; V67-L114 HydrophobicContact CG1-CD1 4.12Å; V67-L120 HydrophobicContact CG2-CD1 3.99Å; V67-L120 HydrophobicContact CG2-CD2 3.99Å; V67-S127 WeakPolarHBondContact CG2-O 3.22Å; V67-S127 WeakPolarHBondContact CG2-OG 3.24Å; V67-S127 PolarHBondContact N-OG 2.9Å; V67-L199 HydrophobicContact CG1-CB 3.98Å
68	S	98.8	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.5	-41.5	178.8	53.4	0	0	0	0	112.1	E37 S39 A65 L70 C71 A72 S129	E37-S68 VanDerWaalsContact O-CB 3.29Å; E37-S68 WeakPolarHBondContact O-CB 2.82Å; E37-S68 PolarHBondContact O-OG 3.02Å; S39-S68 WeakPolarHBondContact CB-O 3.14Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-S68 PolarHBondContact O-OG 2.98Å; S68-L70 PolarHBondContact O-N 3.44Å; S68-C71 WeakPolarHBondContact O-CB 3.48Å; S68-C71 PolarHBondContact O-N 3.46Å; S68-A72 PolarHBondContact O-N 2.95Å; S68-S129 WeakPolarHBondContact CA-OG 3.16Å; S68-S129 WeakPolarHBondContact CB-OG 3.37Å
69	E	98.8	Very high	98.4	Very high	108 Å²	108	29.4 Å²	29.4	51%	0.505	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-42	174.6	-73.8	178.1	-179.5	0	0	112	S39 A65 A72 T73	S39-E69 PolarHBondContact OG-N 3.28Å; A65-E69 HydrophobicContact CB-CG 4.3Å; A65-E69 WeakPolarHBondContact O-CB 3.18Å; A65-E69 VanDerWaalsContact O-CG 3.3Å; A65-E69 WeakPolarHBondContact O-CG 3.4Å; A65-E69 PolarHBondContact O-N 3.14Å; E69-A72 PolarHBondContact O-N 2.77Å; E69-T73 PolarHBondContact O-N 3.28Å; E69-T73 PolarHBondContact O-OG1 2.82Å
70	L	98.8	Very high	98.3	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-39.4	176.6	-70.5	170.3	0	0	0	111.5	L66 V67 S68 A72 T73 E74 L114 L117	L66-L70 HydrophobicContact CD1-CD1 3.73Å; L66-L70 HydrophobicContact CD1-CG 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.93Å; L66-L70 WeakPolarHBondContact O-CB 3.36Å; L66-L70 WeakPolarHBondContact O-CD1 3.28Å; L66-L70 WeakPolarHBondContact O-CG 2.82Å; L66-L70 PolarHBondContact O-N 3.34Å; L66-L70 VanDerWaalsContact O-N 3.09Å; V67-L70 PolarHBondContact O-N 3.15Å; S68-L70 PolarHBondContact O-N 3.44Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 3.24Å; L70-T73 PolarHBondContact O-N 3.36Å; L70-T73 PolarHBondContact O-OG1 2.94Å; L70-E74 WeakPolarHBondContact O-CB 3.05Å; L70-E74 WeakPolarHBondContact O-CG 3.32Å; L70-E74 PolarHBondContact O-N 3.08Å; L70-L114 HydrophobicContact CB-CD2 3.81Å; L70-L114 HydrophobicContact CD1-CD2 3.47Å; L70-L114 VanDerWaalsContact CD1-CD2 3.47Å; L70-L114 HydrophobicContact CG-CD2 4.21Å; L70-L117 HydrophobicContact CD1-CD1 3.37Å
71	C	98.9	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-45.7	172.3	-73.8	0	0	0	0	111.6	F59 V67 S68 T73 E74 L75 L110	F59-C71 HydrophobicContact CB-CB 4.47Å; F59-C71 HydrophobicContact CD1-CB 3.36Å; F59-C71 HydrophobicContact CD2-CB 4.34Å; F59-C71 HydrophobicContact CE1-CB 3.52Å; F59-C71 HydrophobicContact CE2-CB 4.47Å; F59-C71 HydrophobicContact CG-CB 3.8Å; F59-C71 HydrophobicContact CZ-CB 4.07Å; V67-C71 WeakPolarHBondContact O-CB 3.35Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 PolarHBondContact O-SG 3.32Å; S68-C71 WeakPolarHBondContact O-CB 3.48Å; S68-C71 PolarHBondContact O-N 3.46Å; C71-T73 VanDerWaalsContact C-N 3.27Å; C71-T73 PolarHBondContact O-N 2.93Å; C71-E74 PolarHBondContact O-N 3.27Å; C71-L75 WeakPolarHBondContact O-CB 3.4Å; C71-L75 PolarHBondContact O-N 2.91Å; C71-L110 HydrophobicContact CB-CD2 4.49Å
72	A	98.7	Very high	98.1	Very high	20 Å²	20	35.2 Å²	35.2	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-32.3	178.6	0	0	0	0	0	114.1	H40 F59 S68 E69 L70	H40-A72 WeakPolarHBondContact O-CB 3.24Å; F59-A72 HydrophobicContact CD2-CB 3.81Å; F59-A72 HydrophobicContact CE2-CB 3.9Å; S68-A72 PolarHBondContact O-N 2.95Å; E69-A72 PolarHBondContact O-N 2.77Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 3.24Å
73	T	98.2	Very high	97.9	Very high	81 Å²	81	38.5 Å²	38.5	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-97.5	-20.8	-176.2	51.8	0	0	0	0	114.1	E69 L70 C71 K77	E69-T73 PolarHBondContact O-N 3.28Å; E69-T73 PolarHBondContact O-OG1 2.82Å; L70-T73 PolarHBondContact O-N 3.36Å; L70-T73 PolarHBondContact O-OG1 2.94Å; C71-T73 VanDerWaalsContact C-N 3.27Å; C71-T73 PolarHBondContact O-N 2.93Å; T73-K77 WeakPolarHBondContact O-CE 3.34Å; T73-K77 PolarHBondContact O-NZ 3.24Å
74	E	98.5	Very high	97.8	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-124.8	-24.1	-166.4	-64.4	-64.6	120.2	0	0	115.4	L70 C71 L76 K77 C78 L110 R113	L70-E74 WeakPolarHBondContact O-CB 3.05Å; L70-E74 WeakPolarHBondContact O-CG 3.32Å; L70-E74 PolarHBondContact O-N 3.08Å; C71-E74 PolarHBondContact O-N 3.27Å; E74-L76 PolarHBondContact O-N 2.97Å; E74-K77 WeakPolarHBondContact O-CB 3.43Å; E74-K77 PolarHBondContact O-N 2.89Å; E74-K77 VanDerWaalsContact O-N 3.07Å; E74-K77 IonicContact OE1-NZ 2.86Å; E74-K77 PolarHBondContact OE1-NZ 2.9Å; E74-C78 PolarHBondContact O-N 3.45Å; E74-L110 HydrophobicContact CB-CD1 3.86Å; E74-R113 VanDerWaalsContact CB-NH2 3.29Å; E74-R113 IonicContact OE2-CZ 2.69Å; E74-R113 VanDerWaalsContact OE2-CZ 3.29Å; E74-R113 IonicContact OE2-NH1 2.84Å; E74-R113 PolarHBondContact OE2-NH1 3.04Å; E74-R113 IonicContact OE2-NH2 2.76Å; E74-R113 PolarHBondContact OE2-NH2 3.45Å
75	L	98.8	Very high	97.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-47.8	-173.9	177	60	0	0	0	112	F55 F59 C71 K77 C78 I79 F107 L110	F55-L75 HydrophobicContact CZ-CD2 4.33Å; F59-L75 HydrophobicContact CE1-CD2 3.66Å; F59-L75 HydrophobicContact CZ-CB 4.45Å; F59-L75 HydrophobicContact CZ-CD2 3.92Å; C71-L75 WeakPolarHBondContact O-CB 3.4Å; C71-L75 PolarHBondContact O-N 2.91Å; L75-K77 PolarHBondContact O-N 2.79Å; L75-C78 PolarHBondContact O-N 3.21Å; L75-I79 HydrophobicContact CD1-CD1 4.13Å; L75-I79 HydrophobicContact CD1-CG1 4.31Å; L75-I79 HydrophobicContact CG-CD1 3.97Å; L75-I79 WeakPolarHBondContact O-CG1 3.14Å; L75-I79 PolarHBondContact O-N 3.43Å; L75-F107 HydrophobicContact CD1-CD1 4.5Å; L75-F107 HydrophobicContact CD1-CD2 3.68Å; L75-F107 HydrophobicContact CD1-CE2 3.91Å; L75-F107 HydrophobicContact CD1-CG 4Å; L75-F107 HydrophobicContact CD1-CZ 4.42Å; L75-F107 HydrophobicContact CD2-CD2 4.39Å; L75-F107 HydrophobicContact CD2-CE1 4.26Å; L75-F107 HydrophobicContact CD2-CE2 3.78Å; L75-F107 HydrophobicContact CD2-CZ 3.7Å; L75-F107 HydrophobicContact CG-CE2 4.28Å; L75-L110 HydrophobicContact CB-CD2 3.78Å; L75-L110 HydrophobicContact CD1-CB 4.47Å; L75-L110 HydrophobicContact CD1-CD2 3.9Å; L75-L110 HydrophobicContact CG-CD2 4.43Å
76	L	98.4	Very high	97.5	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-39.4	178	177.6	62.6	0	0	0	111.5	I43 L46 F55 E74 I79 V80	I43-L76 HydrophobicContact CD1-CD2 3.33Å; I43-L76 HydrophobicContact CG1-CD2 4.48Å; I43-L76 HydrophobicContact CG2-CD2 4.5Å; L46-L76 HydrophobicContact CD1-CD2 4.41Å; L46-L76 HydrophobicContact CD2-CD1 3.91Å; L46-L76 HydrophobicContact CG-CD1 4.25Å; L46-L76 HydrophobicContact CG-CD2 4.19Å; F55-L76 HydrophobicContact CB-CD1 4.06Å; F55-L76 HydrophobicContact CB-CD2 4.17Å; F55-L76 HydrophobicContact CD1-CB 4.08Å; F55-L76 HydrophobicContact CD1-CD1 4.31Å; F55-L76 HydrophobicContact CD1-CD2 4.19Å; F55-L76 HydrophobicContact CD1-CG 4.42Å; F55-L76 HydrophobicContact CD2-CD1 4.01Å; F55-L76 HydrophobicContact CE1-CB 4.07Å; F55-L76 HydrophobicContact CG-CB 4.49Å; F55-L76 HydrophobicContact CG-CD1 3.87Å; F55-L76 HydrophobicContact CG-CD2 4.3Å; F55-L76 HydrophobicContact CG-CG 4.45Å; F55-L76 HydrophobicContact CZ-CB 4.46Å; E74-L76 PolarHBondContact O-N 2.97Å; L76-I79 PolarHBondContact O-N 2.9Å; L76-V80 HydrophobicContact CD1-CG1 3.79Å; L76-V80 HydrophobicContact CG-CG1 4.25Å; L76-V80 WeakPolarHBondContact O-CG1 3.38Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.21Å
77	K	97.7	Very high	97.1	Very high	101 Å²	101	44.2 Å²	44.2	44%	0.439	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-49	178	-60	177.2	-169.7	160	0	110.4	T73 E74 L75 I79 V80 D81	T73-K77 WeakPolarHBondContact O-CE 3.34Å; T73-K77 PolarHBondContact O-NZ 3.24Å; E74-K77 WeakPolarHBondContact O-CB 3.43Å; E74-K77 PolarHBondContact O-N 2.89Å; E74-K77 VanDerWaalsContact O-N 3.07Å; E74-K77 IonicContact OE1-NZ 2.86Å; E74-K77 PolarHBondContact OE1-NZ 2.9Å; L75-K77 PolarHBondContact O-N 2.79Å; K77-I79 VanDerWaalsContact C-N 3.27Å; K77-I79 PolarHBondContact O-N 3.28Å; K77-V80 WeakPolarHBondContact O-CG2 3.31Å; K77-V80 PolarHBondContact O-N 3.29Å; K77-D81 VanDerWaalsContact O-CB 3.23Å; K77-D81 WeakPolarHBondContact O-CB 2.99Å; K77-D81 PolarHBondContact O-N 3.42Å
78	C	98.3	Very high	96.8	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-37.2	176.3	-71.4	0	0	0	0	112.6	E74 L75 T82 G106 L110 R113	E74-C78 PolarHBondContact O-N 3.45Å; L75-C78 PolarHBondContact O-N 3.21Å; C78-T82 WeakPolarHBondContact O-CG2 3.21Å; C78-G106 WeakPolarHBondContact CB-O 3.16Å; C78-L110 HydrophobicContact CB-CB 4.18Å; C78-R113 PolarHBondContact SG-NH2 3.05Å
79	I	98.2	Very high	96.2	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-53	175.8	-66.2	169.6	0	0	0	111	F55 L75 L76 K77 D81 T82 F85 I103 F107	F55-I79 HydrophobicContact CE2-CD1 4.27Å; L75-I79 HydrophobicContact CD1-CD1 4.13Å; L75-I79 HydrophobicContact CD1-CG1 4.31Å; L75-I79 HydrophobicContact CG-CD1 3.97Å; L75-I79 WeakPolarHBondContact O-CG1 3.14Å; L75-I79 PolarHBondContact O-N 3.43Å; L76-I79 PolarHBondContact O-N 2.9Å; K77-I79 VanDerWaalsContact C-N 3.27Å; K77-I79 PolarHBondContact O-N 3.28Å; I79-D81 PolarHBondContact O-N 3.32Å; I79-T82 WeakPolarHBondContact O-CB 3.34Å; I79-T82 WeakPolarHBondContact O-CG2 3.43Å; I79-T82 PolarHBondContact O-N 3.06Å; I79-T82 PolarHBondContact O-OG1 2.79Å; I79-F85 HydrophobicContact CG2-CD1 4.28Å; I79-F85 HydrophobicContact CG2-CD2 4.02Å; I79-F85 HydrophobicContact CG2-CE1 3.84Å; I79-F85 HydrophobicContact CG2-CE2 3.54Å; I79-F85 HydrophobicContact CG2-CG 4.37Å; I79-F85 HydrophobicContact CG2-CZ 3.44Å; I79-F85 VanDerWaalsContact CG2-CZ 3.44Å; I79-F85 WeakPolarHBondContact O-CD2 3.28Å; I79-F85 WeakPolarHBondContact O-CG 3.43Å; I79-I103 HydrophobicContact CD1-CG2 4.39Å; I79-I103 HydrophobicContact CG2-CG1 4.12Å; I79-F107 HydrophobicContact CD1-CD2 4.39Å; I79-F107 HydrophobicContact CD1-CE2 4.21Å
80	V	96.7	Very high	95.4	Very high	27 Å²	27	46 Å²	46	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-21.8	-176.2	-57.9	0	0	0	0	113.1	L46 L50 L76 K77 T82 F85	L46-V80 HydrophobicContact CD2-CG1 3.98Å; L50-V80 HydrophobicContact CD1-CB 4.48Å; L50-V80 HydrophobicContact CD1-CG1 4.01Å; L76-V80 HydrophobicContact CD1-CG1 3.79Å; L76-V80 HydrophobicContact CG-CG1 4.25Å; L76-V80 WeakPolarHBondContact O-CG1 3.38Å; L76-V80 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 PolarHBondContact O-N 3.21Å; K77-V80 WeakPolarHBondContact O-CG2 3.31Å; K77-V80 PolarHBondContact O-N 3.29Å; V80-T82 VanDerWaalsContact C-N 3.28Å; V80-F85 HydrophobicContact CG1-CD1 4.21Å; V80-F85 WeakPolarHBondContact O-CB 3.4Å
81	D	96.3	Very high	94.6	Very high	95 Å²	95	51 Å²	51	51%	0.508	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.2	175.9	-78.7	-28.3	0	0	0	113.8	K77 I79 K86	K77-D81 VanDerWaalsContact O-CB 3.23Å; K77-D81 WeakPolarHBondContact O-CB 2.99Å; K77-D81 PolarHBondContact O-N 3.42Å; I79-D81 PolarHBondContact O-N 3.32Å; D81-K86 VanDerWaalsContact O-CE 3.26Å; D81-K86 WeakPolarHBondContact O-CE 3.49Å; D81-K86 PolarHBondContact O-NZ 2.71Å
82	T	96.7	Very high	93.8	Very high	15 Å²	15	56.4 Å²	56.4	9%	0.092	29%	0.29	C	S	.	.	S	Bend	trans	-65.3	154.1	172.3	61.9	0	0	0	0	111.9	C78 I79 V80 E84 F85 K86 G102 D105	C78-T82 WeakPolarHBondContact O-CG2 3.21Å; I79-T82 WeakPolarHBondContact O-CB 3.34Å; I79-T82 WeakPolarHBondContact O-CG2 3.43Å; I79-T82 PolarHBondContact O-N 3.06Å; I79-T82 PolarHBondContact O-OG1 2.79Å; V80-T82 VanDerWaalsContact C-N 3.28Å; T82-E84 PolarHBondContact O-N 3.14Å; T82-F85 PolarHBondContact O-N 2.73Å; T82-F85 WeakPolarHBondContact OG1-CD2 3.36Å; T82-F85 PolarHBondContact OG1-N 3.15Å; T82-K86 WeakPolarHBondContact O-CG 3.31Å; T82-K86 PolarHBondContact O-N 2.72Å; T82-G102 VanDerWaalsContact CG2-O 3.3Å; T82-G102 WeakPolarHBondContact CG2-O 3.39Å; T82-D105 HydrophobicContact CG2-CB 4.15Å
83	E	95.1	Very high	92.9	Very high	107 Å²	107	59.1 Å²	59.1	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-33.7	179.2	-72.3	-59.6	126.3	0	0	111.6	K87	E83-K87 WeakPolarHBondContact O-CD 3.34Å; E83-K87 WeakPolarHBondContact O-CE 3.38Å; E83-K87 WeakPolarHBondContact O-CG 3.42Å; E83-K87 PolarHBondContact O-N 3.02Å
84	E	94.3	Very high	92.2	Very high	19 Å²	19	56.9 Å²	56.9	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-57.5	-51.1	174.6	-69.4	62.2	-142.4	0	0	110.9	T82 K87 I88 E98 R101	T82-E84 PolarHBondContact O-N 3.14Å; E84-K87 PolarHBondContact O-N 2.77Å; E84-I88 WeakPolarHBondContact O-CG1 3.39Å; E84-E98 HydrophobicContact CB-CB 4.33Å; E84-E98 VanDerWaalsContact CB-O 3.25Å; E84-E98 WeakPolarHBondContact CB-O 3.45Å; E84-E98 HydrophobicContact CG-CB 4.17Å; E84-E98 WeakPolarHBondContact CG-O 3.5Å; E84-R101 HydrophobicContact CG-CB 4.22Å; E84-R101 HydrophobicContact CG-CG 4.36Å; E84-R101 IonicContact OE1-CZ 3.19Å; E84-R101 IonicContact OE1-NE 2.68Å; E84-R101 PolarHBondContact OE1-NE 3.12Å; E84-R101 IonicContact OE1-NH2 3.17Å; E84-R101 PolarHBondContact OE1-NH2 3.27Å
85	F	95	Very high	91.9	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-39.3	-178	-87.7	-106.3	0	0	0	112.7	L50 W53 I79 V80 T82 K87 I88 V99 I103 L135	L50-F85 HydrophobicContact CD1-CD1 3.69Å; L50-F85 HydrophobicContact CD1-CE1 4.34Å; W53-F85 HydrophobicContact CE3-CE1 4.49Å; W53-F85 HydrophobicContact CZ3-CE1 4.14Å; I79-F85 HydrophobicContact CG2-CD1 4.28Å; I79-F85 HydrophobicContact CG2-CD2 4.02Å; I79-F85 HydrophobicContact CG2-CE1 3.84Å; I79-F85 HydrophobicContact CG2-CE2 3.54Å; I79-F85 HydrophobicContact CG2-CG 4.37Å; I79-F85 HydrophobicContact CG2-CZ 3.44Å; I79-F85 VanDerWaalsContact CG2-CZ 3.44Å; I79-F85 WeakPolarHBondContact O-CD2 3.28Å; I79-F85 WeakPolarHBondContact O-CG 3.43Å; V80-F85 HydrophobicContact CG1-CD1 4.21Å; V80-F85 WeakPolarHBondContact O-CB 3.4Å; T82-F85 PolarHBondContact O-N 2.73Å; T82-F85 WeakPolarHBondContact OG1-CD2 3.36Å; T82-F85 PolarHBondContact OG1-N 3.15Å; F85-K87 PolarHBondContact O-N 3.21Å; F85-I88 HydrophobicContact CB-CD1 4.49Å; F85-I88 HydrophobicContact CD1-CD1 4.05Å; F85-I88 HydrophobicContact CE1-CD1 4.44Å; F85-I88 HydrophobicContact CG-CD1 4.18Å; F85-I88 WeakPolarHBondContact O-CB 3.48Å; F85-I88 PolarHBondContact O-N 3.3Å; F85-I88 VanDerWaalsContact O-N 3.1Å; F85-V99 HydrophobicContact CE2-CG1 4.16Å; F85-V99 HydrophobicContact CZ-CG1 3.84Å; F85-I103 HydrophobicContact CE2-CG1 4.11Å; F85-I103 HydrophobicContact CZ-CG1 4Å; F85-L135 HydrophobicContact CE1-CD2 3.7Å; F85-L135 HydrophobicContact CZ-CD2 3.57Å
86	K	93.8	Very high	91.8	Very high	118 Å²	118	60.4 Å²	60.4	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-26.9	177.4	-76	173.3	173.4	151.1	0	113.6	D81 T82	D81-K86 VanDerWaalsContact O-CE 3.26Å; D81-K86 WeakPolarHBondContact O-CE 3.49Å; D81-K86 PolarHBondContact O-NZ 2.71Å; T82-K86 WeakPolarHBondContact O-CG 3.31Å; T82-K86 PolarHBondContact O-N 2.72Å
87	K	91.6	Very high	91.7	Very high	123 Å²	123	66.5 Å²	66.5	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.4	178.7	-66.1	162.9	-162.6	168.2	0	113.3	E83 E84 F85 N89	E83-K87 WeakPolarHBondContact O-CD 3.34Å; E83-K87 WeakPolarHBondContact O-CE 3.38Å; E83-K87 WeakPolarHBondContact O-CG 3.42Å; E83-K87 PolarHBondContact O-N 3.02Å; E84-K87 PolarHBondContact O-N 2.77Å; F85-K87 PolarHBondContact O-N 3.21Å; K87-N89 PolarHBondContact O-N 3.09Å; K87-N89 VanDerWaalsContact O-N 3.13Å
88	I	91.7	Very high	91.6	Very high	12 Å²	12	65.1 Å²	65.1	6%	0.062	35%	0.347	C	S	.	.			trans	-63.4	118.1	-178.3	-64.8	175.7	0	0	0	109.3	N49 L50 W53 E84 F85 P94 V99	N49-I88 PolarHBondContact ND2-O 2.84Å; L50-I88 HydrophobicContact CD2-CB 4.11Å; L50-I88 HydrophobicContact CD2-CD1 4.06Å; L50-I88 HydrophobicContact CD2-CG2 3.77Å; W53-I88 HydrophobicContact CH2-CD1 3.83Å; W53-I88 HydrophobicContact CZ2-CD1 4.18Å; W53-I88 HydrophobicContact CZ2-CG2 4.22Å; W53-I88 HydrophobicContact CZ3-CD1 4.49Å; E84-I88 WeakPolarHBondContact O-CG1 3.39Å; F85-I88 HydrophobicContact CB-CD1 4.49Å; F85-I88 HydrophobicContact CD1-CD1 4.05Å; F85-I88 HydrophobicContact CE1-CD1 4.44Å; F85-I88 HydrophobicContact CG-CD1 4.18Å; F85-I88 WeakPolarHBondContact O-CB 3.48Å; F85-I88 PolarHBondContact O-N 3.3Å; F85-I88 VanDerWaalsContact O-N 3.1Å; I88-P94 HydrophobicContact CD1-CB 4.3Å; I88-P94 HydrophobicContact CG1-CB 4.19Å; I88-P94 HydrophobicContact CG2-CB 4.36Å; I88-V99 HydrophobicContact CD1-CG2 4.21Å
89	N	86.4	Confident	91.5	Very high	67 Å²	67	64.6 Å²	64.6	36%	0.358	34%	0.344	S	S	.	.			trans	-91.4	123.9	171	-177.9	-21	0	0	0	108.7	K87 D91 L92	K87-N89 PolarHBondContact O-N 3.09Å; K87-N89 VanDerWaalsContact O-N 3.13Å; N89-D91 PolarHBondContact O-N 2.92Å; N89-D91 WeakPolarHBondContact OD1-CB 3.46Å; N89-D91 PolarHBondContact OD1-N 3.14Å; N89-L92 HydrophobicContact CB-CB 4.19Å; N89-L92 HydrophobicContact CB-CD1 4.1Å; N89-L92 HydrophobicContact CB-CG 4.17Å; N89-L92 PolarHBondContact O-N 2.84Å
90	P	81.1	Confident	91.5	Very high	66 Å²	66	67.4 Å²	67.4	43%	0.429	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.4	-179.6	24.7	-33.3	0	0	0	113.6	N49 L92	N49-P90 HydrophobicContact CB-CG 4.31Å; P90-L92 VanDerWaalsContact C-N 3.32Å
91	D	82	Confident	91.6	Very high	144 Å²	144	71 Å²	71	77%	0.77	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.9	179.3	-59.1	-39.5	0	0	0	112.8	N89	N89-D91 PolarHBondContact O-N 2.92Å; N89-D91 WeakPolarHBondContact OD1-CB 3.46Å; N89-D91 PolarHBondContact OD1-N 3.14Å
92	L	82.9	Confident	91.7	Very high	115 Å²	115	66.5 Å²	66.5	60%	0.602	34%	0.343	S	S	*	.	S	Bend	trans	-116.5	146.9	-178.4	-59.7	178	0	0	0	110.6	N89 P90	N89-L92 HydrophobicContact CB-CB 4.19Å; N89-L92 HydrophobicContact CB-CD1 4.1Å; N89-L92 HydrophobicContact CB-CG 4.17Å; N89-L92 PolarHBondContact O-N 2.84Å; P90-L92 VanDerWaalsContact C-N 3.32Å
93	A	79.7	Confident	91.8	Very high	78 Å²	78	65.9 Å²	65.9	65%	0.645	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-66.9	126.9	168.8	0	0	0	0	0	108.9
94	P	83.6	Confident	91.9	Very high	34 Å²	34	64.5 Å²	64.5	22%	0.221	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.9	152.5	175.2	32.4	-38.1	0	0	0	110	W53 I88 L96 V99	W53-P94 HydrophobicContact CH2-CB 4.48Å; W53-P94 HydrophobicContact CH2-CG 3.91Å; W53-P94 HydrophobicContact CZ2-CG 3.86Å; I88-P94 HydrophobicContact CD1-CB 4.3Å; I88-P94 HydrophobicContact CG1-CB 4.19Å; I88-P94 HydrophobicContact CG2-CB 4.36Å; P94-L96 PolarHBondContact O-N 3.06Å; P94-V99 HydrophobicContact CB-CG2 3.77Å; P94-V99 HydrophobicContact CG-CG2 4.05Å
95	S	92.2	Very high	92.1	Very high	51 Å²	51	66 Å²	66	36%	0.357	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-66.9	122	167.3	173.2	0	0	0	0	109.3	Q97 E98 V99	S95-Q97 PolarHBondContact O-N 2.91Å; S95-E98 WeakPolarHBondContact CB-OE2 3.47Å; S95-E98 PolarHBondContact O-N 3.29Å; S95-V99 WeakPolarHBondContact O-CG2 3.23Å; S95-V99 PolarHBondContact O-N 2.84Å
96	L	95.5	Very high	92.3	Very high	60 Å²	60	65.7 Å²	65.7	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-55.3	-43	178.5	-60.9	-176.9	0	0	0	111.4	P94 E98 V99 E100 F142 V225	P94-L96 PolarHBondContact O-N 3.06Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.16Å; L96-V99 PolarHBondContact O-N 3.12Å; L96-V99 VanDerWaalsContact O-N 3.14Å; L96-E100 WeakPolarHBondContact O-CG 3.32Å; L96-E100 PolarHBondContact O-N 3.41Å; L96-F142 HydrophobicContact CD2-CE1 4.23Å; L96-F142 HydrophobicContact CD2-CZ 3.66Å; L96-V225 HydrophobicContact CD1-CG1 4.33Å; L96-V225 HydrophobicContact CD2-CG1 4.24Å
97	Q	96.5	Very high	92.5	Very high	146 Å²	146	60.1 Å²	60.1	68%	0.682	31%	0.312	S	S	*	.	H	α-helix	trans	-62.9	-33.3	178	-66.3	176.8	-5	0	0	112.8	S95 R101	S95-Q97 PolarHBondContact O-N 2.91Å; Q97-R101 VanDerWaalsContact O-CB 3.32Å; Q97-R101 WeakPolarHBondContact O-CB 3.26Å; Q97-R101 PolarHBondContact O-N 2.92Å
98	E	95.3	Very high	92.9	Very high	71 Å²	71	55.6 Å²	55.6	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-73.8	-38.8	175.5	-66.1	-170.8	121.4	0	0	111	E84 S95 L96 R101 G102	E84-E98 HydrophobicContact CB-CB 4.33Å; E84-E98 VanDerWaalsContact CB-O 3.25Å; E84-E98 WeakPolarHBondContact CB-O 3.45Å; E84-E98 HydrophobicContact CG-CB 4.17Å; E84-E98 WeakPolarHBondContact CG-O 3.5Å; S95-E98 WeakPolarHBondContact CB-OE2 3.47Å; S95-E98 PolarHBondContact O-N 3.29Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.16Å; E98-R101 PolarHBondContact O-N 3.12Å; E98-R101 IonicContact OE1-NH2 3.66Å; E98-G102 PolarHBondContact O-N 2.9Å
99	V	97.2	Very high	93.2	Very high	1 Å²	1	58 Å²	58	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-45.3	174.4	-179.1	0	0	0	0	110.6	W53 F85 I88 P94 S95 L96 R101 G102 I103 L135 F142	W53-V99 HydrophobicContact CH2-CG1 4.36Å; W53-V99 HydrophobicContact CH2-CG2 3.94Å; W53-V99 HydrophobicContact CZ3-CG1 4.09Å; W53-V99 HydrophobicContact CZ3-CG2 4.47Å; F85-V99 HydrophobicContact CE2-CG1 4.16Å; F85-V99 HydrophobicContact CZ-CG1 3.84Å; I88-V99 HydrophobicContact CD1-CG2 4.21Å; P94-V99 HydrophobicContact CB-CG2 3.77Å; P94-V99 HydrophobicContact CG-CG2 4.05Å; S95-V99 WeakPolarHBondContact O-CG2 3.23Å; S95-V99 PolarHBondContact O-N 2.84Å; L96-V99 PolarHBondContact O-N 3.12Å; L96-V99 VanDerWaalsContact O-N 3.14Å; V99-R101 PolarHBondContact O-N 3.43Å; V99-G102 PolarHBondContact O-N 3.1Å; V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.18Å; V99-L135 HydrophobicContact CG1-CD2 4.25Å; V99-F142 HydrophobicContact CB-CD1 4.34Å; V99-F142 HydrophobicContact CB-CE1 3.62Å; V99-F142 HydrophobicContact CB-CE2 4.47Å; V99-F142 HydrophobicContact CB-CZ 3.69Å; V99-F142 HydrophobicContact CG1-CD1 3.76Å; V99-F142 HydrophobicContact CG1-CD2 4.11Å; V99-F142 HydrophobicContact CG1-CE1 3.45Å; V99-F142 VanDerWaalsContact CG1-CE1 3.45Å; V99-F142 HydrophobicContact CG1-CE2 3.82Å; V99-F142 HydrophobicContact CG1-CG 4.1Å; V99-F142 HydrophobicContact CG1-CZ 3.49Å; V99-F142 VanDerWaalsContact CG1-CZ 3.49Å; V99-F142 HydrophobicContact CG2-CZ 4.12Å
100	E	98.2	Very high	93.8	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-46.7	174.5	-69.2	176.1	111.3	0	0	111.4	L96 G102 I103 R104 F142 I223 V225	L96-E100 WeakPolarHBondContact O-CG 3.32Å; L96-E100 PolarHBondContact O-N 3.41Å; E100-G102 PolarHBondContact O-N 3.33Å; E100-I103 PolarHBondContact O-N 3.17Å; E100-R104 WeakPolarHBondContact O-CB 3.39Å; E100-R104 PolarHBondContact O-N 2.9Å; E100-F142 HydrophobicContact CG-CD1 4.3Å; E100-F142 HydrophobicContact CG-CE1 4.27Å; E100-I223 HydrophobicContact CB-CD1 4.49Å; E100-I223 HydrophobicContact CB-CG2 4.38Å; E100-I223 HydrophobicContact CG-CG2 3.88Å; E100-I223 WeakPolarHBondContact O-CD1 3.22Å; E100-V225 HydrophobicContact CG-CG2 3.74Å
101	R	98	Very high	94.7	Very high	102 Å²	102	51.9 Å²	51.9	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.7	-174.8	171.8	72.2	-127.6	-3.2	112	E84 Q97 E98 V99 I103 R104 D105	E84-R101 HydrophobicContact CG-CB 4.22Å; E84-R101 HydrophobicContact CG-CG 4.36Å; E84-R101 IonicContact OE1-CZ 3.19Å; E84-R101 IonicContact OE1-NE 2.68Å; E84-R101 PolarHBondContact OE1-NE 3.12Å; E84-R101 IonicContact OE1-NH2 3.17Å; E84-R101 PolarHBondContact OE1-NH2 3.27Å; Q97-R101 VanDerWaalsContact O-CB 3.32Å; Q97-R101 WeakPolarHBondContact O-CB 3.26Å; Q97-R101 PolarHBondContact O-N 2.92Å; E98-R101 PolarHBondContact O-N 3.12Å; E98-R101 IonicContact OE1-NH2 3.66Å; V99-R101 PolarHBondContact O-N 3.43Å; R101-I103 PolarHBondContact O-N 3.28Å; R101-R104 PolarHBondContact O-N 2.84Å; R101-D105 WeakPolarHBondContact CG-OD2 3.26Å; R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 VanDerWaalsContact O-CG 3.27Å; R101-D105 PolarHBondContact O-N 3.43Å
102	G	98.2	Very high	95.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-37.3	178.6	0	0	0	0	0	113.1	T82 E98 V99 E100 G106	T82-G102 VanDerWaalsContact CG2-O 3.3Å; T82-G102 WeakPolarHBondContact CG2-O 3.39Å; E98-G102 PolarHBondContact O-N 2.9Å; V99-G102 PolarHBondContact O-N 3.1Å; E100-G102 PolarHBondContact O-N 3.33Å; G102-G106 PolarHBondContact O-N 2.87Å
103	I	98.7	Very high	96.2	Very high	3 Å²	3	49 Å²	49	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-51.7	172.6	-67.3	165	0	0	0	109.7	I79 F85 V99 E100 R101 D105 G106 F107 L135 F142 A144 I223	I79-I103 HydrophobicContact CD1-CG2 4.39Å; I79-I103 HydrophobicContact CG2-CG1 4.12Å; F85-I103 HydrophobicContact CE2-CG1 4.11Å; F85-I103 HydrophobicContact CZ-CG1 4Å; V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 3.18Å; E100-I103 PolarHBondContact O-N 3.17Å; R101-I103 PolarHBondContact O-N 3.28Å; I103-D105 PolarHBondContact O-N 3.27Å; I103-G106 PolarHBondContact O-N 3Å; I103-F107 HydrophobicContact CG2-CD2 4.16Å; I103-F107 HydrophobicContact CG2-CE2 4Å; I103-F107 WeakPolarHBondContact O-CD2 3.36Å; I103-F107 PolarHBondContact O-N 2.99Å; I103-F107 VanDerWaalsContact O-N 3.08Å; I103-L135 HydrophobicContact CD1-CD2 4.25Å; I103-F142 HydrophobicContact CD1-CB 3.78Å; I103-F142 HydrophobicContact CD1-CD1 4.11Å; I103-F142 HydrophobicContact CD1-CG 4.09Å; I103-A144 HydrophobicContact CG2-CB 3.79Å; I103-I223 HydrophobicContact CB-CD1 3.84Å; I103-I223 HydrophobicContact CG2-CD1 3.73Å; I103-I223 HydrophobicContact CG2-CG1 4.17Å
104	R	98.7	Very high	97.1	Very high	78 Å²	78	45.5 Å²	45.5	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-55.8	-50.1	178.9	-179.9	-170.3	177.6	-80.4	-5.7	111.8	E100 R101 G106 F107 L108 E220 I223	E100-R104 WeakPolarHBondContact O-CB 3.39Å; E100-R104 PolarHBondContact O-N 2.9Å; R101-R104 PolarHBondContact O-N 2.84Å; R104-G106 VanDerWaalsContact C-N 3.28Å; R104-G106 PolarHBondContact O-N 2.62Å; R104-F107 WeakPolarHBondContact O-CB 3.39Å; R104-F107 PolarHBondContact O-N 3.48Å; R104-L108 VanDerWaalsContact NH1-CD1 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.31Å; R104-L108 PolarHBondContact O-N 3.49Å; R104-L108 VanDerWaalsContact O-N 3.08Å; R104-E220 HydrophobicContact CG-CG 4.4Å; R104-E220 IonicContact CZ-OE1 2.79Å; R104-E220 IonicContact NE-OE1 2.73Å; R104-E220 PolarHBondContact NE-OE1 2.99Å; R104-E220 IonicContact NH2-OE1 3.53Å; R104-E220 PolarHBondContact NH2-OE1 2.88Å; R104-I223 HydrophobicContact CB-CD1 4Å
105	D	98.6	Very high	97.7	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-68.5	-30.7	-177.6	-68	-11.7	0	0	0	111.4	T82 R101 I103 L108 S109	T82-D105 HydrophobicContact CG2-CB 4.15Å; R101-D105 WeakPolarHBondContact CG-OD2 3.26Å; R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 VanDerWaalsContact O-CG 3.27Å; R101-D105 PolarHBondContact O-N 3.43Å; I103-D105 PolarHBondContact O-N 3.27Å; D105-L108 PolarHBondContact O-N 2.84Å; D105-S109 WeakPolarHBondContact O-CB 3.32Å; D105-S109 PolarHBondContact O-N 3.27Å
106	G	98.8	Very high	98	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-43.2	170.1	0	0	0	0	0	113.2	C78 G102 I103 R104 L110	C78-G106 WeakPolarHBondContact CB-O 3.16Å; G102-G106 PolarHBondContact O-N 2.87Å; I103-G106 PolarHBondContact O-N 3Å; R104-G106 VanDerWaalsContact C-N 3.28Å; R104-G106 PolarHBondContact O-N 2.62Å; G106-L110 WeakPolarHBondContact O-CB 3.37Å; G106-L110 PolarHBondContact O-N 2.88Å
107	F	98.9	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-47.9	174.1	-88.6	-114.1	0	0	0	111.9	L75 I79 I103 R104 L110 D111 A131 A144 C146 L199 P221	L75-F107 HydrophobicContact CD1-CD1 4.5Å; L75-F107 HydrophobicContact CD1-CD2 3.68Å; L75-F107 HydrophobicContact CD1-CE2 3.91Å; L75-F107 HydrophobicContact CD1-CG 4Å; L75-F107 HydrophobicContact CD1-CZ 4.42Å; L75-F107 HydrophobicContact CD2-CD2 4.39Å; L75-F107 HydrophobicContact CD2-CE1 4.26Å; L75-F107 HydrophobicContact CD2-CE2 3.78Å; L75-F107 HydrophobicContact CD2-CZ 3.7Å; L75-F107 HydrophobicContact CG-CE2 4.28Å; I79-F107 HydrophobicContact CD1-CD2 4.39Å; I79-F107 HydrophobicContact CD1-CE2 4.21Å; I103-F107 HydrophobicContact CG2-CD2 4.16Å; I103-F107 HydrophobicContact CG2-CE2 4Å; I103-F107 WeakPolarHBondContact O-CD2 3.36Å; I103-F107 PolarHBondContact O-N 2.99Å; I103-F107 VanDerWaalsContact O-N 3.08Å; R104-F107 WeakPolarHBondContact O-CB 3.39Å; R104-F107 PolarHBondContact O-N 3.48Å; F107-L110 PolarHBondContact O-N 3.12Å; F107-D111 PolarHBondContact O-N 2.88Å; F107-A131 HydrophobicContact CE1-CB 3.71Å; F107-A131 HydrophobicContact CZ-CB 4.16Å; F107-A144 HydrophobicContact CE2-CB 4.32Å; F107-A144 HydrophobicContact CZ-CB 4.36Å; F107-C146 HydrophobicContact CD1-CB 4.25Å; F107-C146 HydrophobicContact CE1-CB 3.81Å; F107-L199 HydrophobicContact CD1-CD1 4.08Å; F107-L199 HydrophobicContact CE1-CD1 4.22Å; F107-P221 HydrophobicContact CB-CG 4Å; F107-P221 HydrophobicContact CD1-CB 3.94Å; F107-P221 HydrophobicContact CD1-CG 3.87Å; F107-P221 HydrophobicContact CD2-CB 4.33Å; F107-P221 HydrophobicContact CD2-CG 3.78Å; F107-P221 HydrophobicContact CE1-CB 3.86Å; F107-P221 HydrophobicContact CE1-CG 4.23Å; F107-P221 HydrophobicContact CE2-CB 4.26Å; F107-P221 HydrophobicContact CE2-CG 4.15Å; F107-P221 HydrophobicContact CG-CB 4.18Å; F107-P221 HydrophobicContact CG-CG 3.63Å; F107-P221 HydrophobicContact CZ-CB 4.02Å; F107-P221 HydrophobicContact CZ-CG 4.36Å
108	L	98.8	Very high	98.2	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-39.8	-179.7	-61.8	-175.2	0	0	0	112.1	R104 D105 D111 D112 T213 P219	R104-L108 VanDerWaalsContact NH1-CD1 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.31Å; R104-L108 PolarHBondContact O-N 3.49Å; R104-L108 VanDerWaalsContact O-N 3.08Å; D105-L108 PolarHBondContact O-N 2.84Å; L108-D111 PolarHBondContact O-N 2.86Å; L108-D112 WeakPolarHBondContact O-CB 3.36Å; L108-D112 PolarHBondContact O-N 2.9Å; L108-T213 HydrophobicContact CD1-CG2 4.19Å; L108-T213 HydrophobicContact CD2-CG2 3.83Å; L108-P219 HydrophobicContact CD2-CB 4.41Å; L108-P219 HydrophobicContact CD2-CG 3.76Å
109	S	98.7	Very high	98.3	Very high	63 Å²	63	49 Å²	49	44%	0.441	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-42.5	175.8	179	0	0	0	0	111.8	D105 R113	D105-S109 WeakPolarHBondContact O-CB 3.32Å; D105-S109 PolarHBondContact O-N 3.27Å; S109-R113 WeakPolarHBondContact O-CB 3.43Å; S109-R113 PolarHBondContact O-N 2.92Å
110	L	98.8	Very high	98.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-50.5	174.2	179.9	62.2	0	0	0	110.8	C71 E74 L75 C78 G106 F107 D112 R113 L114 L199	C71-L110 HydrophobicContact CB-CD2 4.49Å; E74-L110 HydrophobicContact CB-CD1 3.86Å; L75-L110 HydrophobicContact CB-CD2 3.78Å; L75-L110 HydrophobicContact CD1-CB 4.47Å; L75-L110 HydrophobicContact CD1-CD2 3.9Å; L75-L110 HydrophobicContact CG-CD2 4.43Å; C78-L110 HydrophobicContact CB-CB 4.18Å; G106-L110 WeakPolarHBondContact O-CB 3.37Å; G106-L110 PolarHBondContact O-N 2.88Å; F107-L110 PolarHBondContact O-N 3.12Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.27Å; L110-R113 PolarHBondContact O-N 2.66Å; L110-L114 HydrophobicContact CD1-CD1 4.08Å; L110-L114 HydrophobicContact CD1-CD2 4.15Å; L110-L114 HydrophobicContact CD1-CG 3.84Å; L110-L114 HydrophobicContact CD2-CD1 4.41Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.08Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.38Å; L110-L199 HydrophobicContact CB-CD2 4.16Å; L110-L199 HydrophobicContact CD2-CD2 3.7Å; L110-L199 HydrophobicContact CG-CD2 3.94Å
111	D	98.8	Very high	98.2	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-38.8	-178.4	-166.9	65.4	0	0	0	112.5	F107 L108 R115 L199 G200 Y202 K205 P219	F107-D111 PolarHBondContact O-N 2.88Å; L108-D111 PolarHBondContact O-N 2.86Å; D111-R115 PolarHBondContact O-N 3.14Å; D111-L199 HydrophobicContact CB-CD2 4.29Å; D111-L199 WeakPolarHBondContact OD1-CA 3.26Å; D111-G200 PolarHBondContact OD1-N 3.13Å; D111-Y202 PolarHBondContact O-OH 3.49Å; D111-K205 IonicContact OD1-NZ 3.16Å; D111-K205 PolarHBondContact OD1-NZ 3.13Å; D111-K205 IonicContact OD2-NZ 3.5Å; D111-K205 PolarHBondContact OD2-NZ 2.57Å; D111-P219 HydrophobicContact CB-CB 3.7Å; D111-P219 HydrophobicContact CB-CG 4.18Å; D111-P219 VanDerWaalsContact CG-CB 3.5Å; D111-P219 WeakPolarHBondContact OD2-CB 3.3Å; D111-P219 WeakPolarHBondContact OD2-CG 3.2Å
112	D	98.4	Very high	98.1	Very high	92 Å²	92	48.9 Å²	48.9	49%	0.492	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-45.3	175.2	-171.3	64.7	0	0	0	111.8	L108 L110 L114 R115 H116	L108-D112 WeakPolarHBondContact O-CB 3.36Å; L108-D112 PolarHBondContact O-N 2.9Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.27Å; D112-L114 PolarHBondContact O-N 3.31Å; D112-R115 VanDerWaalsContact O-CB 3.3Å; D112-R115 WeakPolarHBondContact O-CB 3.05Å; D112-R115 PolarHBondContact O-N 2.92Å; D112-H116 PolarHBondContact O-CD2 3.02Å
113	R	98.4	Very high	97.9	Very high	107 Å²	107	50.2 Å²	50.2	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-43.1	177.7	-175.6	172.1	59.6	139.6	-1.1	112.3	E74 C78 S109 L110 R115 H116	E74-R113 VanDerWaalsContact CB-NH2 3.29Å; E74-R113 IonicContact OE2-CZ 2.69Å; E74-R113 VanDerWaalsContact OE2-CZ 3.29Å; E74-R113 IonicContact OE2-NH1 2.84Å; E74-R113 PolarHBondContact OE2-NH1 3.04Å; E74-R113 IonicContact OE2-NH2 2.76Å; E74-R113 PolarHBondContact OE2-NH2 3.45Å; C78-R113 PolarHBondContact SG-NH2 3.05Å; S109-R113 WeakPolarHBondContact O-CB 3.43Å; S109-R113 PolarHBondContact O-N 2.92Å; L110-R113 PolarHBondContact O-N 2.66Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 3.36Å; R113-H116 PolarHBondContact O-N 3.06Å
114	L	98.6	Very high	97.8	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-34.5	178.6	-71.4	-176.4	0	0	0	111.9	V67 L70 L110 D112 H116 L117 L120 Y202	V67-L114 HydrophobicContact CG1-CD1 4.12Å; L70-L114 HydrophobicContact CB-CD2 3.81Å; L70-L114 HydrophobicContact CD1-CD2 3.47Å; L70-L114 VanDerWaalsContact CD1-CD2 3.47Å; L70-L114 HydrophobicContact CG-CD2 4.21Å; L110-L114 HydrophobicContact CD1-CD1 4.08Å; L110-L114 HydrophobicContact CD1-CD2 4.15Å; L110-L114 HydrophobicContact CD1-CG 3.84Å; L110-L114 HydrophobicContact CD2-CD1 4.41Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.08Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.38Å; D112-L114 PolarHBondContact O-N 3.31Å; L114-H116 PolarHBondContact O-N 3.45Å; L114-H116 VanDerWaalsContact O-N 3.1Å; L114-L117 HydrophobicContact CD2-CD1 3.61Å; L114-L117 WeakPolarHBondContact O-CB 3.22Å; L114-L117 PolarHBondContact O-N 3.1Å; L114-L120 HydrophobicContact CB-CD1 4.23Å; L114-L120 VanDerWaalsContact O-CD1 3.3Å; L114-L120 WeakPolarHBondContact O-CD1 3.5Å; L114-Y202 VanDerWaalsContact C-OH 3.3Å; L114-Y202 WeakPolarHBondContact CB-OH 3.31Å
115	R	97.2	Very high	97.7	Very high	73 Å²	73	55.8 Å²	55.8	28%	0.275	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-28.8	177.5	-174.6	-177.8	-71.2	-104.9	5	112.9	D111 D112 R113 A121 Y202 K205	D111-R115 PolarHBondContact O-N 3.14Å; D112-R115 VanDerWaalsContact O-CB 3.3Å; D112-R115 WeakPolarHBondContact O-CB 3.05Å; D112-R115 PolarHBondContact O-N 2.92Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 3.36Å; R115-A121 WeakPolarHBondContact O-CB 3.47Å; R115-Y202 VanDerWaalsContact CA-CZ 3.4Å; R115-Y202 HydrophobicContact CB-CD1 4.07Å; R115-Y202 HydrophobicContact CB-CE1 3.61Å; R115-Y202 HydrophobicContact CB-CE2 4.14Å; R115-Y202 HydrophobicContact CG-CD1 3.97Å; R115-Y202 HydrophobicContact CG-CE1 4.04Å; R115-Y202 HydrophobicContact CG-CG 4.24Å; R115-Y202 PolarHBondContact N-OH 3.15Å; R115-K205 PolarHBondContact NH1-O 3.05Å; R115-K205 VanDerWaalsContact NH2-CB 3.26Å; R115-K205 PolarHBondContact NH2-O 2.95Å
116	H	97.7	Very high	97.7	Very high	130 Å²	130	62.2 Å²	62.2	60%	0.602	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.7	-177.4	-62.9	-55.4	0	0	0	113.8	D112 R113 L114	D112-H116 PolarHBondContact O-CD2 3.02Å; R113-H116 PolarHBondContact O-N 3.06Å; L114-H116 PolarHBondContact O-N 3.45Å; L114-H116 VanDerWaalsContact O-N 3.1Å
117	L	97.8	Very high	97.7	Very high	54 Å²	54	62.2 Å²	62.2	28%	0.283	33%	0.325	S	S	.	.	S	Bend	trans	-65.6	134.7	173	-68.5	176.8	0	0	0	110.2	L70 L114 Q119 L120 A121	L70-L117 HydrophobicContact CD1-CD1 3.37Å; L114-L117 HydrophobicContact CD2-CD1 3.61Å; L114-L117 WeakPolarHBondContact O-CB 3.22Å; L114-L117 PolarHBondContact O-N 3.1Å; L117-Q119 VanDerWaalsContact C-N 3.26Å; L117-Q119 PolarHBondContact O-N 3.19Å; L117-Q119 VanDerWaalsContact O-N 3.13Å; L117-L120 HydrophobicContact CB-CD1 4.28Å; L117-L120 HydrophobicContact CD1-CD1 4.13Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-L120 VanDerWaalsContact O-N 3.07Å; L117-A121 VanDerWaalsContact O-CB 3.3Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.95Å
118	P	97.8	Very high	97.7	Very high	94 Å²	94	62.2 Å²	62.2	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-53	-38.6	-174.6	-29.9	35.9	0	0	0	114.8	S122	P118-S122 WeakPolarHBondContact O-CB 3.35Å; P118-S122 PolarHBondContact O-N 3.37Å; P118-S122 PolarHBondContact O-OG 2.83Å
119	Q	97.3	Very high	97.7	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-41.8	-179.6	-58.9	84	-6.2	0	0	111.8	L66 L117 S122 G123 E124 D125	L66-Q119 HydrophobicContact CD2-CB 4Å; L117-Q119 VanDerWaalsContact C-N 3.26Å; L117-Q119 PolarHBondContact O-N 3.19Å; L117-Q119 VanDerWaalsContact O-N 3.13Å; Q119-S122 PolarHBondContact O-OG 2.92Å; Q119-G123 PolarHBondContact O-N 3.42Å; Q119-E124 PolarHBondContact O-N 2.89Å; Q119-D125 HydrophobicContact CB-CB 3.89Å; Q119-D125 PolarHBondContact O-N 3.39Å
120	L	97.3	Very high	97.7	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-79.3	-41.6	-179.7	-69	163.8	0	0	0	111.5	L66 V67 L114 L117 S122 G123 D125 Y202	L66-L120 HydrophobicContact CD2-CD1 4.25Å; L66-L120 HydrophobicContact CD2-CD2 4.48Å; L66-L120 HydrophobicContact CD2-CG 4.09Å; V67-L120 HydrophobicContact CG2-CD1 3.99Å; V67-L120 HydrophobicContact CG2-CD2 3.99Å; L114-L120 HydrophobicContact CB-CD1 4.23Å; L114-L120 VanDerWaalsContact O-CD1 3.3Å; L114-L120 WeakPolarHBondContact O-CD1 3.5Å; L117-L120 HydrophobicContact CB-CD1 4.28Å; L117-L120 HydrophobicContact CD1-CD1 4.13Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-L120 VanDerWaalsContact O-N 3.07Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.69Å; L120-G123 PolarHBondContact O-N 3.28Å; L120-G123 VanDerWaalsContact O-N 3.1Å; L120-D125 HydrophobicContact CD2-CB 4.1Å; L120-D125 WeakPolarHBondContact CD2-OD1 3.46Å; L120-Y202 HydrophobicContact CB-CD2 4.11Å; L120-Y202 HydrophobicContact CB-CE2 3.96Å; L120-Y202 HydrophobicContact CD1-CE2 4.07Å; L120-Y202 HydrophobicContact CD2-CD2 4.44Å; L120-Y202 HydrophobicContact CD2-CE2 4.25Å; L120-Y202 HydrophobicContact CG-CE2 4.3Å
121	A	96.7	Very high	97.7	Very high	69 Å²	69	57.9 Å²	57.9	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-35.3	179.6	0	0	0	0	0	112.8	R115 L117 G123	R115-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 VanDerWaalsContact O-CB 3.3Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.95Å; A121-G123 VanDerWaalsContact C-N 3.28Å
122	S	96.1	Very high	97.7	Very high	82 Å²	82	57.7 Å²	57.7	57%	0.573	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.5	174.7	63.7	0	0	0	0	113.1	P118 Q119 L120 E124	P118-S122 WeakPolarHBondContact O-CB 3.35Å; P118-S122 PolarHBondContact O-N 3.37Å; P118-S122 PolarHBondContact O-OG 2.83Å; Q119-S122 PolarHBondContact O-OG 2.92Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.69Å; S122-E124 PolarHBondContact O-N 3.46Å; S122-E124 WeakPolarHBondContact OG-CB 3.41Å; S122-E124 PolarHBondContact OG-N 3.4Å
123	G	94	Very high	97.7	Very high	28 Å²	28	53.5 Å²	53.5	29%	0.289	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	13.8	-173	0	0	0	0	0	114.2	Q119 L120 A121 R126	Q119-G123 PolarHBondContact O-N 3.42Å; L120-G123 PolarHBondContact O-N 3.28Å; L120-G123 VanDerWaalsContact O-N 3.1Å; A121-G123 VanDerWaalsContact C-N 3.28Å; G123-R126 PolarHBondContact O-NE 3.24Å
124	E	96.6	Very high	97.7	Very high	163 Å²	163	48.4 Å²	48.4	76%	0.762	26%	0.255	S	S	*	.	S	Bend	trans	-62.1	-50.5	168.6	178.4	-178.8	-179.1	0	0	109.9	Q119 S122	Q119-E124 PolarHBondContact O-N 2.89Å; S122-E124 PolarHBondContact O-N 3.46Å; S122-E124 WeakPolarHBondContact OG-CB 3.41Å; S122-E124 PolarHBondContact OG-N 3.4Å
125	D	97.8	Very high	97.7	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	26%	0.255	C	S	.	.			trans	-95.2	133.8	168.9	-166.1	-68.8	0	0	0	109	L66 Q119 L120 S127	L66-D125 WeakPolarHBondContact CB-OD2 3.44Å; L66-D125 HydrophobicContact CD2-CB 3.96Å; Q119-D125 HydrophobicContact CB-CB 3.89Å; Q119-D125 PolarHBondContact O-N 3.39Å; L120-D125 HydrophobicContact CD2-CB 4.1Å; L120-D125 WeakPolarHBondContact CD2-OD1 3.46Å; D125-S127 WeakPolarHBondContact OD1-CB 3.45Å; D125-S127 PolarHBondContact OD1-N 3.4Å; D125-S127 PolarHBondContact OD1-OG 3.03Å
126	R	97.2	Very high	97.8	Very high	185 Å²	185	45 Å²	45	70%	0.698	24%	0.242	S	C	*	.			trans	-125.4	18.5	-179.3	-58.8	-178.5	-175.1	178.5	0.4	111.4	G123	G123-R126 PolarHBondContact O-NE 3.24Å
127	S	98.3	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.			trans	-64.3	150.6	-177	59.4	0	0	0	0	110.9	H62 G64 V67 D125 D201	H62-S127 WeakPolarHBondContact O-CA 3.16Å; G64-S127 VanDerWaalsContact O-CB 3.27Å; G64-S127 WeakPolarHBondContact O-CB 3.35Å; V67-S127 WeakPolarHBondContact CG2-O 3.22Å; V67-S127 WeakPolarHBondContact CG2-OG 3.24Å; V67-S127 PolarHBondContact N-OG 2.9Å; D125-S127 WeakPolarHBondContact OD1-CB 3.45Å; D125-S127 PolarHBondContact OD1-N 3.4Å; D125-S127 PolarHBondContact OD1-OG 3.03Å; S127-D201 PolarHBondContact O-N 2.79Å
128	G	98.7	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	169.8	163.9	0	0	0	0	0	109	G61 H62 L199	G61-G128 WeakPolarHBondContact CA-O 3.46Å; H62-G128 PolarHBondContact N-O 2.7Å; H62-G128 PolarHBondContact O-N 2.92Å; G128-L199 CarbonylContact C-O 3.53Å; G128-L199 WeakPolarHBondContact CA-O 3.32Å
129	S	98.9	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.5	174.2	-172.5	0	0	0	0	110.3	F59 D60 S68 S198 L199	F59-S129 WeakPolarHBondContact CB-OG 3.26Å; D60-S129 CarbonylContact O-C 3.5Å; D60-S129 VanDerWaalsContact O-CA 3.31Å; D60-S129 WeakPolarHBondContact O-CA 3.35Å; D60-S129 PolarHBondContact O-OG 3.37Å; S68-S129 WeakPolarHBondContact CA-OG 3.16Å; S68-S129 WeakPolarHBondContact CB-OG 3.37Å; S129-S198 CarbonylContact O-C 3.54Å; S129-S198 VanDerWaalsContact O-CA 3.29Å; S129-S198 WeakPolarHBondContact O-CA 3.4Å; S129-S198 WeakPolarHBondContact O-CB 3.25Å; S129-L199 PolarHBondContact N-O 3.36Å; S129-L199 PolarHBondContact O-N 2.68Å
130	T	98.9	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.215	C	C	.	.			trans	-67.7	163.9	157.5	80	0	0	0	0	109.4	F59 D60 C146 D148 S149 V195	F59-T130 WeakPolarHBondContact CA-O 3.41Å; D60-T130 HydrophobicContact CB-CG2 4.28Å; D60-T130 VanDerWaalsContact CB-OG1 3.23Å; D60-T130 WeakPolarHBondContact CB-OG1 3.31Å; D60-T130 PolarHBondContact N-OG1 2.87Å; D60-T130 PolarHBondContact O-N 3.01Å; T130-C146 CarbonylContact C-O 3.58Å; T130-C146 WeakPolarHBondContact CA-O 3.26Å; T130-C146 WeakPolarHBondContact CB-O 3.5Å; T130-D148 WeakPolarHBondContact CG2-OD1 3.47Å; T130-S149 PolarHBondContact OG1-OG 3.26Å; T130-V195 HydrophobicContact CG2-CG1 3.98Å
131	A	98.9	Very high	97.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	114.4	173.5	0	0	0	0	0	108.5	F59 F107 N145 C146 L199	F59-A131 HydrophobicContact CD1-CB 3.63Å; F59-A131 HydrophobicContact CE1-CB 3.66Å; F107-A131 HydrophobicContact CE1-CB 3.71Å; F107-A131 HydrophobicContact CZ-CB 4.16Å; A131-N145 CarbonylContact O-C 3.45Å; A131-C146 HydrophobicContact CB-CB 4.42Å; A131-C146 PolarHBondContact N-O 3.22Å; A131-C146 PolarHBondContact O-N 3.18Å; A131-L199 HydrophobicContact CB-CD1 3.68Å
132	V	98.9	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	163.8	69.4	0	0	0	0	108.2	A57 V58 A144 N145 A151 L238	A57-V132 CarbonylContact C-O 3.52Å; A57-V132 VanDerWaalsContact CA-O 3.22Å; A57-V132 WeakPolarHBondContact CA-O 3.36Å; V58-V132 HydrophobicContact CB-CG1 4.01Å; V58-V132 PolarHBondContact N-O 3.07Å; V58-V132 PolarHBondContact O-N 3.24Å; V132-A144 WeakPolarHBondContact CA-O 3.38Å; V132-N145 HydrophobicContact CG2-CB 4.35Å; V132-A151 HydrophobicContact CG2-CB 3.58Å; V132-L238 HydrophobicContact CG1-CB 4.17Å; V132-L238 HydrophobicContact CG1-CD2 4.29Å; V132-L238 WeakPolarHBondContact O-CD2 3.36Å
133	C	98.9	Very high	97.7	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.2	178.3	67.5	0	0	0	0	112.4	F55 F56 A57 A144	F55-C133 HydrophobicContact CE2-CB 3.58Å; F55-C133 HydrophobicContact CZ-CB 3.63Å; F56-C133 CarbonylContact O-C 3.51Å; F56-C133 WeakPolarHBondContact O-CA 3.4Å; F56-C133 WeakPolarHBondContact O-CB 3.36Å; A57-C133 HydrophobicContact CB-CB 3.54Å; C133-A144 PolarHBondContact N-O 3.43Å; C133-A144 PolarHBondContact O-N 3.24Å
134	V	98.9	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.9	170.2	-62.4	0	0	0	0	110.3	F55 F56 I136 I141 F142 F143 A151 I236 L238	F55-V134 WeakPolarHBondContact CA-O 3.31Å; F56-V134 HydrophobicContact CB-CG2 3.83Å; F56-V134 HydrophobicContact CD2-CG2 4.11Å; F56-V134 HydrophobicContact CG-CG2 4.46Å; F56-V134 PolarHBondContact N-O 3.35Å; F56-V134 PolarHBondContact O-N 3.06Å; V134-I136 HydrophobicContact CG2-CD1 4.21Å; V134-I136 HydrophobicContact CG2-CG1 4.22Å; V134-I141 HydrophobicContact CB-CG2 4.31Å; V134-I141 HydrophobicContact CG1-CG2 4.45Å; V134-F142 CarbonylContact C-O 3.54Å; V134-F142 VanDerWaalsContact CA-O 3.26Å; V134-F142 WeakPolarHBondContact CA-O 3.45Å; V134-F143 HydrophobicContact CG1-CD1 3.32Å; V134-F143 HydrophobicContact CG1-CE1 3.52Å; V134-F143 HydrophobicContact CG1-CG 4.07Å; V134-F143 HydrophobicContact CG1-CZ 4.39Å; V134-A151 HydrophobicContact CG1-CB 4.42Å; V134-I236 HydrophobicContact CG1-CG2 4.13Å; V134-I236 HydrophobicContact CG2-CG2 4.27Å; V134-L238 HydrophobicContact CG1-CD2 4.15Å; V134-L238 HydrophobicContact CG1-CG 4.46Å; V134-L238 HydrophobicContact CG2-CD1 3.95Å; V134-L238 HydrophobicContact CG2-CD2 4.21Å
135	L	98.5	Very high	98	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.9	168	-169.6	76	0	0	0	108	L46 W53 S54 F55 F85 V99 I103 F142	L46-L135 HydrophobicContact CD2-CD1 3.91Å; W53-L135 HydrophobicContact CE3-CD1 4.24Å; W53-L135 HydrophobicContact CE3-CD2 3.52Å; W53-L135 HydrophobicContact CE3-CG 3.77Å; W53-L135 HydrophobicContact CZ3-CD2 3.47Å; W53-L135 VanDerWaalsContact CZ3-CD2 3.47Å; W53-L135 HydrophobicContact CZ3-CG 4.18Å; S54-L135 CarbonylContact O-C 3.52Å; S54-L135 WeakPolarHBondContact O-CA 3.47Å; F55-L135 HydrophobicContact CB-CD1 4.1Å; F55-L135 HydrophobicContact CD2-CD1 4.01Å; F85-L135 HydrophobicContact CE1-CD2 3.7Å; F85-L135 HydrophobicContact CZ-CD2 3.57Å; V99-L135 HydrophobicContact CG1-CD2 4.25Å; I103-L135 HydrophobicContact CD1-CD2 4.25Å; L135-F142 HydrophobicContact CB-CB 4.2Å; L135-F142 PolarHBondContact N-O 3.43Å; L135-F142 PolarHBondContact O-N 2.86Å
136	I	98.2	Very high	98.1	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	-174	-55.5	173.3	0	0	0	108	L22 W53 S54 F56 V134 I141 I236 V291 F293	L22-I136 HydrophobicContact CD1-CB 4.47Å; L22-I136 HydrophobicContact CD1-CD1 3.82Å; L22-I136 HydrophobicContact CD1-CG2 4.29Å; W53-I136 CarbonylContact C-O 3.58Å; W53-I136 VanDerWaalsContact CA-O 3.23Å; W53-I136 WeakPolarHBondContact CA-O 3.49Å; S54-I136 PolarHBondContact N-O 2.91Å; S54-I136 PolarHBondContact O-N 3.45Å; F56-I136 HydrophobicContact CD2-CD1 4Å; F56-I136 HydrophobicContact CE2-CD1 3.97Å; V134-I136 HydrophobicContact CG2-CD1 4.21Å; V134-I136 HydrophobicContact CG2-CG1 4.22Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I136-I141 HydrophobicContact CG1-CG2 4.27Å; I136-I141 HydrophobicContact CG2-CG1 4.38Å; I136-I236 HydrophobicContact CD1-CD1 3.83Å; I136-I236 HydrophobicContact CG1-CD1 4.31Å; I136-V291 HydrophobicContact CD1-CG1 4.24Å; I136-F293 HydrophobicContact CD1-CZ 4.09Å; I136-F293 HydrophobicContact CG2-CE1 4.16Å; I136-F293 HydrophobicContact CG2-CZ 4.43Å
137	T	96	Very high	98.2	Very high	5 Å²	5	13 Å²	13	3%	0.031	7%	0.067	C	C	.	.			trans	-103.3	175.7	173.2	74.5	0	0	0	0	109.4	W53 K139 H140 F142 R228	W53-T137 HydrophobicContact CD2-CG2 3.6Å; W53-T137 HydrophobicContact CE3-CG2 3.42Å; W53-T137 VanDerWaalsContact CE3-CG2 3.42Å; W53-T137 HydrophobicContact CG-CG2 4.4Å; W53-T137 HydrophobicContact CH2-CG2 3.6Å; W53-T137 HydrophobicContact CZ2-CG2 3.8Å; W53-T137 HydrophobicContact CZ3-CG2 3.41Å; W53-T137 VanDerWaalsContact CZ3-CG2 3.41Å; T137-K139 PolarHBondContact O-N 3.49Å; T137-K139 VanDerWaalsContact O-N 3.14Å; T137-K139 PolarHBondContact OG1-N 3.44Å; T137-H140 PolarHBondContact N-O 2.63Å; T137-H140 PolarHBondContact OG1-N 2.88Å; T137-H140 PolarHBondContact OG1-O 2.83Å; T137-F142 HydrophobicContact CG2-CD2 4.16Å; T137-F142 HydrophobicContact CG2-CE2 3.74Å; T137-R228 WeakPolarHBondContact O-CD 3.41Å; T137-R228 PolarHBondContact O-NH1 3.37Å
138	P	94.1	Very high	98.2	Very high	81 Å²	81	13.1 Å²	13.1	53%	0.526	7%	0.067	S	C	.	.	S	Bend	trans	-59.5	-21.6	171.6	-28.1	37.6	0	0	0	114.7	D52	D52-P138 HydrophobicContact CB-CG 4.06Å; D52-P138 WeakPolarHBondContact O-CD 3.24Å
139	K	95.5	Very high	98.2	Very high	140 Å²	140	13.1 Å²	13.1	61%	0.609	7%	0.067	S	C	*	.	S	Bend	trans	-124.2	-22.3	-171.6	-67.1	-174.3	178.7	-180	0	115.7	T137 R228	T137-K139 PolarHBondContact O-N 3.49Å; T137-K139 VanDerWaalsContact O-N 3.14Å; T137-K139 PolarHBondContact OG1-N 3.44Å; K139-R228 WeakPolarHBondContact O-CB 3.18Å; K139-R228 PolarHBondContact O-N 3.07Å
140	H	97.5	Very high	98.2	Very high	30 Å²	30	15.1 Å²	15.1	14%	0.139	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.2	-173.5	-48.2	94.5	0	0	0	110.8	T137 F142 V225 V226 D227	T137-H140 PolarHBondContact N-O 2.63Å; T137-H140 PolarHBondContact OG1-N 2.88Å; T137-H140 PolarHBondContact OG1-O 2.83Å; H140-F142 HydrophobicContact CB-CD2 4.42Å; H140-F142 HydrophobicContact CB-CE2 3.83Å; H140-F142 HydrophobicContact CB-CZ 4.3Å; H140-V225 HydrophobicContact CB-CG1 3.97Å; H140-V226 CarbonylContact C-O 3.47Å; H140-V226 WeakPolarHBondContact CA-O 3.26Å; H140-D227 IonicContact CD2-OD1 3.36Å; H140-D227 PolarHBondContact CD2-OD1 3.36Å; H140-D227 IonicContact NE2-OD1 3.94Å; H140-D227 PolarHBondContact NE2-OD1 2.94Å
141	I	98.5	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.6	167	-57.2	150.1	0	0	0	107.1	V134 I136 F143 L153 V226 R228 I236 F293	V134-I141 HydrophobicContact CB-CG2 4.31Å; V134-I141 HydrophobicContact CG1-CG2 4.45Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I136-I141 HydrophobicContact CG1-CG2 4.27Å; I136-I141 HydrophobicContact CG2-CG1 4.38Å; I141-F143 HydrophobicContact CB-CD2 4.43Å; I141-F143 HydrophobicContact CB-CE2 3.82Å; I141-F143 HydrophobicContact CB-CZ 4.36Å; I141-F143 HydrophobicContact CG2-CD2 3.79Å; I141-F143 HydrophobicContact CG2-CE1 4.22Å; I141-F143 HydrophobicContact CG2-CE2 3.27Å; I141-F143 HydrophobicContact CG2-CG 4.43Å; I141-F143 HydrophobicContact CG2-CZ 3.51Å; I141-L153 HydrophobicContact CD1-CD1 4.17Å; I141-L153 HydrophobicContact CD1-CD2 4.35Å; I141-V226 PolarHBondContact N-O 3.36Å; I141-V226 PolarHBondContact O-N 2.76Å; I141-R228 HydrophobicContact CD1-CG 3.87Å; I141-R228 HydrophobicContact CG1-CG 3.66Å; I141-I236 HydrophobicContact CD1-CD1 4.02Å; I141-I236 HydrophobicContact CG1-CD1 4.27Å; I141-I236 HydrophobicContact CG2-CD1 3.84Å; I141-F293 HydrophobicContact CD1-CZ 4.07Å; I141-F293 HydrophobicContact CG1-CZ 4.47Å
142	F	98.7	Very high	98.2	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.1	172.8	-61	-101.7	0	0	0	107.7	L96 V99 E100 I103 V134 L135 T137 H140 V225	L96-F142 HydrophobicContact CD2-CE1 4.23Å; L96-F142 HydrophobicContact CD2-CZ 3.66Å; V99-F142 HydrophobicContact CB-CD1 4.34Å; V99-F142 HydrophobicContact CB-CE1 3.62Å; V99-F142 HydrophobicContact CB-CE2 4.47Å; V99-F142 HydrophobicContact CB-CZ 3.69Å; V99-F142 HydrophobicContact CG1-CD1 3.76Å; V99-F142 HydrophobicContact CG1-CD2 4.11Å; V99-F142 HydrophobicContact CG1-CE1 3.45Å; V99-F142 VanDerWaalsContact CG1-CE1 3.45Å; V99-F142 HydrophobicContact CG1-CE2 3.82Å; V99-F142 HydrophobicContact CG1-CG 4.1Å; V99-F142 HydrophobicContact CG1-CZ 3.49Å; V99-F142 VanDerWaalsContact CG1-CZ 3.49Å; V99-F142 HydrophobicContact CG2-CZ 4.12Å; E100-F142 HydrophobicContact CG-CD1 4.3Å; E100-F142 HydrophobicContact CG-CE1 4.27Å; I103-F142 HydrophobicContact CD1-CB 3.78Å; I103-F142 HydrophobicContact CD1-CD1 4.11Å; I103-F142 HydrophobicContact CD1-CG 4.09Å; V134-F142 CarbonylContact C-O 3.54Å; V134-F142 VanDerWaalsContact CA-O 3.26Å; V134-F142 WeakPolarHBondContact CA-O 3.45Å; L135-F142 HydrophobicContact CB-CB 4.2Å; L135-F142 PolarHBondContact N-O 3.43Å; L135-F142 PolarHBondContact O-N 2.86Å; T137-F142 HydrophobicContact CG2-CD2 4.16Å; T137-F142 HydrophobicContact CG2-CE2 3.74Å; H140-F142 HydrophobicContact CB-CD2 4.42Å; H140-F142 HydrophobicContact CB-CE2 3.83Å; H140-F142 HydrophobicContact CB-CZ 4.3Å; F142-V225 HydrophobicContact CD1-CB 4.36Å; F142-V225 HydrophobicContact CD1-CG1 4.13Å; F142-V225 HydrophobicContact CD1-CG2 3.5Å; F142-V225 HydrophobicContact CE1-CB 4.36Å; F142-V225 HydrophobicContact CE1-CG1 3.87Å; F142-V225 HydrophobicContact CE1-CG2 3.54Å; F142-V225 HydrophobicContact CG-CG2 4.47Å; F142-V225 HydrophobicContact CZ-CG1 4.11Å
143	F	98.9	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.9	170.2	-64.3	-94.7	0	0	0	108.1	V134 I141 A151 L153 F161 T163 I223 T224 V226 I236	V134-F143 HydrophobicContact CG1-CD1 3.32Å; V134-F143 HydrophobicContact CG1-CE1 3.52Å; V134-F143 HydrophobicContact CG1-CG 4.07Å; V134-F143 HydrophobicContact CG1-CZ 4.39Å; I141-F143 HydrophobicContact CB-CD2 4.43Å; I141-F143 HydrophobicContact CB-CE2 3.82Å; I141-F143 HydrophobicContact CB-CZ 4.36Å; I141-F143 HydrophobicContact CG2-CD2 3.79Å; I141-F143 HydrophobicContact CG2-CE1 4.22Å; I141-F143 HydrophobicContact CG2-CE2 3.27Å; I141-F143 HydrophobicContact CG2-CG 4.43Å; I141-F143 HydrophobicContact CG2-CZ 3.51Å; F143-A151 HydrophobicContact CD1-CB 3.81Å; F143-A151 HydrophobicContact CE1-CB 4.16Å; F143-L153 HydrophobicContact CZ-CB 3.95Å; F143-F161 HydrophobicContact CB-CE1 3.75Å; F143-F161 HydrophobicContact CB-CZ 4.31Å; F143-F161 HydrophobicContact CD1-CD1 4.06Å; F143-F161 AromaticContact CD1-CE1 3.76Å; F143-F161 HydrophobicContact CD1-CE1 3.76Å; F143-F161 AromaticContact CD2-CD1 3.72Å; F143-F161 HydrophobicContact CD2-CD1 3.72Å; F143-F161 AromaticContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CZ 4.38Å; F143-F161 HydrophobicContact CE1-CD1 4.07Å; F143-F161 HydrophobicContact CE1-CE1 4.24Å; F143-F161 AromaticContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CE1 4.02Å; F143-F161 AromaticContact CG-CD1 3.91Å; F143-F161 HydrophobicContact CG-CD1 3.91Å; F143-F161 AromaticContact CG-CE1 3.38Å; F143-F161 HydrophobicContact CG-CE1 3.38Å; F143-F161 HydrophobicContact CG-CZ 4.33Å; F143-F161 AromaticContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CE1 4.37Å; F143-T163 HydrophobicContact CB-CG2 3.95Å; F143-T163 HydrophobicContact CD1-CG2 4.34Å; F143-T163 HydrophobicContact CG-CG2 4.49Å; F143-I223 CarbonylContact O-C 3.57Å; F143-I223 VanDerWaalsContact O-CA 3.23Å; F143-I223 WeakPolarHBondContact O-CA 3.35Å; F143-T224 PolarHBondContact N-O 2.8Å; F143-T224 PolarHBondContact O-N 2.88Å; F143-V226 HydrophobicContact CD2-CG2 4.13Å; F143-V226 HydrophobicContact CE2-CB 4.22Å; F143-V226 HydrophobicContact CE2-CG2 3.94Å; F143-I236 HydrophobicContact CE1-CD1 4.49Å; F143-I236 HydrophobicContact CE1-CG1 4.34Å; F143-I236 HydrophobicContact CE1-CG2 4.29Å; F143-I236 HydrophobicContact CZ-CD1 4.17Å; F143-I236 HydrophobicContact CZ-CG1 4.15Å
144	A	98.9	Very high	98.2	Very high	1 Å²	1	15 Å²	15	1%	0.008	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.7	173.8	0	0	0	0	0	109	I103 F107 V132 C133 P221 E222 I223	I103-A144 HydrophobicContact CG2-CB 3.79Å; F107-A144 HydrophobicContact CE2-CB 4.32Å; F107-A144 HydrophobicContact CZ-CB 4.36Å; V132-A144 WeakPolarHBondContact CA-O 3.38Å; C133-A144 PolarHBondContact N-O 3.43Å; C133-A144 PolarHBondContact O-N 3.24Å; A144-P221 HydrophobicContact CB-CB 4.17Å; A144-E222 WeakPolarHBondContact CA-O 3.29Å; A144-I223 HydrophobicContact CB-CG1 4Å
145	N	98.9	Very high	98.2	Very high	2 Å²	2	18 Å²	18	1%	0.011	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.9	-178.3	-171.1	35.6	0	0	0	111.7	A131 V132 G147 S149 T163 V164 H166 P221 E222	A131-N145 CarbonylContact O-C 3.45Å; V132-N145 HydrophobicContact CG2-CB 4.35Å; N145-G147 PolarHBondContact ND2-O 3.31Å; N145-G147 VanDerWaalsContact ND2-O 3.1Å; N145-S149 PolarHBondContact ND2-O 3.28Å; N145-S149 PolarHBondContact OD1-O 3.39Å; N145-S149 VanDerWaalsContact OD1-O 3.04Å; N145-T163 HydrophobicContact CB-CG2 4.04Å; N145-V164 PolarHBondContact ND2-O 3.15Å; N145-H166 PolarHBondContact ND2-ND1 3Å; N145-H166 PolarHBondContact O-CE1 2.55Å; N145-P221 CarbonylContact O-C 3.48Å; N145-P221 VanDerWaalsContact O-CA 3.24Å; N145-P221 WeakPolarHBondContact O-CA 3.49Å; N145-E222 PolarHBondContact N-O 2.83Å; N145-E222 PolarHBondContact O-N 2.84Å
146	C	98.9	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	97.5	175.2	-171.7	0	0	0	0	108.1	F107 T130 A131 P221	F107-C146 HydrophobicContact CD1-CB 4.25Å; F107-C146 HydrophobicContact CE1-CB 3.81Å; T130-C146 CarbonylContact C-O 3.58Å; T130-C146 WeakPolarHBondContact CA-O 3.26Å; T130-C146 WeakPolarHBondContact CB-O 3.5Å; A131-C146 HydrophobicContact CB-CB 4.42Å; A131-C146 PolarHBondContact N-O 3.22Å; A131-C146 PolarHBondContact O-N 3.18Å; C146-P221 HydrophobicContact CB-CB 4.4Å
147	G	98.8	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	112.5	-156.5	-172.3	0	0	0	0	0	112.7	N145 H166 R197	N145-G147 PolarHBondContact ND2-O 3.31Å; N145-G147 VanDerWaalsContact ND2-O 3.1Å; G147-H166 PolarHBondContact N-ND1 3.46Å; G147-H166 WeakPolarHBondContact O-CB 3.45Å; G147-H166 PolarHBondContact O-N 3.23Å; G147-H166 PolarHBondContact O-ND1 3.26Å; G147-R197 WeakPolarHBondContact CA-O 3.28Å; G147-R197 PolarHBondContact N-O 3.07Å
148	D	98.5	Very high	98.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	16%	0.162	C	C	.	.	S	Bend	trans	-118.1	7.6	-171.5	59.1	-8.3	0	0	0	115.3	T130 D165 K167 V195	T130-D148 WeakPolarHBondContact CG2-OD1 3.47Å; D148-D165 HydrophobicContact CB-CB 3.97Å; D148-K167 HydrophobicContact CB-CD 3.85Å; D148-K167 VanDerWaalsContact CB-CE 3.4Å; D148-K167 VanDerWaalsContact CB-NZ 3.31Å; D148-K167 IonicContact OD2-NZ 3.65Å; D148-K167 PolarHBondContact OD2-NZ 3.18Å; D148-V195 HydrophobicContact CB-CG1 4.44Å; D148-V195 VanDerWaalsContact CG-CG1 3.45Å; D148-V195 WeakPolarHBondContact OD1-CG1 3.49Å; D148-V195 WeakPolarHBondContact OD2-CG1 3.48Å
149	S	98.8	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.			trans	-58.5	154	148	-70	0	0	0	0	109.8	D60 T130 N145 A239 C240	D60-S149 WeakPolarHBondContact CB-OG 3.37Å; T130-S149 PolarHBondContact OG1-OG 3.26Å; N145-S149 PolarHBondContact ND2-O 3.28Å; N145-S149 PolarHBondContact OD1-O 3.39Å; N145-S149 VanDerWaalsContact OD1-O 3.04Å; S149-A239 WeakPolarHBondContact CA-O 3.35Å; S149-A239 WeakPolarHBondContact CB-O 3.42Å; S149-C240 WeakPolarHBondContact OG-CA 3.31Å
150	R	98.9	Very high	98.5	Very high	43 Å²	43	27.9 Å²	27.9	16%	0.162	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.6	-175.3	-171.8	-169.6	-60.6	155	8.6	112	I152 T163 D165 L238 A239 W244 N249	R150-I152 HydrophobicContact CG-CG2 4.41Å; R150-T163 WeakPolarHBondContact CA-OG1 3.42Å; R150-T163 WeakPolarHBondContact CG-OG1 3.35Å; R150-D165 IonicContact CZ-OD1 2.81Å; R150-D165 IonicContact CZ-OD2 2.99Å; R150-D165 IonicContact NE-OD1 2.66Å; R150-D165 PolarHBondContact NE-OD1 3.2Å; R150-D165 IonicContact NE-OD2 3.69Å; R150-D165 IonicContact NH2-OD1 2.98Å; R150-D165 PolarHBondContact NH2-OD1 3.02Å; R150-D165 IonicContact NH2-OD2 2.8Å; R150-D165 PolarHBondContact NH2-OD2 3.43Å; R150-L238 WeakPolarHBondContact O-CA 3.33Å; R150-A239 PolarHBondContact N-O 3.25Å; R150-A239 PolarHBondContact O-N 2.77Å; R150-W244 HydrophobicContact CB-CD2 4.15Å; R150-W244 HydrophobicContact CB-CG 4.13Å; R150-W244 HydrophobicContact CB-CZ2 4.29Å; R150-W244 PolarHBondContact O-NE1 3.12Å; R150-N249 WeakPolarHBondContact CD-OD1 3.12Å; R150-N249 PolarHBondContact NH1-OD1 2.95Å
151	A	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.9	168.1	0	0	0	0	0	111	V132 V134 F143 A162 T163 V237 L238	V132-A151 HydrophobicContact CG2-CB 3.58Å; V134-A151 HydrophobicContact CG1-CB 4.42Å; F143-A151 HydrophobicContact CD1-CB 3.81Å; F143-A151 HydrophobicContact CE1-CB 4.16Å; A151-A162 CarbonylContact O-C 3.16Å; A151-A162 WeakPolarHBondContact O-CA 3.2Å; A151-T163 HydrophobicContact CB-CG2 4.12Å; A151-T163 PolarHBondContact N-OG1 3.18Å; A151-T163 PolarHBondContact O-N 3.4Å; A151-T163 PolarHBondContact O-OG1 3.34Å; A151-V237 CarbonylContact C-O 3.59Å; A151-V237 WeakPolarHBondContact CA-O 3.46Å; A151-L238 HydrophobicContact CB-CD2 4.44Å; A151-L238 HydrophobicContact CB-CG 4.01Å
152	I	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.4	173.5	67	167.4	0	0	0	111.1	R150 I154 V159 F161 A162 I236 V237 W244 N249 I252	R150-I152 HydrophobicContact CG-CG2 4.41Å; I152-I154 HydrophobicContact CD1-CD1 4.19Å; I152-I154 HydrophobicContact CD1-CG1 4.14Å; I152-V159 HydrophobicContact CB-CG1 4.46Å; I152-V159 HydrophobicContact CD1-CG2 4.48Å; I152-F161 CarbonylContact C-O 3.58Å; I152-F161 VanDerWaalsContact CA-O 3.28Å; I152-F161 WeakPolarHBondContact CA-O 3.33Å; I152-A162 HydrophobicContact CG2-CB 3.72Å; I152-I236 VanDerWaalsContact O-CA 3.3Å; I152-I236 WeakPolarHBondContact O-CA 3.3Å; I152-V237 HydrophobicContact CD1-CB 4.41Å; I152-V237 HydrophobicContact CG1-CB 3.82Å; I152-V237 HydrophobicContact CG1-CG2 4.37Å; I152-V237 PolarHBondContact N-O 3.18Å; I152-V237 PolarHBondContact O-N 3.09Å; I152-W244 HydrophobicContact CD1-CH2 3.88Å; I152-W244 HydrophobicContact CD1-CZ3 4.45Å; I152-W244 HydrophobicContact CG1-CH2 3.93Å; I152-W244 HydrophobicContact CG2-CH2 3.81Å; I152-W244 HydrophobicContact CG2-CZ2 4.38Å; I152-W244 HydrophobicContact CG2-CZ3 4.38Å; I152-N249 HydrophobicContact CG2-CB 4.4Å; I152-I252 HydrophobicContact CD1-CG2 4.38Å
153	L	98.9	Very high	98.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126	167	178.6	62.9	0	0	0	108.8	I141 F143 A160 F161 V226 I236 F293	I141-L153 HydrophobicContact CD1-CD1 4.17Å; I141-L153 HydrophobicContact CD1-CD2 4.35Å; F143-L153 HydrophobicContact CZ-CB 3.95Å; L153-A160 PolarHBondContact O-N 3.48Å; L153-F161 HydrophobicContact CB-CB 3.99Å; L153-F161 PolarHBondContact N-O 2.72Å; L153-F161 PolarHBondContact O-N 2.82Å; L153-V226 HydrophobicContact CD2-CG1 3.95Å; L153-I236 HydrophobicContact CD1-CD1 4.44Å; L153-I236 HydrophobicContact CD1-CG1 3.76Å; L153-F293 HydrophobicContact CD1-CE2 4.45Å
154	I	98.8	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.4	169.8	-58.1	165.1	0	0	0	107.9	I152 K158 E234 I235 C253 L256	I152-I154 HydrophobicContact CD1-CD1 4.19Å; I152-I154 HydrophobicContact CD1-CG1 4.14Å; I154-K158 CarbonylContact C-O 3.55Å; I154-K158 VanDerWaalsContact CA-O 3.27Å; I154-K158 WeakPolarHBondContact CA-O 3.25Å; I154-E234 PolarHBondContact O-N 2.9Å; I154-I235 HydrophobicContact CB-CB 4.11Å; I154-I235 HydrophobicContact CD1-CB 4.13Å; I154-I235 HydrophobicContact CD1-CD1 4.21Å; I154-I235 HydrophobicContact CD1-CG2 4.23Å; I154-I235 PolarHBondContact N-O 3.18Å; I154-I235 PolarHBondContact O-N 3.18Å; I154-I235 VanDerWaalsContact O-N 3.17Å; I154-C253 HydrophobicContact CD1-CB 3.9Å; I154-C253 HydrophobicContact CG1-CB 4.17Å; I154-L256 HydrophobicContact CD1-CD1 4.16Å
155	R	98.5	Very high	98.5	Very high	63 Å²	63	35.4 Å²	35.4	24%	0.238	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.8	177.7	-174.8	176.6	-74.7	-179.8	-2.1	108.4	G157 K158 A160 D227 L232 D233	R155-G157 VanDerWaalsContact C-N 3.3Å; R155-G157 PolarHBondContact O-N 3.09Å; R155-K158 PolarHBondContact N-O 3.41Å; R155-K158 PolarHBondContact O-N 3.4Å; R155-K158 VanDerWaalsContact O-N 3.11Å; R155-A160 HydrophobicContact CB-CB 3.63Å; R155-D227 PolarHBondContact NH2-O 3.03Å; R155-L232 WeakPolarHBondContact CA-O 3.4Å; R155-L232 HydrophobicContact CG-CB 3.55Å; R155-L232 VanDerWaalsContact CG-O 3.28Å; R155-L232 WeakPolarHBondContact CG-O 3.5Å; R155-D233 IonicContact CZ-OD1 2.69Å; R155-D233 IonicContact NE-OD1 2.81Å; R155-D233 PolarHBondContact NE-OD1 3.48Å; R155-D233 IonicContact NH2-OD1 3.15Å; R155-D233 PolarHBondContact NH2-OD1 2.89Å; R155-D233 IonicContact NH2-OD2 2.62Å
156	K	97.4	Very high	98.5	Very high	156 Å²	156	35.5 Å²	35.5	68%	0.678	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	48.4	179	-162.6	-177.2	180	171.6	0	113.1	K158 L232 E234	K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.62Å; K156-L232 HydrophobicContact CD-CD2 4.49Å; K156-L232 PolarHBondContact N-O 3Å; K156-L232 VanDerWaalsContact N-O 3.07Å; K156-E234 WeakPolarHBondContact CA-OE1 3.43Å; K156-E234 PolarHBondContact N-OE1 2.68Å
157	G	96.4	Very high	98.5	Very high	31 Å²	31	37.9 Å²	37.9	32%	0.32	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	14.8	178.3	0	0	0	0	0	115.9	R155 E234	R155-G157 VanDerWaalsContact C-N 3.3Å; R155-G157 PolarHBondContact O-N 3.09Å; G157-E234 WeakPolarHBondContact CA-OE2 3.14Å; G157-E234 VanDerWaalsContact N-CD 3.32Å; G157-E234 PolarHBondContact N-OE1 2.72Å; G157-E234 PolarHBondContact N-OE2 2.83Å
158	K	98.2	Very high	98.5	Very high	157 Å²	157	37.9 Å²	37.9	68%	0.683	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	149	-179.1	-63.4	-175.3	-179.8	-176	0	111.9	I154 R155 K156 A160	I154-K158 CarbonylContact C-O 3.55Å; I154-K158 VanDerWaalsContact CA-O 3.27Å; I154-K158 WeakPolarHBondContact CA-O 3.25Å; R155-K158 PolarHBondContact N-O 3.41Å; R155-K158 PolarHBondContact O-N 3.4Å; R155-K158 VanDerWaalsContact O-N 3.11Å; K156-K158 VanDerWaalsContact C-N 3.3Å; K156-K158 PolarHBondContact O-N 2.62Å; K158-A160 PolarHBondContact O-N 2.95Å; K158-A160 VanDerWaalsContact O-N 3.08Å
159	V	98.6	Very high	98.5	Very high	39 Å²	39	41 Å²	41	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	108.8	169.8	-175.3	0	0	0	0	108.4	I152 N249 C253	I152-V159 HydrophobicContact CB-CG1 4.46Å; I152-V159 HydrophobicContact CD1-CG2 4.48Å; V159-N249 HydrophobicContact CG1-CB 4.22Å; V159-N249 HydrophobicContact CG2-CB 3.97Å; V159-N249 WeakPolarHBondContact CG2-O 3.21Å; V159-C253 HydrophobicContact CG2-CB 3.72Å
160	A	98.5	Very high	98.5	Very high	59 Å²	59	43.3 Å²	43.3	49%	0.488	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-26.2	179.7	0	0	0	0	0	112.4	L153 R155 K158	L153-A160 PolarHBondContact O-N 3.48Å; R155-A160 HydrophobicContact CB-CB 3.63Å; K158-A160 PolarHBondContact O-N 2.95Å; K158-A160 VanDerWaalsContact O-N 3.08Å
161	F	98.7	Very high	98.4	Very high	41 Å²	41	46.3 Å²	46.3	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148.7	176.5	175.3	-99.1	0	0	0	110.2	F143 I152 L153 T163 T224 V226	F143-F161 HydrophobicContact CB-CE1 3.75Å; F143-F161 HydrophobicContact CB-CZ 4.31Å; F143-F161 HydrophobicContact CD1-CD1 4.06Å; F143-F161 AromaticContact CD1-CE1 3.76Å; F143-F161 HydrophobicContact CD1-CE1 3.76Å; F143-F161 AromaticContact CD2-CD1 3.72Å; F143-F161 HydrophobicContact CD2-CD1 3.72Å; F143-F161 AromaticContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CZ 4.38Å; F143-F161 HydrophobicContact CE1-CD1 4.07Å; F143-F161 HydrophobicContact CE1-CE1 4.24Å; F143-F161 AromaticContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CE1 4.02Å; F143-F161 AromaticContact CG-CD1 3.91Å; F143-F161 HydrophobicContact CG-CD1 3.91Å; F143-F161 AromaticContact CG-CE1 3.38Å; F143-F161 HydrophobicContact CG-CE1 3.38Å; F143-F161 HydrophobicContact CG-CZ 4.33Å; F143-F161 AromaticContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CE1 4.37Å; I152-F161 CarbonylContact C-O 3.58Å; I152-F161 VanDerWaalsContact CA-O 3.28Å; I152-F161 WeakPolarHBondContact CA-O 3.33Å; L153-F161 HydrophobicContact CB-CB 3.99Å; L153-F161 PolarHBondContact N-O 2.72Å; L153-F161 PolarHBondContact O-N 2.82Å; F161-T163 HydrophobicContact CE1-CG2 3.88Å; F161-T163 HydrophobicContact CZ-CG2 4.23Å; F161-T224 HydrophobicContact CD2-CG2 4.42Å; F161-T224 HydrophobicContact CE2-CG2 3.57Å; F161-T224 HydrophobicContact CZ-CG2 3.75Å; F161-V226 HydrophobicContact CD1-CG2 4.48Å; F161-V226 HydrophobicContact CD2-CG2 4.33Å; F161-V226 HydrophobicContact CG-CG2 4.17Å
162	A	98.8	Very high	98.4	Very high	31 Å²	31	52.8 Å²	52.8	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.4	170.5	0	0	0	0	0	108.6	A151 I152	A151-A162 CarbonylContact O-C 3.16Å; A151-A162 WeakPolarHBondContact O-CA 3.2Å; I152-A162 HydrophobicContact CG2-CB 3.72Å
163	T	98.9	Very high	98.4	Very high	13 Å²	13	53 Å²	53	8%	0.08	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.5	155.5	169.4	57.9	0	0	0	0	110.2	F143 N145 R150 A151 F161	F143-T163 HydrophobicContact CB-CG2 3.95Å; F143-T163 HydrophobicContact CD1-CG2 4.34Å; F143-T163 HydrophobicContact CG-CG2 4.49Å; N145-T163 HydrophobicContact CB-CG2 4.04Å; R150-T163 WeakPolarHBondContact CA-OG1 3.42Å; R150-T163 WeakPolarHBondContact CG-OG1 3.35Å; A151-T163 HydrophobicContact CB-CG2 4.12Å; A151-T163 PolarHBondContact N-OG1 3.18Å; A151-T163 PolarHBondContact O-N 3.4Å; A151-T163 PolarHBondContact O-OG1 3.34Å; F161-T163 HydrophobicContact CE1-CG2 3.88Å; F161-T163 HydrophobicContact CZ-CG2 4.23Å
164	V	98.4	Very high	98.4	Very high	85 Å²	85	57.1 Å²	57.1	52%	0.515	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-94.2	126.9	174.8	-177.9	0	0	0	0	109.3	N145	N145-V164 PolarHBondContact ND2-O 3.15Å
165	D	98.7	Very high	98.4	Very high	20 Å²	20	61.8 Å²	61.8	11%	0.107	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-67.2	132.8	176.7	-56.9	7	0	0	0	110.6	D148 R150 K167 N170	D148-D165 HydrophobicContact CB-CB 3.97Å; R150-D165 IonicContact CZ-OD1 2.81Å; R150-D165 IonicContact CZ-OD2 2.99Å; R150-D165 IonicContact NE-OD1 2.66Å; R150-D165 PolarHBondContact NE-OD1 3.2Å; R150-D165 IonicContact NE-OD2 3.69Å; R150-D165 IonicContact NH2-OD1 2.98Å; R150-D165 PolarHBondContact NH2-OD1 3.02Å; R150-D165 IonicContact NH2-OD2 2.8Å; R150-D165 PolarHBondContact NH2-OD2 3.43Å; D165-K167 HydrophobicContact CB-CG 4.2Å; D165-K167 PolarHBondContact O-N 3.4Å; D165-K167 VanDerWaalsContact O-N 3.12Å; D165-N170 PolarHBondContact O-ND2 2.8Å
166	H	98.7	Very high	98.4	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.019	33%	0.326	C	S	.	.			trans	-85.5	84.6	177.9	-61.6	104.5	0	0	0	111.3	N145 G147 S196 R197 E222	N145-H166 PolarHBondContact ND2-ND1 3Å; N145-H166 PolarHBondContact O-CE1 2.55Å; G147-H166 PolarHBondContact N-ND1 3.46Å; G147-H166 WeakPolarHBondContact O-CB 3.45Å; G147-H166 PolarHBondContact O-N 3.23Å; G147-H166 PolarHBondContact O-ND1 3.26Å; H166-S196 VanDerWaalsContact C-OG 3.24Å; H166-S196 PolarHBondContact O-N 2.85Å; H166-S196 VanDerWaalsContact O-N 3.08Å; H166-S196 PolarHBondContact O-OG 2.84Å; H166-S196 VanDerWaalsContact O-OG 3.07Å; H166-R197 HydrophobicContact CB-CB 3.98Å; H166-R197 HydrophobicContact CB-CG 3.85Å; H166-R197 VanDerWaalsContact CD2-CZ 3.42Å; H166-R197 PolarHBondContact CD2-NE 3.33Å; H166-R197 VanDerWaalsContact CD2-NE 3.27Å; H166-R197 VanDerWaalsContact NE2-CZ 3.3Å; H166-R197 PolarHBondContact NE2-NH1 3.06Å; H166-E222 IonicContact NE2-OE2 3.66Å
167	K	98.5	Very high	98.4	Very high	49 Å²	49	52.8 Å²	52.8	21%	0.213	29%	0.294	C	S	.	.			trans	-97.7	143.4	176.4	-56.7	-70.1	-172.2	176.5	0	110.6	D148 D165 V169 N170	D148-K167 HydrophobicContact CB-CD 3.85Å; D148-K167 VanDerWaalsContact CB-CE 3.4Å; D148-K167 VanDerWaalsContact CB-NZ 3.31Å; D148-K167 IonicContact OD2-NZ 3.65Å; D148-K167 PolarHBondContact OD2-NZ 3.18Å; D165-K167 HydrophobicContact CB-CG 4.2Å; D165-K167 PolarHBondContact O-N 3.4Å; D165-K167 VanDerWaalsContact O-N 3.12Å; K167-V169 HydrophobicContact CB-CG2 4.13Å; K167-V169 PolarHBondContact O-N 3.42Å; K167-N170 PolarHBondContact N-ND2 3.32Å; K167-N170 VanDerWaalsContact O-CB 3.31Å; K167-N170 WeakPolarHBondContact O-CB 3.44Å; K167-N170 PolarHBondContact O-N 2.67Å
168	P	98.6	Very high	98.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.2	179.4	-29.9	37.2	0	0	0	115.2	N170 K174 I177 V184 Q187 V189 A194	P168-N170 VanDerWaalsContact C-N 3.32Å; P168-K174 WeakPolarHBondContact O-CB 3.19Å; P168-I177 HydrophobicContact CB-CD1 3.95Å; P168-V184 HydrophobicContact CB-CG1 3.89Å; P168-V184 HydrophobicContact CB-CG2 4.07Å; P168-V184 WeakPolarHBondContact O-CG2 3.39Å; P168-Q187 WeakPolarHBondContact CG-O 3.27Å; P168-V189 HydrophobicContact CB-CG2 3.95Å; P168-V189 HydrophobicContact CG-CG2 3.6Å; P168-A194 WeakPolarHBondContact CD-O 2.94Å
169	V	98.2	Very high	98.5	Very high	68 Å²	68	53.6 Å²	53.6	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.7	179.1	-64.6	0	0	0	0	113.8	K167 V184 Q187	K167-V169 HydrophobicContact CB-CG2 4.13Å; K167-V169 PolarHBondContact O-N 3.42Å; V169-V184 HydrophobicContact CG1-CG1 4.08Å; V169-Q187 HydrophobicContact CG1-CB 3.69Å; V169-Q187 HydrophobicContact CG1-CG 3.78Å
170	N	98.5	Very high	98.5	Very high	48 Å²	48	52.5 Å²	52.5	26%	0.257	29%	0.29	S	S	.	.	S	Bend	trans	-63.1	138.4	179.7	-67.4	-5.9	0	0	0	109.9	D165 K167 P168 N172 E173 K174	D165-N170 PolarHBondContact O-ND2 2.8Å; K167-N170 PolarHBondContact N-ND2 3.32Å; K167-N170 VanDerWaalsContact O-CB 3.31Å; K167-N170 WeakPolarHBondContact O-CB 3.44Å; K167-N170 PolarHBondContact O-N 2.67Å; P168-N170 VanDerWaalsContact C-N 3.32Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-E173 HydrophobicContact CB-CB 4.11Å; N170-E173 HydrophobicContact CB-CG 3.79Å; N170-E173 PolarHBondContact O-N 3.31Å; N170-E173 VanDerWaalsContact O-N 3.12Å; N170-K174 WeakPolarHBondContact O-CB 3.22Å; N170-K174 PolarHBondContact O-N 2.93Å
171	P	98.3	Very high	98.4	Very high	107 Å²	107	53.2 Å²	53.2	70%	0.695	30%	0.303	S	S	*	.	H	α-helix	trans	-54.1	-48.1	-170.4	-29.8	35.7	0	0	0	115	Q175	P171-Q175 WeakPolarHBondContact O-CB 3.42Å; P171-Q175 PolarHBondContact O-N 3.12Å
172	N	97.9	Very high	98.4	Very high	135 Å²	135	51.9 Å²	51.9	72%	0.722	30%	0.301	S	S	*	.	H	α-helix	trans	-67	-39.8	-179.9	-65.9	-22.4	0	0	0	111.8	N170 Q175 R176	N170-N172 PolarHBondContact O-N 3.04Å; N172-Q175 PolarHBondContact O-N 2.96Å; N172-R176 PolarHBondContact O-N 3.05Å
173	E	98.7	Very high	98.4	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-47.7	178.6	-56.5	-58.9	105.8	0	0	110.9	N170 Q175 R176 I177 S196 R197	N170-E173 HydrophobicContact CB-CB 4.11Å; N170-E173 HydrophobicContact CB-CG 3.79Å; N170-E173 PolarHBondContact O-N 3.31Å; N170-E173 VanDerWaalsContact O-N 3.12Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.34Å; E173-R176 PolarHBondContact O-N 3.11Å; E173-R176 IonicContact OE1-NH1 3.57Å; E173-R176 PolarHBondContact OE1-NH1 2.96Å; E173-R176 IonicContact OE2-CZ 2.82Å; E173-R176 VanDerWaalsContact OE2-CZ 3.25Å; E173-R176 IonicContact OE2-NH1 3.29Å; E173-R176 PolarHBondContact OE2-NH1 3.33Å; E173-R176 IonicContact OE2-NH2 3.41Å; E173-R176 PolarHBondContact OE2-NH2 3.25Å; E173-I177 WeakPolarHBondContact O-CD1 3.43Å; E173-I177 VanDerWaalsContact O-CG1 3.25Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 2.79Å; E173-S196 VanDerWaalsContact CG-OG 3.3Å; E173-S196 WeakPolarHBondContact CG-OG 3.26Å; E173-S196 WeakPolarHBondContact OE2-CB 3.38Å; E173-S196 PolarHBondContact OE2-OG 3.08Å; E173-R197 IonicContact OE1-CZ 2.67Å; E173-R197 IonicContact OE1-NE 2.8Å; E173-R197 PolarHBondContact OE1-NE 2.87Å; E173-R197 IonicContact OE1-NH2 2.68Å; E173-R197 PolarHBondContact OE1-NH2 3.2Å; E173-R197 VanDerWaalsContact OE2-CG 3.26Å; E173-R197 WeakPolarHBondContact OE2-CG 3.41Å; E173-R197 IonicContact OE2-NE 3.5Å; E173-R197 PolarHBondContact OE2-NE 3.29Å
174	K	98.6	Very high	98.3	Very high	87 Å²	87	53.6 Å²	53.6	38%	0.378	31%	0.31	S	S	.	.	H	α-helix	trans	-58.4	-43.1	176.1	-175	172.9	-177.6	-179.5	0	111.7	P168 N170 I177 Q178 V184	P168-K174 WeakPolarHBondContact O-CB 3.19Å; N170-K174 WeakPolarHBondContact O-CB 3.22Å; N170-K174 PolarHBondContact O-N 2.93Å; K174-I177 PolarHBondContact O-N 2.92Å; K174-Q178 WeakPolarHBondContact O-CB 3.19Å; K174-Q178 VanDerWaalsContact O-CG 3.29Å; K174-Q178 WeakPolarHBondContact O-CG 3.42Å; K174-Q178 PolarHBondContact O-N 2.87Å; K174-V184 HydrophobicContact CB-CG2 4.37Å; K174-V184 HydrophobicContact CG-CG2 3.94Å
175	Q	98.6	Very high	98.3	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-45.6	177.7	-173.9	63.6	62.3	0	0	111.4	P171 N172 E173 Q178 N179	P171-Q175 WeakPolarHBondContact O-CB 3.42Å; P171-Q175 PolarHBondContact O-N 3.12Å; N172-Q175 PolarHBondContact O-N 2.96Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.34Å; Q175-Q178 PolarHBondContact O-N 3.18Å; Q175-N179 PolarHBondContact NE2-OD1 2.88Å; Q175-N179 WeakPolarHBondContact O-CB 3.42Å; Q175-N179 PolarHBondContact O-N 2.8Å; Q175-N179 PolarHBondContact O-OD1 3.25Å
176	R	98.7	Very high	98.2	Very high	30 Å²	30	59.1 Å²	59.1	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-49.6	174.6	-177.4	-169	62	-109.2	-3.7	111.1	N172 E173 Q178 N179 A180 S196 T213 Q215	N172-R176 PolarHBondContact O-N 3.05Å; E173-R176 PolarHBondContact O-N 3.11Å; E173-R176 IonicContact OE1-NH1 3.57Å; E173-R176 PolarHBondContact OE1-NH1 2.96Å; E173-R176 IonicContact OE2-CZ 2.82Å; E173-R176 VanDerWaalsContact OE2-CZ 3.25Å; E173-R176 IonicContact OE2-NH1 3.29Å; E173-R176 PolarHBondContact OE2-NH1 3.33Å; E173-R176 IonicContact OE2-NH2 3.41Å; E173-R176 PolarHBondContact OE2-NH2 3.25Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.81Å; R176-N179 PolarHBondContact O-N 3.31Å; R176-N179 VanDerWaalsContact O-N 3.17Å; R176-A180 WeakPolarHBondContact O-CB 3.42Å; R176-A180 PolarHBondContact O-N 2.68Å; R176-S196 PolarHBondContact NH2-O 3.36Å; R176-T213 WeakPolarHBondContact CD-O 3.28Å; R176-Q215 VanDerWaalsContact CD-O 3.28Å; R176-Q215 WeakPolarHBondContact CD-O 3.29Å; R176-Q215 PolarHBondContact NE-O 3.16Å; R176-Q215 VanDerWaalsContact NE-O 3.12Å
177	I	98.7	Very high	98.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-56.4	-43.5	179.7	-69.9	157.7	0	0	0	111.2	P168 E173 K174 A180 G181 G182 V184 V189 L216	P168-I177 HydrophobicContact CB-CD1 3.95Å; E173-I177 WeakPolarHBondContact O-CD1 3.43Å; E173-I177 VanDerWaalsContact O-CG1 3.25Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 2.79Å; K174-I177 PolarHBondContact O-N 2.92Å; I177-A180 PolarHBondContact O-N 3.05Å; I177-G181 PolarHBondContact O-N 2.82Å; I177-G182 WeakPolarHBondContact O-CA 3.41Å; I177-G182 PolarHBondContact O-N 2.9Å; I177-V184 HydrophobicContact CB-CG2 4.45Å; I177-V184 HydrophobicContact CD1-CG2 3.93Å; I177-V184 HydrophobicContact CG2-CG2 4.1Å; I177-V189 HydrophobicContact CD1-CG2 3.69Å; I177-V189 HydrophobicContact CG1-CG1 4.49Å; I177-V189 HydrophobicContact CG1-CG2 4.28Å; I177-V189 HydrophobicContact CG2-CG1 4.16Å; I177-L216 WeakPolarHBondContact CG1-O 3.31Å; I177-L216 HydrophobicContact CG2-CD2 4.12Å; I177-L216 WeakPolarHBondContact O-CD2 3.5Å
178	Q	98.2	Very high	98.1	Very high	92 Å²	92	67.1 Å²	67.1	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-41.6	178.1	-72.6	175.1	-27.3	0	0	112.5	K174 Q175 R176 A180 G181	K174-Q178 WeakPolarHBondContact O-CB 3.19Å; K174-Q178 VanDerWaalsContact O-CG 3.29Å; K174-Q178 WeakPolarHBondContact O-CG 3.42Å; K174-Q178 PolarHBondContact O-N 2.87Å; Q175-Q178 PolarHBondContact O-N 3.18Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.81Å; Q178-A180 PolarHBondContact O-N 3.18Å; Q178-G181 PolarHBondContact O-N 3.14Å
179	N	98	Very high	98.1	Very high	112 Å²	112	67.1 Å²	67.1	60%	0.599	37%	0.369	S	S	*	.	H	α-helix	trans	-62.3	-32.7	175.4	-69.1	-7.2	0	0	0	111.7	Q175 R176 G181	Q175-N179 PolarHBondContact NE2-OD1 2.88Å; Q175-N179 WeakPolarHBondContact O-CB 3.42Å; Q175-N179 PolarHBondContact O-N 2.8Å; Q175-N179 PolarHBondContact O-OD1 3.25Å; R176-N179 PolarHBondContact O-N 3.31Å; R176-N179 VanDerWaalsContact O-N 3.17Å; N179-G181 PolarHBondContact O-N 3.12Å
180	A	98.2	Very high	98	Very high	16 Å²	16	67.2 Å²	67.2	13%	0.132	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	7	173.1	0	0	0	0	0	114.6	R176 I177 Q178 G182 L210 E214 L216	R176-A180 WeakPolarHBondContact O-CB 3.42Å; R176-A180 PolarHBondContact O-N 2.68Å; I177-A180 PolarHBondContact O-N 3.05Å; Q178-A180 PolarHBondContact O-N 3.18Å; A180-G182 VanDerWaalsContact C-N 3.35Å; A180-L210 HydrophobicContact CB-CD1 3.75Å; A180-E214 WeakPolarHBondContact CB-O 3.4Å; A180-L216 HydrophobicContact CB-CD2 3.7Å; A180-L216 HydrophobicContact CB-CG 4.1Å
181	G	97.5	Very high	98	Very high	74 Å²	74	66.2 Å²	66.2	76%	0.763	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	10.3	177.3	0	0	0	0	0	114.7	I177 Q178 N179	I177-G181 PolarHBondContact O-N 2.82Å; Q178-G181 PolarHBondContact O-N 3.14Å; N179-G181 PolarHBondContact O-N 3.12Å
182	G	98	Very high	97.8	Very high	14 Å²	14	64.3 Å²	64.3	14%	0.144	36%	0.358	C	S	.	.			trans	-95.7	-174.5	176.8	0	0	0	0	0	113.9	I177 A180 N190 L216	I177-G182 WeakPolarHBondContact O-CA 3.41Å; I177-G182 PolarHBondContact O-N 2.9Å; A180-G182 VanDerWaalsContact C-N 3.35Å; G182-N190 VanDerWaalsContact CA-OD1 3.31Å; G182-N190 WeakPolarHBondContact CA-OD1 3.49Å; G182-L216 VanDerWaalsContact CA-CD2 3.46Å
183	S	98.1	Very high	97.8	Very high	46 Å²	46	58.9 Å²	58.9	32%	0.322	33%	0.329	S	S	.	.			trans	-141.6	156.6	177.6	59.7	0	0	0	0	111	I185 N190	S183-I185 WeakPolarHBondContact OG-CD1 3.28Å; S183-N190 PolarHBondContact N-OD1 2.78Å; S183-N190 PolarHBondContact O-N 2.98Å; S183-N190 PolarHBondContact O-OD1 2.78Å
184	V	98.3	Very high	97.7	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108.3	172.6	-179.5	0	0	0	0	107.7	P168 V169 K174 I177 R188	P168-V184 HydrophobicContact CB-CG1 3.89Å; P168-V184 HydrophobicContact CB-CG2 4.07Å; P168-V184 WeakPolarHBondContact O-CG2 3.39Å; V169-V184 HydrophobicContact CG1-CG1 4.08Å; K174-V184 HydrophobicContact CB-CG2 4.37Å; K174-V184 HydrophobicContact CG-CG2 3.94Å; I177-V184 HydrophobicContact CB-CG2 4.45Å; I177-V184 HydrophobicContact CD1-CG2 3.93Å; I177-V184 HydrophobicContact CG2-CG2 4.1Å; V184-R188 WeakPolarHBondContact CA-O 3.06Å
185	I	97.4	Very high	97.7	Very high	89 Å²	89	56.3 Å²	56.3	46%	0.456	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.8	-176.9	-54.3	175	0	0	0	106.4	S183 Q187 R188	S183-I185 WeakPolarHBondContact OG-CD1 3.28Å; I185-Q187 PolarHBondContact O-N 2.85Å; I185-Q187 VanDerWaalsContact O-N 3.13Å; I185-R188 PolarHBondContact N-O 3.23Å; I185-R188 WeakPolarHBondContact O-CA 3.39Å; I185-R188 PolarHBondContact O-N 3.21Å; I185-R188 VanDerWaalsContact O-O 3.07Å
186	I	95.8	Very high	97.7	Very high	131 Å²	131	51.7 Å²	51.7	67%	0.672	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	41.5	-177.4	60.2	168.9	0	0	0	113.4	R188	I186-R188 PolarHBondContact O-N 2.93Å
187	Q	96.9	Very high	97.7	Very high	143 Å²	143	51.5 Å²	51.5	67%	0.668	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	12.6	-176.9	-46.5	-174.7	-6.8	0	0	115.6	P168 V169 I185	P168-Q187 WeakPolarHBondContact CG-O 3.27Å; V169-Q187 HydrophobicContact CG1-CB 3.69Å; V169-Q187 HydrophobicContact CG1-CG 3.78Å; I185-Q187 PolarHBondContact O-N 2.85Å; I185-Q187 VanDerWaalsContact O-N 3.13Å
188	R	98.5	Very high	97.7	Very high	79 Å²	79	51.5 Å²	51.5	30%	0.298	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.1	-177.5	-68.8	174.6	172.5	-89.2	-9.5	112	V184 I185 I186 N190 G191 S192 L193 A194	V184-R188 WeakPolarHBondContact CA-O 3.06Å; I185-R188 PolarHBondContact N-O 3.23Å; I185-R188 WeakPolarHBondContact O-CA 3.39Å; I185-R188 PolarHBondContact O-N 3.21Å; I185-R188 VanDerWaalsContact O-O 3.07Å; I186-R188 PolarHBondContact O-N 2.93Å; R188-N190 PolarHBondContact O-N 3.03Å; R188-G191 PolarHBondContact O-N 3.17Å; R188-S192 WeakPolarHBondContact CD-O 3.46Å; R188-S192 PolarHBondContact NH1-O 2.83Å; R188-L193 CarbonylContact C-O 3.53Å; R188-L193 WeakPolarHBondContact CA-O 3.28Å; R188-L193 WeakPolarHBondContact CB-O 3.2Å; R188-A194 HydrophobicContact CG-CB 4.49Å
189	V	98.3	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	117.8	172.8	-174.5	0	0	0	0	109.1	P168 I177 G191 S192 L193 V195 F204 L216 I217	P168-V189 HydrophobicContact CB-CG2 3.95Å; P168-V189 HydrophobicContact CG-CG2 3.6Å; I177-V189 HydrophobicContact CD1-CG2 3.69Å; I177-V189 HydrophobicContact CG1-CG1 4.49Å; I177-V189 HydrophobicContact CG1-CG2 4.28Å; I177-V189 HydrophobicContact CG2-CG1 4.16Å; V189-G191 PolarHBondContact O-N 2.76Å; V189-G191 VanDerWaalsContact O-N 3.09Å; V189-S192 PolarHBondContact O-N 3.45Å; V189-L193 HydrophobicContact CB-CB 4.43Å; V189-L193 PolarHBondContact N-O 2.8Å; V189-L193 PolarHBondContact O-N 2.67Å; V189-V195 WeakPolarHBondContact CG2-O 3.41Å; V189-F204 HydrophobicContact CG1-CD1 4.14Å; V189-F204 HydrophobicContact CG1-CE1 4.41Å; V189-L216 HydrophobicContact CG1-CB 4Å; V189-I217 HydrophobicContact CB-CD1 4.3Å; V189-I217 HydrophobicContact CG1-CD1 4.46Å; V189-I217 HydrophobicContact CG2-CD1 3.75Å
190	N	97.7	Very high	97.7	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	28.7	-172.9	-63.6	-22.7	0	0	0	113.4	G182 S183 R188 S192	G182-N190 VanDerWaalsContact CA-OD1 3.31Å; G182-N190 WeakPolarHBondContact CA-OD1 3.49Å; S183-N190 PolarHBondContact N-OD1 2.78Å; S183-N190 PolarHBondContact O-N 2.98Å; S183-N190 PolarHBondContact O-OD1 2.78Å; R188-N190 PolarHBondContact O-N 3.03Å; N190-S192 PolarHBondContact O-N 3.23Å
191	G	96.8	Very high	97.7	Very high	28 Å²	28	41.3 Å²	41.3	29%	0.289	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	3.6	-175.3	0	0	0	0	0	115	R188 V189	R188-G191 PolarHBondContact O-N 3.17Å; V189-G191 PolarHBondContact O-N 2.76Å; V189-G191 VanDerWaalsContact O-N 3.09Å
192	S	95.8	Very high	97.8	Very high	66 Å²	66	39.2 Å²	39.2	46%	0.462	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-69.8	-173	-171.1	0	0	0	0	113.1	R188 V189 N190	R188-S192 WeakPolarHBondContact CD-O 3.46Å; R188-S192 PolarHBondContact NH1-O 2.83Å; V189-S192 PolarHBondContact O-N 3.45Å; N190-S192 PolarHBondContact O-N 3.23Å
193	L	96.6	Very high	97.7	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.11	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-88.5	135.1	-172.4	-69.4	178.5	0	0	0	112.3	R188 V189 V195 D201 F204 I217	R188-L193 CarbonylContact C-O 3.53Å; R188-L193 WeakPolarHBondContact CA-O 3.28Å; R188-L193 WeakPolarHBondContact CB-O 3.2Å; V189-L193 HydrophobicContact CB-CB 4.43Å; V189-L193 PolarHBondContact N-O 2.8Å; V189-L193 PolarHBondContact O-N 2.67Å; L193-V195 VanDerWaalsContact C-N 3.35Å; L193-D201 HydrophobicContact CD1-CB 4.21Å; L193-F204 HydrophobicContact CD1-CD1 4.16Å; L193-F204 HydrophobicContact CD1-CD2 3.39Å; L193-F204 HydrophobicContact CD1-CE1 4.08Å; L193-F204 HydrophobicContact CD1-CE2 3.3Å; L193-F204 HydrophobicContact CD1-CG 3.85Å; L193-F204 HydrophobicContact CD1-CZ 3.67Å; L193-F204 HydrophobicContact CD2-CE2 4.47Å; L193-F204 HydrophobicContact CG-CD2 4.31Å; L193-F204 HydrophobicContact CG-CE1 4.25Å; L193-F204 HydrophobicContact CG-CE2 3.72Å; L193-F204 HydrophobicContact CG-CZ 3.7Å; L193-I217 HydrophobicContact CB-CD1 4.41Å; L193-I217 HydrophobicContact CD1-CD1 3.87Å; L193-I217 HydrophobicContact CD1-CG1 3.8Å
194	A	96.7	Very high	97.7	Very high	33 Å²	33	42.2 Å²	42.2	27%	0.273	24%	0.237	S	C	.	.	S	Bend	trans	-80.4	-17.5	178.8	0	0	0	0	0	113.6	P168 R188	P168-A194 WeakPolarHBondContact CD-O 2.94Å; R188-A194 HydrophobicContact CG-CB 4.49Å
195	V	98.2	Very high	97.7	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	23%	0.228	C	C	.	.			trans	-99.3	150.8	176.9	-61	0	0	0	0	110.6	T130 D148 V189 L193 I217	T130-V195 HydrophobicContact CG2-CG1 3.98Å; D148-V195 HydrophobicContact CB-CG1 4.44Å; D148-V195 VanDerWaalsContact CG-CG1 3.45Å; D148-V195 WeakPolarHBondContact OD1-CG1 3.49Å; D148-V195 WeakPolarHBondContact OD2-CG1 3.48Å; V189-V195 WeakPolarHBondContact CG2-O 3.41Å; L193-V195 VanDerWaalsContact C-N 3.35Å; V195-I217 WeakPolarHBondContact O-CD1 3.17Å
196	S	98.6	Very high	97.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-101.5	-11.5	170.6	62.4	0	0	0	0	113.1	H166 E173 R176 I217 S218	H166-S196 VanDerWaalsContact C-OG 3.24Å; H166-S196 PolarHBondContact O-N 2.85Å; H166-S196 VanDerWaalsContact O-N 3.08Å; H166-S196 PolarHBondContact O-OG 2.84Å; H166-S196 VanDerWaalsContact O-OG 3.07Å; E173-S196 VanDerWaalsContact CG-OG 3.3Å; E173-S196 WeakPolarHBondContact CG-OG 3.26Å; E173-S196 WeakPolarHBondContact OE2-CB 3.38Å; E173-S196 PolarHBondContact OE2-OG 3.08Å; R176-S196 PolarHBondContact NH2-O 3.36Å; S196-I217 WeakPolarHBondContact O-CA 3.23Å; S196-S218 PolarHBondContact O-N 2.81Å
197	R	98.9	Very high	97.5	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.098	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-137.5	140.5	177.9	-58.8	-162.7	-167	177.6	13.3	110.6	G147 H166 E173 S218 E220	G147-R197 WeakPolarHBondContact CA-O 3.28Å; G147-R197 PolarHBondContact N-O 3.07Å; H166-R197 HydrophobicContact CB-CB 3.98Å; H166-R197 HydrophobicContact CB-CG 3.85Å; H166-R197 VanDerWaalsContact CD2-CZ 3.42Å; H166-R197 PolarHBondContact CD2-NE 3.33Å; H166-R197 VanDerWaalsContact CD2-NE 3.27Å; H166-R197 VanDerWaalsContact NE2-CZ 3.3Å; H166-R197 PolarHBondContact NE2-NH1 3.06Å; E173-R197 IonicContact OE1-CZ 2.67Å; E173-R197 IonicContact OE1-NE 2.8Å; E173-R197 PolarHBondContact OE1-NE 2.87Å; E173-R197 IonicContact OE1-NH2 2.68Å; E173-R197 PolarHBondContact OE1-NH2 3.2Å; E173-R197 VanDerWaalsContact OE2-CG 3.26Å; E173-R197 WeakPolarHBondContact OE2-CG 3.41Å; E173-R197 IonicContact OE2-NE 3.5Å; E173-R197 PolarHBondContact OE2-NE 3.29Å; R197-S218 CarbonylContact C-O 3.59Å; R197-S218 WeakPolarHBondContact CA-O 3.12Å; R197-S218 WeakPolarHBondContact CB-O 3.35Å; R197-E220 VanDerWaalsContact CD-O 3.32Å; R197-E220 WeakPolarHBondContact CD-O 3.38Å; R197-E220 PolarHBondContact NH1-O 3.25Å
198	S	98.8	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.			trans	-174.2	158.7	177.5	51.1	0	0	0	0	110	S129 D201 K205 I217 S218 P219	S129-S198 CarbonylContact O-C 3.54Å; S129-S198 VanDerWaalsContact O-CA 3.29Å; S129-S198 WeakPolarHBondContact O-CA 3.4Å; S129-S198 WeakPolarHBondContact O-CB 3.25Å; S198-D201 WeakPolarHBondContact CB-OD2 3.1Å; S198-D201 PolarHBondContact OG-OD2 2.99Å; S198-K205 PolarHBondContact O-NZ 3.39Å; S198-I217 WeakPolarHBondContact OG-CG2 3.41Å; S198-S218 PolarHBondContact N-O 2.85Å; S198-P219 WeakPolarHBondContact O-CA 3.11Å
199	L	98.9	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	153.8	160.6	-62.7	99.7	0	0	0	109.4	V67 F107 L110 D111 G128 S129 A131	V67-L199 HydrophobicContact CG1-CB 3.98Å; F107-L199 HydrophobicContact CD1-CD1 4.08Å; F107-L199 HydrophobicContact CE1-CD1 4.22Å; L110-L199 HydrophobicContact CB-CD2 4.16Å; L110-L199 HydrophobicContact CD2-CD2 3.7Å; L110-L199 HydrophobicContact CG-CD2 3.94Å; D111-L199 HydrophobicContact CB-CD2 4.29Å; D111-L199 WeakPolarHBondContact OD1-CA 3.26Å; G128-L199 CarbonylContact C-O 3.53Å; G128-L199 WeakPolarHBondContact CA-O 3.32Å; S129-L199 PolarHBondContact N-O 3.36Å; S129-L199 PolarHBondContact O-N 2.68Å; A131-L199 HydrophobicContact CB-CD1 3.68Å
200	G	98.7	Very high	97.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-139	-175.1	0	0	0	0	0	112.4	D111 Y202 K205	D111-G200 PolarHBondContact OD1-N 3.13Å; G200-Y202 PolarHBondContact O-N 3.17Å; G200-Y202 VanDerWaalsContact O-N 3.16Å; G200-K205 WeakPolarHBondContact O-CD 3.39Å; G200-K205 WeakPolarHBondContact O-CE 3.41Å; G200-K205 PolarHBondContact O-NZ 3Å
201	D	98.3	Very high	97.2	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	26%	0.261	C	S	.	.			trans	52.4	37.1	177.7	-71.2	-56.4	0	0	0	114.3	H62 S127 L193 S198 A203 F204 I217	H62-D201 IonicContact CD2-OD1 3.45Å; H62-D201 IonicContact CE1-OD1 2.72Å; H62-D201 IonicContact CE1-OD2 3.33Å; H62-D201 PolarHBondContact CE1-OD2 3.01Å; H62-D201 IonicContact NE2-OD1 3.52Å; H62-D201 PolarHBondContact NE2-OD1 2.83Å; H62-D201 IonicContact NE2-OD2 3.4Å; H62-D201 PolarHBondContact NE2-OD2 2.96Å; S127-D201 PolarHBondContact O-N 2.79Å; L193-D201 HydrophobicContact CD1-CB 4.21Å; S198-D201 WeakPolarHBondContact CB-OD2 3.1Å; S198-D201 PolarHBondContact OG-OD2 2.99Å; D201-A203 PolarHBondContact O-N 2.86Å; D201-F204 HydrophobicContact CB-CD2 4.22Å; D201-F204 WeakPolarHBondContact O-CB 3.46Å; D201-F204 PolarHBondContact O-N 2.78Å; D201-I217 HydrophobicContact CB-CG2 4.18Å
202	Y	98.2	Very high	97.2	Very high	29 Å²	29	44.6 Å²	44.6	11%	0.114	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-62.5	-20.5	-167.7	-61.5	-60.7	0	0	0	115.4	D111 L114 R115 L120 G200 F204 K205	D111-Y202 PolarHBondContact O-OH 3.49Å; L114-Y202 VanDerWaalsContact C-OH 3.3Å; L114-Y202 WeakPolarHBondContact CB-OH 3.31Å; R115-Y202 VanDerWaalsContact CA-CZ 3.4Å; R115-Y202 HydrophobicContact CB-CD1 4.07Å; R115-Y202 HydrophobicContact CB-CE1 3.61Å; R115-Y202 HydrophobicContact CB-CE2 4.14Å; R115-Y202 HydrophobicContact CG-CD1 3.97Å; R115-Y202 HydrophobicContact CG-CE1 4.04Å; R115-Y202 HydrophobicContact CG-CG 4.24Å; R115-Y202 PolarHBondContact N-OH 3.15Å; L120-Y202 HydrophobicContact CB-CD2 4.11Å; L120-Y202 HydrophobicContact CB-CE2 3.96Å; L120-Y202 HydrophobicContact CD1-CE2 4.07Å; L120-Y202 HydrophobicContact CD2-CD2 4.44Å; L120-Y202 HydrophobicContact CD2-CE2 4.25Å; L120-Y202 HydrophobicContact CG-CE2 4.3Å; G200-Y202 PolarHBondContact O-N 3.17Å; G200-Y202 VanDerWaalsContact O-N 3.16Å; Y202-F204 PolarHBondContact O-N 3Å; Y202-K205 HydrophobicContact CD1-CD 4.14Å; Y202-K205 HydrophobicContact CE1-CD 4.44Å; Y202-K205 CarbonylContact O-C 3.56Å; Y202-K205 PolarHBondContact O-N 3.49Å
203	A	96.4	Very high	97.3	Very high	88 Å²	88	42.9 Å²	42.9	73%	0.727	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.1	-24.6	170.5	0	0	0	0	0	112.8	D201	D201-A203 PolarHBondContact O-N 2.86Å
204	F	98	Very high	97.4	Very high	35 Å²	35	46.7 Å²	46.7	15%	0.154	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-97.8	2.1	177.4	-61.8	-92.6	0	0	0	113.2	V189 L193 D201 Y202 L216 I217	V189-F204 HydrophobicContact CG1-CD1 4.14Å; V189-F204 HydrophobicContact CG1-CE1 4.41Å; L193-F204 HydrophobicContact CD1-CD1 4.16Å; L193-F204 HydrophobicContact CD1-CD2 3.39Å; L193-F204 HydrophobicContact CD1-CE1 4.08Å; L193-F204 HydrophobicContact CD1-CE2 3.3Å; L193-F204 HydrophobicContact CD1-CG 3.85Å; L193-F204 HydrophobicContact CD1-CZ 3.67Å; L193-F204 HydrophobicContact CD2-CE2 4.47Å; L193-F204 HydrophobicContact CG-CD2 4.31Å; L193-F204 HydrophobicContact CG-CE1 4.25Å; L193-F204 HydrophobicContact CG-CE2 3.72Å; L193-F204 HydrophobicContact CG-CZ 3.7Å; D201-F204 HydrophobicContact CB-CD2 4.22Å; D201-F204 WeakPolarHBondContact O-CB 3.46Å; D201-F204 PolarHBondContact O-N 2.78Å; Y202-F204 PolarHBondContact O-N 3Å; F204-L216 HydrophobicContact CB-CB 4.18Å; F204-L216 HydrophobicContact CD1-CD1 4.17Å; F204-L216 WeakPolarHBondContact O-CB 3.29Å; F204-L216 PolarHBondContact O-N 2.95Å; F204-I217 HydrophobicContact CB-CB 3.94Å; F204-I217 HydrophobicContact CB-CG1 3.46Å; F204-I217 VanDerWaalsContact CB-CG1 3.46Å; F204-I217 HydrophobicContact CD1-CG1 4.28Å; F204-I217 HydrophobicContact CG-CG1 3.87Å
205	K	97.6	Very high	97.5	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	26%	0.263	C	S	.	.	S	Bend	trans	-124.5	44.1	-176.3	-58.1	178.7	179.2	168	0	112.3	D111 R115 S198 G200 Y202 Q215 I217	D111-K205 IonicContact OD1-NZ 3.16Å; D111-K205 PolarHBondContact OD1-NZ 3.13Å; D111-K205 IonicContact OD2-NZ 3.5Å; D111-K205 PolarHBondContact OD2-NZ 2.57Å; R115-K205 PolarHBondContact NH1-O 3.05Å; R115-K205 VanDerWaalsContact NH2-CB 3.26Å; R115-K205 PolarHBondContact NH2-O 2.95Å; S198-K205 PolarHBondContact O-NZ 3.39Å; G200-K205 WeakPolarHBondContact O-CD 3.39Å; G200-K205 WeakPolarHBondContact O-CE 3.41Å; G200-K205 PolarHBondContact O-NZ 3Å; Y202-K205 HydrophobicContact CD1-CD 4.14Å; Y202-K205 HydrophobicContact CE1-CD 4.44Å; Y202-K205 CarbonylContact O-C 3.56Å; Y202-K205 PolarHBondContact O-N 3.49Å; K205-Q215 VanDerWaalsContact CA-OE1 3.32Å; K205-Q215 HydrophobicContact CB-CB 4.24Å; K205-Q215 HydrophobicContact CB-CG 4Å; K205-Q215 HydrophobicContact CG-CB 4.09Å; K205-Q215 HydrophobicContact CG-CG 4.28Å; K205-I217 WeakPolarHBondContact CE-O 3.27Å; K205-I217 WeakPolarHBondContact CG-O 3.36Å
206	A	94.7	Very high	97.5	Very high	74 Å²	74	46.2 Å²	46.2	61%	0.612	27%	0.266	S	S	*	.			trans	-121	10.3	-173.1	0	0	0	0	0	114.1	K208	A206-K208 PolarHBondContact O-N 2.91Å
207	A	96	Very high	97.5	Very high	34 Å²	34	46.2 Å²	46.2	28%	0.281	27%	0.266	S	S	.	.			trans	-70	117.9	174.1	0	0	0	0	0	109.6	D209 L210 Q215	A207-D209 PolarHBondContact O-N 2.79Å; A207-L210 HydrophobicContact CB-CB 4.17Å; A207-L210 HydrophobicContact CB-CD1 3.77Å; A207-L210 HydrophobicContact CB-CG 4.12Å; A207-Q215 PolarHBondContact O-NE2 2.81Å
208	K	92.6	Very high	97.5	Very high	199 Å²	199	45 Å²	45	87%	0.865	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.1	-168.9	-68.3	-177.7	178.3	179.3	0	114.5	A206	A206-K208 PolarHBondContact O-N 2.91Å
209	D	95.1	Very high	97.5	Very high	159 Å²	159	45 Å²	45	85%	0.85	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	-172.5	-56.2	-49.5	0	0	0	112.9	A207	A207-D209 PolarHBondContact O-N 2.79Å
210	L	97.8	Very high	97.5	Very high	56 Å²	56	47.3 Å²	47.3	29%	0.293	27%	0.273	S	S	.	.	S	Bend	trans	-120	144.2	-174.1	-63.3	-177.8	0	0	0	111.2	A180 A207 E214 Q215	A180-L210 HydrophobicContact CB-CD1 3.75Å; A207-L210 HydrophobicContact CB-CB 4.17Å; A207-L210 HydrophobicContact CB-CD1 3.77Å; A207-L210 HydrophobicContact CB-CG 4.12Å; L210-E214 HydrophobicContact CB-CB 3.97Å; L210-E214 WeakPolarHBondContact CD1-O 3.41Å; L210-E214 HydrophobicContact CD2-CB 4.35Å; L210-Q215 PolarHBondContact O-NE2 2.86Å
211	G	97.9	Very high	97.5	Very high	25 Å²	25	47.7 Å²	47.7	26%	0.258	28%	0.275	S	S	.	.			trans	-65.2	170.5	172	0	0	0	0	0	112.7	T213 E214 Q215	G211-T213 PolarHBondContact O-N 2.86Å; G211-E214 PolarHBondContact N-OE2 2.83Å; G211-E214 PolarHBondContact O-N 2.84Å; G211-Q215 WeakPolarHBondContact O-CG 3.19Å; G211-Q215 PolarHBondContact O-NE2 2.84Å
212	P	97.5	Very high	97.5	Very high	73 Å²	73	51.5 Å²	51.5	47%	0.474	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.6	-30.7	-178.9	23.3	-33.3	0	0	0	113.1	Q215 P219	P212-Q215 WeakPolarHBondContact O-CG 3.38Å; P212-P219 WeakPolarHBondContact O-CD 3.28Å
213	T	98.3	Very high	97.5	Very high	29 Å²	29	51.5 Å²	51.5	18%	0.178	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-90.6	-6.3	-177.2	68	0	0	0	0	113.8	L108 R176 G211 S218 E220	L108-T213 HydrophobicContact CD1-CG2 4.19Å; L108-T213 HydrophobicContact CD2-CG2 3.83Å; R176-T213 WeakPolarHBondContact CD-O 3.28Å; G211-T213 PolarHBondContact O-N 2.86Å; T213-S218 WeakPolarHBondContact CA-OG 3.49Å; T213-S218 PolarHBondContact O-OG 2.84Å; T213-E220 WeakPolarHBondContact CB-OE2 3.19Å; T213-E220 HydrophobicContact CG2-CB 3.72Å; T213-E220 HydrophobicContact CG2-CG 4.1Å
214	E	98.4	Very high	97.7	Very high	102 Å²	102	49.5 Å²	49.5	48%	0.477	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-101.3	2.7	-177.7	-64.1	177	124.4	0	0	112.4	A180 L210 G211	A180-E214 WeakPolarHBondContact CB-O 3.4Å; L210-E214 HydrophobicContact CB-CB 3.97Å; L210-E214 WeakPolarHBondContact CD1-O 3.41Å; L210-E214 HydrophobicContact CD2-CB 4.35Å; G211-E214 PolarHBondContact N-OE2 2.83Å; G211-E214 PolarHBondContact O-N 2.84Å
215	Q	98.6	Very high	97.7	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.037	28%	0.277	C	S	.	.	S	Bend	trans	-71.2	172.3	-179.7	-58.6	-64.6	-41.4	0	0	112.2	R176 K205 A207 L210 G211 P212 I217	R176-Q215 VanDerWaalsContact CD-O 3.28Å; R176-Q215 WeakPolarHBondContact CD-O 3.29Å; R176-Q215 PolarHBondContact NE-O 3.16Å; R176-Q215 VanDerWaalsContact NE-O 3.12Å; K205-Q215 VanDerWaalsContact CA-OE1 3.32Å; K205-Q215 HydrophobicContact CB-CB 4.24Å; K205-Q215 HydrophobicContact CB-CG 4Å; K205-Q215 HydrophobicContact CG-CB 4.09Å; K205-Q215 HydrophobicContact CG-CG 4.28Å; A207-Q215 PolarHBondContact O-NE2 2.81Å; L210-Q215 PolarHBondContact O-NE2 2.86Å; G211-Q215 WeakPolarHBondContact O-CG 3.19Å; G211-Q215 PolarHBondContact O-NE2 2.84Å; P212-Q215 WeakPolarHBondContact O-CG 3.38Å; Q215-I217 PolarHBondContact O-N 3.17Å
216	L	98.5	Very high	97.7	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	28%	0.283	C	S	.	.	S	Bend	trans	-56.3	-41.4	174.3	-61.4	173.2	0	0	0	111.2	I177 A180 G182 V189 F204	I177-L216 WeakPolarHBondContact CG1-O 3.31Å; I177-L216 HydrophobicContact CG2-CD2 4.12Å; I177-L216 WeakPolarHBondContact O-CD2 3.5Å; A180-L216 HydrophobicContact CB-CD2 3.7Å; A180-L216 HydrophobicContact CB-CG 4.1Å; G182-L216 VanDerWaalsContact CA-CD2 3.46Å; V189-L216 HydrophobicContact CG1-CB 4Å; F204-L216 HydrophobicContact CB-CB 4.18Å; F204-L216 HydrophobicContact CD1-CD1 4.17Å; F204-L216 WeakPolarHBondContact O-CB 3.29Å; F204-L216 PolarHBondContact O-N 2.95Å
217	I	98.7	Very high	97.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-116.4	118.3	174.4	-62.6	-63.2	0	0	0	108.3	V189 L193 V195 S196 S198 D201 F204 K205 Q215	V189-I217 HydrophobicContact CB-CD1 4.3Å; V189-I217 HydrophobicContact CG1-CD1 4.46Å; V189-I217 HydrophobicContact CG2-CD1 3.75Å; L193-I217 HydrophobicContact CB-CD1 4.41Å; L193-I217 HydrophobicContact CD1-CD1 3.87Å; L193-I217 HydrophobicContact CD1-CG1 3.8Å; V195-I217 WeakPolarHBondContact O-CD1 3.17Å; S196-I217 WeakPolarHBondContact O-CA 3.23Å; S198-I217 WeakPolarHBondContact OG-CG2 3.41Å; D201-I217 HydrophobicContact CB-CG2 4.18Å; F204-I217 HydrophobicContact CB-CB 3.94Å; F204-I217 HydrophobicContact CB-CG1 3.46Å; F204-I217 VanDerWaalsContact CB-CG1 3.46Å; F204-I217 HydrophobicContact CD1-CG1 4.28Å; F204-I217 HydrophobicContact CG-CG1 3.87Å; K205-I217 WeakPolarHBondContact CE-O 3.27Å; K205-I217 WeakPolarHBondContact CG-O 3.36Å; Q215-I217 PolarHBondContact O-N 3.17Å
218	S	98.8	Very high	98	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-93.9	134.4	-179.7	180	0	0	0	0	111	S196 R197 S198 T213 E220	S196-S218 PolarHBondContact O-N 2.81Å; R197-S218 CarbonylContact C-O 3.59Å; R197-S218 WeakPolarHBondContact CA-O 3.12Å; R197-S218 WeakPolarHBondContact CB-O 3.35Å; S198-S218 PolarHBondContact N-O 2.85Å; T213-S218 WeakPolarHBondContact CA-OG 3.49Å; T213-S218 PolarHBondContact O-OG 2.84Å; S218-E220 VanDerWaalsContact OG-CB 3.27Å; S218-E220 WeakPolarHBondContact OG-CB 3.47Å; S218-E220 PolarHBondContact OG-N 2.98Å; S218-E220 VanDerWaalsContact OG-N 3.13Å
219	P	98.8	Very high	98.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.			trans	-82.8	1.8	169.1	34.5	-33.5	0	0	0	113.1	L108 D111 S198 P212 P221	L108-P219 HydrophobicContact CD2-CB 4.41Å; L108-P219 HydrophobicContact CD2-CG 3.76Å; D111-P219 HydrophobicContact CB-CB 3.7Å; D111-P219 HydrophobicContact CB-CG 4.18Å; D111-P219 VanDerWaalsContact CG-CB 3.5Å; D111-P219 WeakPolarHBondContact OD2-CB 3.3Å; D111-P219 WeakPolarHBondContact OD2-CG 3.2Å; S198-P219 WeakPolarHBondContact O-CA 3.11Å; P212-P219 WeakPolarHBondContact O-CD 3.28Å; P219-P221 WeakPolarHBondContact O-CD 3.05Å
220	E	98.8	Very high	98.3	Very high	48 Å²	48	45.9 Å²	45.9	22%	0.224	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-76.5	121	-175.9	-170.6	171.3	-137.8	0	0	111.5	R104 R197 T213 S218	R104-E220 HydrophobicContact CG-CG 4.4Å; R104-E220 IonicContact CZ-OE1 2.79Å; R104-E220 IonicContact NE-OE1 2.73Å; R104-E220 PolarHBondContact NE-OE1 2.99Å; R104-E220 IonicContact NH2-OE1 3.53Å; R104-E220 PolarHBondContact NH2-OE1 2.88Å; R197-E220 VanDerWaalsContact CD-O 3.32Å; R197-E220 WeakPolarHBondContact CD-O 3.38Å; R197-E220 PolarHBondContact NH1-O 3.25Å; T213-E220 WeakPolarHBondContact CB-OE2 3.19Å; T213-E220 HydrophobicContact CG2-CB 3.72Å; T213-E220 HydrophobicContact CG2-CG 4.1Å; S218-E220 VanDerWaalsContact OG-CB 3.27Å; S218-E220 WeakPolarHBondContact OG-CB 3.47Å; S218-E220 PolarHBondContact OG-N 2.98Å; S218-E220 VanDerWaalsContact OG-N 3.13Å
221	P	98.8	Very high	98.3	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.052	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-73.3	146.1	174.5	32	-35.2	0	0	0	110.6	F107 A144 N145 C146 P219 I223	F107-P221 HydrophobicContact CB-CG 4Å; F107-P221 HydrophobicContact CD1-CB 3.94Å; F107-P221 HydrophobicContact CD1-CG 3.87Å; F107-P221 HydrophobicContact CD2-CB 4.33Å; F107-P221 HydrophobicContact CD2-CG 3.78Å; F107-P221 HydrophobicContact CE1-CB 3.86Å; F107-P221 HydrophobicContact CE1-CG 4.23Å; F107-P221 HydrophobicContact CE2-CB 4.26Å; F107-P221 HydrophobicContact CE2-CG 4.15Å; F107-P221 HydrophobicContact CG-CB 4.18Å; F107-P221 HydrophobicContact CG-CG 3.63Å; F107-P221 HydrophobicContact CZ-CB 4.02Å; F107-P221 HydrophobicContact CZ-CG 4.36Å; A144-P221 HydrophobicContact CB-CB 4.17Å; N145-P221 CarbonylContact O-C 3.48Å; N145-P221 VanDerWaalsContact O-CA 3.24Å; N145-P221 WeakPolarHBondContact O-CA 3.49Å; C146-P221 HydrophobicContact CB-CB 4.4Å; P219-P221 WeakPolarHBondContact O-CD 3.05Å; P221-I223 HydrophobicContact CB-CG1 4.33Å; P221-I223 HydrophobicContact CG-CD1 4.22Å; P221-I223 HydrophobicContact CG-CG1 4.18Å
222	E	98.6	Very high	98.3	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.3	159.2	-173.4	166.6	136.1	0	0	108.7	A144 N145 H166	A144-E222 WeakPolarHBondContact CA-O 3.29Å; N145-E222 PolarHBondContact N-O 2.83Å; N145-E222 PolarHBondContact O-N 2.84Å; H166-E222 IonicContact NE2-OE2 3.66Å
223	I	98.8	Very high	98.3	Very high	30 Å²	30	48 Å²	48	15%	0.154	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.8	-176	-56.1	164.3	0	0	0	109	E100 I103 R104 F143 A144 P221	E100-I223 HydrophobicContact CB-CD1 4.49Å; E100-I223 HydrophobicContact CB-CG2 4.38Å; E100-I223 HydrophobicContact CG-CG2 3.88Å; E100-I223 WeakPolarHBondContact O-CD1 3.22Å; I103-I223 HydrophobicContact CB-CD1 3.84Å; I103-I223 HydrophobicContact CG2-CD1 3.73Å; I103-I223 HydrophobicContact CG2-CG1 4.17Å; R104-I223 HydrophobicContact CB-CD1 4Å; F143-I223 CarbonylContact O-C 3.57Å; F143-I223 VanDerWaalsContact O-CA 3.23Å; F143-I223 WeakPolarHBondContact O-CA 3.35Å; A144-I223 HydrophobicContact CB-CG1 4Å; P221-I223 HydrophobicContact CB-CG1 4.33Å; P221-I223 HydrophobicContact CG-CD1 4.22Å; P221-I223 HydrophobicContact CG-CG1 4.18Å
224	T	98.7	Very high	98.4	Very high	46 Å²	46	47.7 Å²	47.7	28%	0.282	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.3	172.3	-59.9	0	0	0	0	109.8	F143 F161 V226	F143-T224 PolarHBondContact N-O 2.8Å; F143-T224 PolarHBondContact O-N 2.88Å; F161-T224 HydrophobicContact CD2-CG2 4.42Å; F161-T224 HydrophobicContact CE2-CG2 3.57Å; F161-T224 HydrophobicContact CZ-CG2 3.75Å; T224-V226 HydrophobicContact CG2-CG2 4.41Å
225	V	98.5	Very high	98.4	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.23	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.2	176.9	-166.9	0	0	0	0	109.7	L96 E100 H140 F142	L96-V225 HydrophobicContact CD1-CG1 4.33Å; L96-V225 HydrophobicContact CD2-CG1 4.24Å; E100-V225 HydrophobicContact CG-CG2 3.74Å; H140-V225 HydrophobicContact CB-CG1 3.97Å; F142-V225 HydrophobicContact CD1-CB 4.36Å; F142-V225 HydrophobicContact CD1-CG1 4.13Å; F142-V225 HydrophobicContact CD1-CG2 3.5Å; F142-V225 HydrophobicContact CE1-CB 4.36Å; F142-V225 HydrophobicContact CE1-CG1 3.87Å; F142-V225 HydrophobicContact CE1-CG2 3.54Å; F142-V225 HydrophobicContact CG-CG2 4.47Å; F142-V225 HydrophobicContact CZ-CG1 4.11Å
226	V	98.3	Very high	98.4	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.9	175.4	178.9	0	0	0	0	109.2	H140 I141 F143 L153 F161 T224 R228	H140-V226 CarbonylContact C-O 3.47Å; H140-V226 WeakPolarHBondContact CA-O 3.26Å; I141-V226 PolarHBondContact N-O 3.36Å; I141-V226 PolarHBondContact O-N 2.76Å; F143-V226 HydrophobicContact CD2-CG2 4.13Å; F143-V226 HydrophobicContact CE2-CB 4.22Å; F143-V226 HydrophobicContact CE2-CG2 3.94Å; L153-V226 HydrophobicContact CD2-CG1 3.95Å; F161-V226 HydrophobicContact CD1-CG2 4.48Å; F161-V226 HydrophobicContact CD2-CG2 4.33Å; F161-V226 HydrophobicContact CG-CG2 4.17Å; T224-V226 HydrophobicContact CG2-CG2 4.41Å; V226-R228 PolarHBondContact O-N 3.17Å
227	D	98	Very high	98.4	Very high	109 Å²	109	41.4 Å²	41.4	58%	0.583	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.7	171.2	-68.5	-36.3	0	0	0	110.3	H140 R155	H140-D227 IonicContact CD2-OD1 3.36Å; H140-D227 PolarHBondContact CD2-OD1 3.36Å; H140-D227 IonicContact NE2-OD1 3.94Å; H140-D227 PolarHBondContact NE2-OD1 2.94Å; R155-D227 PolarHBondContact NH2-O 3.03Å
228	R	97.6	Very high	98.4	Very high	60 Å²	60	41.4 Å²	41.4	23%	0.226	21%	0.209	C	C	.	.			trans	-71.4	139.6	174.1	-72.9	-174.3	66.1	-171.7	-4.1	110.6	T137 K139 I141 V226 D233 F293	T137-R228 WeakPolarHBondContact O-CD 3.41Å; T137-R228 PolarHBondContact O-NH1 3.37Å; K139-R228 WeakPolarHBondContact O-CB 3.18Å; K139-R228 PolarHBondContact O-N 3.07Å; I141-R228 HydrophobicContact CD1-CG 3.87Å; I141-R228 HydrophobicContact CG1-CG 3.66Å; V226-R228 PolarHBondContact O-N 3.17Å; R228-D233 VanDerWaalsContact CA-OD2 3.27Å; R228-D233 WeakPolarHBondContact CA-OD2 3.3Å; R228-F293 VanDerWaalsContact NH2-CD1 3.34Å
229	D	98	Very high	98.4	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	21%	0.208	S	C	.	.			trans	-119.4	103.9	167.9	-168.7	-43.2	0	0	0	108.1	D231 L232 D233	D229-D231 PolarHBondContact O-N 2.82Å; D229-D231 VanDerWaalsContact O-N 3.17Å; D229-D231 PolarHBondContact OD1-N 3.1Å; D229-D231 VanDerWaalsContact OD1-N 3.07Å; D229-L232 HydrophobicContact CB-CB 4.06Å; D229-L232 HydrophobicContact CB-CG 4.49Å; D229-L232 PolarHBondContact O-N 3.19Å; D229-L232 WeakPolarHBondContact OD1-CG 3.37Å; D229-L232 PolarHBondContact OD1-N 3.42Å; D229-L232 VanDerWaalsContact OD2-CD1 3.3Å; D229-L232 WeakPolarHBondContact OD2-CD1 3.21Å; D229-D233 PolarHBondContact N-OD2 3.45Å; D229-D233 VanDerWaalsContact O-CB 3.26Å; D229-D233 WeakPolarHBondContact O-CB 3.45Å; D229-D233 VanDerWaalsContact O-CG 3.27Å; D229-D233 PolarHBondContact O-N 3.04Å
230	K	96.4	Very high	98.4	Very high	145 Å²	145	41.4 Å²	41.4	63%	0.63	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.7	-174.6	-174	177.7	177.7	-176.1	0	112.8	P295	K230-P295 WeakPolarHBondContact O-CG 3.12Å
231	D	97.7	Very high	98.4	Very high	133 Å²	133	40.1 Å²	40.1	71%	0.711	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-15.8	-176	-60.7	-40.5	0	0	0	112	D229	D229-D231 PolarHBondContact O-N 2.82Å; D229-D231 VanDerWaalsContact O-N 3.17Å; D229-D231 PolarHBondContact OD1-N 3.1Å; D229-D231 VanDerWaalsContact OD1-N 3.07Å
232	L	98.3	Very high	98.4	Very high	64 Å²	64	39.8 Å²	39.8	34%	0.335	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-27.9	-173.5	-56	-175.9	0	0	0	115.1	R155 K156 D229 E234	R155-L232 WeakPolarHBondContact CA-O 3.4Å; R155-L232 HydrophobicContact CG-CB 3.55Å; R155-L232 VanDerWaalsContact CG-O 3.28Å; R155-L232 WeakPolarHBondContact CG-O 3.5Å; K156-L232 HydrophobicContact CD-CD2 4.49Å; K156-L232 PolarHBondContact N-O 3Å; K156-L232 VanDerWaalsContact N-O 3.07Å; D229-L232 HydrophobicContact CB-CB 4.06Å; D229-L232 HydrophobicContact CB-CG 4.49Å; D229-L232 PolarHBondContact O-N 3.19Å; D229-L232 WeakPolarHBondContact OD1-CG 3.37Å; D229-L232 PolarHBondContact OD1-N 3.42Å; D229-L232 VanDerWaalsContact OD2-CD1 3.3Å; D229-L232 WeakPolarHBondContact OD2-CD1 3.21Å; L232-E234 PolarHBondContact O-N 2.85Å
233	D	98.6	Very high	98.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	122.1	179.4	-73	-24.9	0	0	0	109.9	R155 R228 D229 F293 P295	R155-D233 IonicContact CZ-OD1 2.69Å; R155-D233 IonicContact NE-OD1 2.81Å; R155-D233 PolarHBondContact NE-OD1 3.48Å; R155-D233 IonicContact NH2-OD1 3.15Å; R155-D233 PolarHBondContact NH2-OD1 2.89Å; R155-D233 IonicContact NH2-OD2 2.62Å; R228-D233 VanDerWaalsContact CA-OD2 3.27Å; R228-D233 WeakPolarHBondContact CA-OD2 3.3Å; D229-D233 PolarHBondContact N-OD2 3.45Å; D229-D233 VanDerWaalsContact O-CB 3.26Å; D229-D233 WeakPolarHBondContact O-CB 3.45Å; D229-D233 VanDerWaalsContact O-CG 3.27Å; D229-D233 PolarHBondContact O-N 3.04Å; D233-F293 HydrophobicContact CB-CD2 4.11Å; D233-F293 HydrophobicContact CB-CE2 4.44Å; D233-F293 HydrophobicContact CB-CG 4.19Å; D233-F293 VanDerWaalsContact O-CB 3.22Å; D233-F293 WeakPolarHBondContact O-CB 3.48Å; D233-P295 WeakPolarHBondContact O-CD 3.46Å; D233-P295 VanDerWaalsContact O-CG 3.28Å; D233-P295 WeakPolarHBondContact O-CG 3.33Å
234	E	98.6	Very high	98.4	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-56.9	-175.6	-70.8	171	175.6	0	0	110.6	I154 K156 G157 L232 Q257 F293 P295 A296	I154-E234 PolarHBondContact O-N 2.9Å; K156-E234 WeakPolarHBondContact CA-OE1 3.43Å; K156-E234 PolarHBondContact N-OE1 2.68Å; G157-E234 WeakPolarHBondContact CA-OE2 3.14Å; G157-E234 VanDerWaalsContact N-CD 3.32Å; G157-E234 PolarHBondContact N-OE1 2.72Å; G157-E234 PolarHBondContact N-OE2 2.83Å; L232-E234 PolarHBondContact O-N 2.85Å; E234-Q257 PolarHBondContact OE2-NE2 2.85Å; E234-F293 PolarHBondContact O-N 3.38Å; E234-P295 HydrophobicContact CG-CB 4.13Å; E234-A296 HydrophobicContact CB-CB 4.45Å; E234-A296 WeakPolarHBondContact O-CB 3.38Å
235	I	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138.5	-166.6	-58.3	157.2	0	0	0	110.3	I154 V237 L256 M260 L290 V291 A296	I154-I235 HydrophobicContact CB-CB 4.11Å; I154-I235 HydrophobicContact CD1-CB 4.13Å; I154-I235 HydrophobicContact CD1-CD1 4.21Å; I154-I235 HydrophobicContact CD1-CG2 4.23Å; I154-I235 PolarHBondContact N-O 3.18Å; I154-I235 PolarHBondContact O-N 3.18Å; I154-I235 VanDerWaalsContact O-N 3.17Å; I235-V237 HydrophobicContact CG2-CG2 3.9Å; I235-L256 HydrophobicContact CD1-CB 4.11Å; I235-L256 HydrophobicContact CG2-CD1 4.25Å; I235-M260 HydrophobicContact CD1-SD 3.44Å; I235-M260 WeakPolarHBondContact CD1-SD 3.18Å; I235-M260 HydrophobicContact CG1-CE 4.38Å; I235-M260 HydrophobicContact CG1-SD 3.84Å; I235-L290 HydrophobicContact CG2-CD1 3.26Å; I235-V291 CarbonylContact C-O 3.55Å; I235-V291 VanDerWaalsContact CA-O 3.29Å; I235-V291 WeakPolarHBondContact CA-O 3.15Å; I235-A296 HydrophobicContact CG1-CB 4.16Å
236	I	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.8	157.1	-72.4	160.3	0	0	0	108.7	V134 I136 I141 F143 I152 L153 L238 V291 F293	V134-I236 HydrophobicContact CG1-CG2 4.13Å; V134-I236 HydrophobicContact CG2-CG2 4.27Å; I136-I236 HydrophobicContact CD1-CD1 3.83Å; I136-I236 HydrophobicContact CG1-CD1 4.31Å; I141-I236 HydrophobicContact CD1-CD1 4.02Å; I141-I236 HydrophobicContact CG1-CD1 4.27Å; I141-I236 HydrophobicContact CG2-CD1 3.84Å; F143-I236 HydrophobicContact CE1-CD1 4.49Å; F143-I236 HydrophobicContact CE1-CG1 4.34Å; F143-I236 HydrophobicContact CE1-CG2 4.29Å; F143-I236 HydrophobicContact CZ-CD1 4.17Å; F143-I236 HydrophobicContact CZ-CG1 4.15Å; I152-I236 VanDerWaalsContact O-CA 3.3Å; I152-I236 WeakPolarHBondContact O-CA 3.3Å; L153-I236 HydrophobicContact CD1-CD1 4.44Å; L153-I236 HydrophobicContact CD1-CG1 3.76Å; I236-L238 HydrophobicContact CG2-CD1 3.64Å; I236-L238 HydrophobicContact CG2-CG 4.34Å; I236-V291 HydrophobicContact CB-CB 4.26Å; I236-V291 PolarHBondContact N-O 3.2Å; I236-V291 PolarHBondContact O-N 3.43Å; I236-F293 HydrophobicContact CD1-CE2 3.66Å; I236-F293 HydrophobicContact CD1-CZ 3.64Å; I236-F293 HydrophobicContact CG1-CE2 3.85Å; I236-F293 HydrophobicContact CG1-CZ 4.36Å
237	V	98.9	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.7	169.2	173.5	0	0	0	0	108.3	A151 I152 I235 W244 I252 L256 M288 V289 L290	A151-V237 CarbonylContact C-O 3.59Å; A151-V237 WeakPolarHBondContact CA-O 3.46Å; I152-V237 HydrophobicContact CD1-CB 4.41Å; I152-V237 HydrophobicContact CG1-CB 3.82Å; I152-V237 HydrophobicContact CG1-CG2 4.37Å; I152-V237 PolarHBondContact N-O 3.18Å; I152-V237 PolarHBondContact O-N 3.09Å; I235-V237 HydrophobicContact CG2-CG2 3.9Å; V237-W244 HydrophobicContact CG1-CH2 4.15Å; V237-W244 HydrophobicContact CG1-CZ2 3.97Å; V237-I252 HydrophobicContact CG1-CG2 4.48Å; V237-I252 HydrophobicContact CG2-CG2 4.25Å; V237-L256 HydrophobicContact CG2-CD1 3.3Å; V237-M288 HydrophobicContact CB-CE 4.44Å; V237-M288 HydrophobicContact CG1-CE 3.36Å; V237-M288 HydrophobicContact CG2-CE 4.24Å; V237-V289 WeakPolarHBondContact CA-O 3.41Å; V237-L290 HydrophobicContact CG2-CD1 3.77Å
238	L	98.9	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.9	165.5	-56.1	90.6	0	0	0	107.4	F56 V58 V132 V134 R150 A151 I236 M288 V289	F56-L238 HydrophobicContact CB-CD1 4.07Å; F56-L238 WeakPolarHBondContact O-CD2 2.8Å; V58-L238 HydrophobicContact CB-CB 4.49Å; V58-L238 HydrophobicContact CG2-CB 3.9Å; V132-L238 HydrophobicContact CG1-CB 4.17Å; V132-L238 HydrophobicContact CG1-CD2 4.29Å; V132-L238 WeakPolarHBondContact O-CD2 3.36Å; V134-L238 HydrophobicContact CG1-CD2 4.15Å; V134-L238 HydrophobicContact CG1-CG 4.46Å; V134-L238 HydrophobicContact CG2-CD1 3.95Å; V134-L238 HydrophobicContact CG2-CD2 4.21Å; R150-L238 WeakPolarHBondContact O-CA 3.33Å; A151-L238 HydrophobicContact CB-CD2 4.44Å; A151-L238 HydrophobicContact CB-CG 4.01Å; I236-L238 HydrophobicContact CG2-CD1 3.64Å; I236-L238 HydrophobicContact CG2-CG 4.34Å; L238-M288 CarbonylContact O-C 3.54Å; L238-M288 WeakPolarHBondContact O-CA 3.41Å; L238-V289 HydrophobicContact CB-CB 4.35Å; L238-V289 HydrophobicContact CD1-CB 4.24Å; L238-V289 HydrophobicContact CD1-CG1 4.31Å; L238-V289 PolarHBondContact N-O 3.48Å; L238-V289 PolarHBondContact O-N 3.29Å
239	A	98.9	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.4	176.3	0	0	0	0	0	112.3	S149 R150 I243 W244 S287 M288	S149-A239 WeakPolarHBondContact CA-O 3.35Å; S149-A239 WeakPolarHBondContact CB-O 3.42Å; R150-A239 PolarHBondContact N-O 3.25Å; R150-A239 PolarHBondContact O-N 2.77Å; A239-I243 HydrophobicContact CB-CB 3.94Å; A239-I243 HydrophobicContact CB-CG1 3.95Å; A239-I243 HydrophobicContact CB-CG2 4.17Å; A239-W244 HydrophobicContact CB-CZ2 4.15Å; A239-W244 VanDerWaalsContact O-CD1 3.25Å; A239-W244 PolarHBondContact O-NE1 3.27Å; A239-S287 VanDerWaalsContact CA-O 3.25Å; A239-S287 WeakPolarHBondContact CA-O 3.29Å; A239-S287 WeakPolarHBondContact CB-O 3.49Å; A239-M288 HydrophobicContact CB-CB 4.09Å
240	C	98.8	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	-75.5	172.4	173.4	65.5	0	0	0	0	112.9	V58 D60 S149 G242 I243 W244 N285 S287	V58-C240 HydrophobicContact CG1-CB 4.26Å; D60-C240 HydrophobicContact CB-CB 3.89Å; S149-C240 WeakPolarHBondContact OG-CA 3.31Å; C240-G242 VanDerWaalsContact C-N 3.26Å; C240-G242 PolarHBondContact O-N 2.65Å; C240-I243 PolarHBondContact O-N 3.08Å; C240-W244 PolarHBondContact O-N 2.82Å; C240-N285 PolarHBondContact SG-O 3.33Å; C240-S287 PolarHBondContact N-O 3.37Å; C240-S287 VanDerWaalsContact N-O 3.12Å; C240-S287 PolarHBondContact SG-N 2.64Å
241	D	98.2	Very high	97.3	Very high	21 Å²	21	33 Å²	33	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-28.4	-178	76.2	-8.5	0	0	0	112.8	I243 W244 D245	D241-I243 CarbonylContact O-C 3.47Å; D241-I243 PolarHBondContact O-N 3.12Å; D241-W244 PolarHBondContact O-N 2.82Å; D241-D245 VanDerWaalsContact O-CB 3.25Å; D241-D245 WeakPolarHBondContact O-CB 3.41Å; D241-D245 PolarHBondContact O-N 3.07Å
242	G	98.3	Very high	97	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-20.1	174.3	0	0	0	0	0	114	C240 S282	C240-G242 VanDerWaalsContact C-N 3.26Å; C240-G242 PolarHBondContact O-N 2.65Å; G242-S282 VanDerWaalsContact O-CB 3.26Å; G242-S282 WeakPolarHBondContact O-CB 3.38Å; G242-S282 PolarHBondContact O-OG 3.41Å
243	I	98.5	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-92.2	-51.8	170.1	-56.4	-59.5	0	0	0	111.2	A239 C240 D241 D245 V246 L247 I252 I274 C277 M286	A239-I243 HydrophobicContact CB-CB 3.94Å; A239-I243 HydrophobicContact CB-CG1 3.95Å; A239-I243 HydrophobicContact CB-CG2 4.17Å; C240-I243 PolarHBondContact O-N 3.08Å; D241-I243 CarbonylContact O-C 3.47Å; D241-I243 PolarHBondContact O-N 3.12Å; I243-D245 VanDerWaalsContact C-N 3.33Å; I243-D245 PolarHBondContact O-N 3.43Å; I243-V246 WeakPolarHBondContact O-CG2 3.38Å; I243-V246 PolarHBondContact O-N 2.79Å; I243-L247 PolarHBondContact O-N 3.44Å; I243-I252 HydrophobicContact CG2-CD1 3.55Å; I243-I274 HydrophobicContact CD1-CG1 3.83Å; I243-C277 HydrophobicContact CD1-CB 3.94Å; I243-C277 VanDerWaalsContact CD1-SG 3.55Å; I243-M286 HydrophobicContact CD1-CB 3.84Å; I243-M286 HydrophobicContact CD1-CG 3.75Å; I243-M286 HydrophobicContact CD1-SD 4.21Å; I243-M286 HydrophobicContact CG1-CG 4.48Å
244	W	98.5	Very high	96.3	Very high	13 Å²	13	27 Å²	27	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-72.6	-21.1	-171.3	-61	116.5	0	0	0	114.8	R150 I152 V237 A239 C240 D241 V246 N249 I252	R150-W244 HydrophobicContact CB-CD2 4.15Å; R150-W244 HydrophobicContact CB-CG 4.13Å; R150-W244 HydrophobicContact CB-CZ2 4.29Å; R150-W244 PolarHBondContact O-NE1 3.12Å; I152-W244 HydrophobicContact CD1-CH2 3.88Å; I152-W244 HydrophobicContact CD1-CZ3 4.45Å; I152-W244 HydrophobicContact CG1-CH2 3.93Å; I152-W244 HydrophobicContact CG2-CH2 3.81Å; I152-W244 HydrophobicContact CG2-CZ2 4.38Å; I152-W244 HydrophobicContact CG2-CZ3 4.38Å; V237-W244 HydrophobicContact CG1-CH2 4.15Å; V237-W244 HydrophobicContact CG1-CZ2 3.97Å; A239-W244 HydrophobicContact CB-CZ2 4.15Å; A239-W244 VanDerWaalsContact O-CD1 3.25Å; A239-W244 PolarHBondContact O-NE1 3.27Å; C240-W244 PolarHBondContact O-N 2.82Å; D241-W244 PolarHBondContact O-N 2.82Å; W244-V246 PolarHBondContact O-N 2.98Å; W244-N249 WeakPolarHBondContact CZ3-OD1 3.3Å; W244-I252 HydrophobicContact CD2-CD1 4.46Å; W244-I252 HydrophobicContact CE3-CD1 3.78Å; W244-I252 HydrophobicContact CH2-CD1 3.65Å; W244-I252 HydrophobicContact CZ2-CD1 4.33Å; W244-I252 HydrophobicContact CZ3-CB 4.37Å; W244-I252 HydrophobicContact CZ3-CD1 3.33Å; W244-I252 HydrophobicContact CZ3-CG1 4.06Å
245	D	97.3	Very high	95.8	Very high	109 Å²	109	27 Å²	27	58%	0.583	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.8	176.6	-85	3.1	0	0	0	112.4	D241 I243	D241-D245 VanDerWaalsContact O-CB 3.25Å; D241-D245 WeakPolarHBondContact O-CB 3.41Å; D241-D245 PolarHBondContact O-N 3.07Å; I243-D245 VanDerWaalsContact C-N 3.33Å; I243-D245 PolarHBondContact O-N 3.43Å
246	V	93.1	Very high	95.4	Very high	32 Å²	32	27 Å²	27	19%	0.194	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-13.5	-177.7	-62.4	0	0	0	0	114	I243 W244 C277 K280	I243-V246 WeakPolarHBondContact O-CG2 3.38Å; I243-V246 PolarHBondContact O-N 2.79Å; W244-V246 PolarHBondContact O-N 2.98Å; V246-C277 HydrophobicContact CG2-CB 3.6Å; V246-K280 HydrophobicContact CB-CB 3.9Å; V246-K280 HydrophobicContact CG1-CB 4.42Å; V246-K280 HydrophobicContact CG2-CB 4.33Å; V246-K280 WeakPolarHBondContact O-CD 3.31Å
247	L	91.9	Very high	95	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	15%	0.152	C	C	.	.	S	Bend	trans	-128.3	132.7	175.7	-67.8	178.9	0	0	0	112	I243 E251 I252 T273 M276 C277 K280	I243-L247 PolarHBondContact O-N 3.44Å; L247-E251 WeakPolarHBondContact CA-OE2 3.46Å; L247-E251 HydrophobicContact CD2-CB 4.18Å; L247-I252 HydrophobicContact CB-CD1 4.16Å; L247-I252 HydrophobicContact CB-CG1 3.81Å; L247-I252 HydrophobicContact CD1-CD1 4.34Å; L247-I252 HydrophobicContact CD1-CG1 3.95Å; L247-T273 HydrophobicContact CD1-CG2 4.01Å; L247-M276 HydrophobicContact CD1-CG 4.47Å; L247-M276 HydrophobicContact CD2-CG 4.28Å; L247-C277 WeakPolarHBondContact CD1-SG 3.38Å; L247-K280 HydrophobicContact CD2-CD 3.54Å; L247-K280 VanDerWaalsContact CD2-CE 3.46Å; L247-K280 HydrophobicContact CG-CD 4.32Å
248	T	95.4	Very high	94.5	Very high	67 Å²	67	30 Å²	30	41%	0.411	16%	0.162	S	C	.	.			trans	-77.1	165.6	171.7	83	0	0	0	0	112.3	E250 E251 I252	T248-E250 PolarHBondContact O-N 3.03Å; T248-E250 PolarHBondContact OG1-N 3.09Å; T248-E250 PolarHBondContact OG1-OE2 3.39Å; T248-E251 PolarHBondContact N-OE2 2.98Å; T248-E251 PolarHBondContact O-N 3.33Å; T248-E251 PolarHBondContact OG1-N 2.89Å; T248-I252 PolarHBondContact O-N 3.24Å
249	N	98.1	Very high	94	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-42.2	174.2	-61.1	-15.5	0	0	0	111.7	R150 I152 V159 W244 C253	R150-N249 WeakPolarHBondContact CD-OD1 3.12Å; R150-N249 PolarHBondContact NH1-OD1 2.95Å; I152-N249 HydrophobicContact CG2-CB 4.4Å; V159-N249 HydrophobicContact CG1-CB 4.22Å; V159-N249 HydrophobicContact CG2-CB 3.97Å; V159-N249 WeakPolarHBondContact CG2-O 3.21Å; W244-N249 WeakPolarHBondContact CZ3-OD1 3.3Å; N249-C253 VanDerWaalsContact O-CB 3.26Å; N249-C253 WeakPolarHBondContact O-CB 3.41Å; N249-C253 PolarHBondContact O-N 2.95Å
250	E	96	Very high	93.7	Very high	119 Å²	119	30.3 Å²	30.3	56%	0.556	16%	0.163	S	C	*	.	H	α-helix	trans	-71	-37.2	-179.9	-63.9	69.2	-149.8	0	0	112.1	T248 C253 S254	T248-E250 PolarHBondContact O-N 3.03Å; T248-E250 PolarHBondContact OG1-N 3.09Å; T248-E250 PolarHBondContact OG1-OE2 3.39Å; E250-C253 PolarHBondContact O-N 3.31Å; E250-S254 WeakPolarHBondContact O-CB 3.46Å; E250-S254 PolarHBondContact O-N 2.79Å
251	E	91.2	Very high	93.3	Very high	77 Å²	77	35.3 Å²	35.3	36%	0.36	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-47.4	174.5	-74.2	-179.1	121.6	0	0	110.9	L247 T248 S254 L255 K280	L247-E251 WeakPolarHBondContact CA-OE2 3.46Å; L247-E251 HydrophobicContact CD2-CB 4.18Å; T248-E251 PolarHBondContact N-OE2 2.98Å; T248-E251 PolarHBondContact O-N 3.33Å; T248-E251 PolarHBondContact OG1-N 2.89Å; E251-S254 PolarHBondContact O-N 2.87Å; E251-L255 WeakPolarHBondContact O-CB 3.32Å; E251-L255 PolarHBondContact O-N 3.47Å; E251-K280 IonicContact OE1-NZ 2.84Å; E251-K280 PolarHBondContact OE1-NZ 3.49Å; E251-K280 IonicContact OE2-NZ 3.09Å
252	I	92.4	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-45.2	175.2	-66.3	-165.4	0	0	0	110.8	I152 V237 I243 W244 L247 T248 S254 L255 L256 M288	I152-I252 HydrophobicContact CD1-CG2 4.38Å; V237-I252 HydrophobicContact CG1-CG2 4.48Å; V237-I252 HydrophobicContact CG2-CG2 4.25Å; I243-I252 HydrophobicContact CG2-CD1 3.55Å; W244-I252 HydrophobicContact CD2-CD1 4.46Å; W244-I252 HydrophobicContact CE3-CD1 3.78Å; W244-I252 HydrophobicContact CH2-CD1 3.65Å; W244-I252 HydrophobicContact CZ2-CD1 4.33Å; W244-I252 HydrophobicContact CZ3-CB 4.37Å; W244-I252 HydrophobicContact CZ3-CD1 3.33Å; W244-I252 HydrophobicContact CZ3-CG1 4.06Å; L247-I252 HydrophobicContact CB-CD1 4.16Å; L247-I252 HydrophobicContact CB-CG1 3.81Å; L247-I252 HydrophobicContact CD1-CD1 4.34Å; L247-I252 HydrophobicContact CD1-CG1 3.95Å; T248-I252 PolarHBondContact O-N 3.24Å; I252-S254 VanDerWaalsContact C-N 3.35Å; I252-S254 PolarHBondContact O-N 3.42Å; I252-L255 PolarHBondContact O-N 3.11Å; I252-L256 HydrophobicContact CG2-CD1 3.51Å; I252-L256 HydrophobicContact CG2-CG 4.05Å; I252-L256 VanDerWaalsContact O-CG 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.21Å; I252-L256 PolarHBondContact O-N 2.81Å; I252-M288 HydrophobicContact CG2-CE 4.36Å
253	C	93.3	Very high	92.4	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.054	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-50	177.4	-179.7	0	0	0	0	111.4	I154 V159 N249 E250 L255 L256 Q257	I154-C253 HydrophobicContact CD1-CB 3.9Å; I154-C253 HydrophobicContact CG1-CB 4.17Å; V159-C253 HydrophobicContact CG2-CB 3.72Å; N249-C253 VanDerWaalsContact O-CB 3.26Å; N249-C253 WeakPolarHBondContact O-CB 3.41Å; N249-C253 PolarHBondContact O-N 2.95Å; E250-C253 PolarHBondContact O-N 3.31Å; C253-L255 PolarHBondContact O-N 3.22Å; C253-L256 PolarHBondContact O-N 2.93Å; C253-Q257 WeakPolarHBondContact O-CB 3.34Å; C253-Q257 WeakPolarHBondContact O-CG 3.47Å; C253-Q257 PolarHBondContact O-N 3.45Å
254	S	88.6	Confident	92.2	Very high	64 Å²	64	40.6 Å²	40.6	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-42.9	178	-173.7	0	0	0	0	111.9	E250 E251 I252 N258	E250-S254 WeakPolarHBondContact O-CB 3.46Å; E250-S254 PolarHBondContact O-N 2.79Å; E251-S254 PolarHBondContact O-N 2.87Å; I252-S254 VanDerWaalsContact C-N 3.35Å; I252-S254 PolarHBondContact O-N 3.42Å; S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.33Å; S254-N258 PolarHBondContact O-N 2.96Å; S254-N258 PolarHBondContact O-ND2 2.86Å
255	L	87.8	Confident	92.1	Very high	23 Å²	23	43.2 Å²	43.2	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-50.9	178	-175.2	158	0	0	0	111.2	E251 I252 C253 N258 R259 T273	E251-L255 WeakPolarHBondContact O-CB 3.32Å; E251-L255 PolarHBondContact O-N 3.47Å; I252-L255 PolarHBondContact O-N 3.11Å; C253-L255 PolarHBondContact O-N 3.22Å; L255-N258 WeakPolarHBondContact O-CB 3.49Å; L255-N258 PolarHBondContact O-N 2.56Å; L255-R259 HydrophobicContact CD2-CB 4.41Å; L255-R259 HydrophobicContact CD2-CG 3.7Å; L255-R259 HydrophobicContact CG-CG 4.23Å; L255-R259 WeakPolarHBondContact O-CB 3.48Å; L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 2.8Å; L255-T273 HydrophobicContact CD1-CG2 4.48Å; L255-T273 VanDerWaalsContact CD2-OG1 3.32Å; L255-T273 WeakPolarHBondContact CD2-OG1 3.42Å
256	L	90.5	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-41.6	-175.5	-64.1	173.1	0	0	0	112.4	I154 I235 V237 I252 C253 N258 R259 M260 I269 L290	I154-L256 HydrophobicContact CD1-CD1 4.16Å; I235-L256 HydrophobicContact CD1-CB 4.11Å; I235-L256 HydrophobicContact CG2-CD1 4.25Å; V237-L256 HydrophobicContact CG2-CD1 3.3Å; I252-L256 HydrophobicContact CG2-CD1 3.51Å; I252-L256 HydrophobicContact CG2-CG 4.05Å; I252-L256 VanDerWaalsContact O-CG 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.21Å; I252-L256 PolarHBondContact O-N 2.81Å; C253-L256 PolarHBondContact O-N 2.93Å; L256-N258 PolarHBondContact O-N 3.27Å; L256-N258 VanDerWaalsContact O-N 3.09Å; L256-R259 PolarHBondContact O-N 3.01Å; L256-M260 VanDerWaalsContact O-CB 3.32Å; L256-M260 WeakPolarHBondContact O-CB 3.47Å; L256-M260 VanDerWaalsContact O-CG 3.24Å; L256-M260 WeakPolarHBondContact O-CG 3.22Å; L256-M260 PolarHBondContact O-N 2.8Å; L256-I269 HydrophobicContact CD2-CG2 3.43Å; L256-I269 VanDerWaalsContact CD2-CG2 3.43Å; L256-L290 HydrophobicContact CD1-CD1 3.79Å; L256-L290 HydrophobicContact CD2-CD1 4.12Å; L256-L290 HydrophobicContact CD2-CD2 3.92Å
257	Q	90.2	Very high	92.4	Very high	25 Å²	25	37.1 Å²	37.1	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-55.2	-31.1	176.7	-76.2	-64.6	-38.6	0	0	113.3	E234 C253 R261	E234-Q257 PolarHBondContact OE2-NE2 2.85Å; C253-Q257 WeakPolarHBondContact O-CB 3.34Å; C253-Q257 WeakPolarHBondContact O-CG 3.47Å; C253-Q257 PolarHBondContact O-N 3.45Å; Q257-R261 WeakPolarHBondContact O-CD 3.39Å; Q257-R261 PolarHBondContact O-NE 3.15Å
258	N	87.8	Confident	92.5	Very high	39 Å²	39	40.8 Å²	40.8	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-89.8	-50.1	-177.1	-88.1	-30.3	0	0	0	111.8	S254 L255 L256 M260 R261 W352	S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.33Å; S254-N258 PolarHBondContact O-N 2.96Å; S254-N258 PolarHBondContact O-ND2 2.86Å; L255-N258 WeakPolarHBondContact O-CB 3.49Å; L255-N258 PolarHBondContact O-N 2.56Å; L256-N258 PolarHBondContact O-N 3.27Å; L256-N258 VanDerWaalsContact O-N 3.09Å; N258-M260 PolarHBondContact O-N 2.89Å; N258-R261 WeakPolarHBondContact O-CB 3.42Å; N258-R261 PolarHBondContact O-N 3.31Å; N258-W352 HydrophobicContact CB-CD2 3.8Å; N258-W352 HydrophobicContact CB-CE3 4.19Å; N258-W352 HydrophobicContact CB-CH2 3.71Å; N258-W352 HydrophobicContact CB-CZ2 3.26Å; N258-W352 HydrophobicContact CB-CZ3 4.18Å; N258-W352 VanDerWaalsContact ND2-CD1 3.27Å; N258-W352 PolarHBondContact ND2-NE1 3.33Å; N258-W352 VanDerWaalsContact ND2-NE1 3.17Å; N258-W352 PolarHBondContact OD1-NE1 3.5Å
259	R	88.4	Confident	92.4	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-38.7	-179	-72.1	-42.3	-55.8	158.8	-0.2	113.7	L255 L256 R261 C262 V263 I269 E272 D307 W352	L255-R259 HydrophobicContact CD2-CB 4.41Å; L255-R259 HydrophobicContact CD2-CG 3.7Å; L255-R259 HydrophobicContact CG-CG 4.23Å; L255-R259 WeakPolarHBondContact O-CB 3.48Å; L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 2.8Å; L256-R259 PolarHBondContact O-N 3.01Å; R259-R261 PolarHBondContact O-N 3.21Å; R259-R261 VanDerWaalsContact O-N 3.1Å; R259-C262 PolarHBondContact O-N 2.78Å; R259-V263 PolarHBondContact O-N 2.87Å; R259-I269 HydrophobicContact CB-CD1 4.37Å; R259-I269 HydrophobicContact CB-CG1 4.17Å; R259-I269 HydrophobicContact CB-CG2 3.82Å; R259-I269 HydrophobicContact CG-CG2 4.49Å; R259-E272 WeakPolarHBondContact CD-OE2 3.1Å; R259-E272 IonicContact CZ-OE1 2.71Å; R259-E272 IonicContact CZ-OE2 3.63Å; R259-E272 IonicContact NE-OE1 3.43Å; R259-E272 IonicContact NE-OE2 3.05Å; R259-E272 PolarHBondContact NE-OE2 2.9Å; R259-E272 IonicContact NH2-OE1 3.97Å; R259-E272 PolarHBondContact NH2-OE1 2.93Å; R259-E272 VanDerWaalsContact NH2-OE1 3.09Å; R259-E272 IonicContact NH2-OE2 3.32Å; R259-D307 IonicContact CZ-OD1 3.72Å; R259-D307 IonicContact CZ-OD2 3.45Å; R259-D307 VanDerWaalsContact CZ-OD2 3.32Å; R259-D307 IonicContact NH1-OD1 2.74Å; R259-D307 PolarHBondContact NH1-OD1 2.83Å; R259-D307 IonicContact NH1-OD2 3.52Å; R259-D307 PolarHBondContact NH1-OD2 3.21Å; R259-D307 IonicContact NH2-OD2 3.52Å; R259-D307 PolarHBondContact NH2-OD2 2.88Å; R259-W352 HydrophobicContact CG-CZ3 4.25Å
260	M	93.3	Very high	92.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.5	178.6	-68.9	-179.5	70.9	0	0	113.4	I235 L256 N258 L266 I269 A292 A296 P297 R298 V299	I235-M260 HydrophobicContact CD1-SD 3.44Å; I235-M260 WeakPolarHBondContact CD1-SD 3.18Å; I235-M260 HydrophobicContact CG1-CE 4.38Å; I235-M260 HydrophobicContact CG1-SD 3.84Å; L256-M260 VanDerWaalsContact O-CB 3.32Å; L256-M260 WeakPolarHBondContact O-CB 3.47Å; L256-M260 VanDerWaalsContact O-CG 3.24Å; L256-M260 WeakPolarHBondContact O-CG 3.22Å; L256-M260 PolarHBondContact O-N 2.8Å; N258-M260 PolarHBondContact O-N 2.89Å; M260-L266 HydrophobicContact CE-CD2 3.75Å; M260-L266 HydrophobicContact CG-CD2 4.42Å; M260-L266 HydrophobicContact SD-CD2 4.45Å; M260-I269 HydrophobicContact CB-CD1 4.15Å; M260-I269 HydrophobicContact CG-CD1 3.44Å; M260-I269 VanDerWaalsContact CG-CD1 3.44Å; M260-A292 HydrophobicContact CE-CB 3.79Å; M260-A296 HydrophobicContact CE-CB 3.6Å; M260-P297 HydrophobicContact CB-CB 3.92Å; M260-P297 WeakPolarHBondContact CE-O 3.2Å; M260-R298 CarbonylContact O-C 3.52Å; M260-V299 PolarHBondContact O-N 3.5Å
261	R	91.6	Very high	92.3	Very high	105 Å²	105	31.4 Å²	31.4	40%	0.396	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.3	171.9	-63.5	174.2	178.6	-113.2	-2.1	113.5	Q257 N258 R259 P297 R298 V299 D300 C303	Q257-R261 WeakPolarHBondContact O-CD 3.39Å; Q257-R261 PolarHBondContact O-NE 3.15Å; N258-R261 WeakPolarHBondContact O-CB 3.42Å; N258-R261 PolarHBondContact O-N 3.31Å; R259-R261 PolarHBondContact O-N 3.21Å; R259-R261 VanDerWaalsContact O-N 3.1Å; R261-P297 HydrophobicContact CG-CB 4.05Å; R261-R298 WeakPolarHBondContact CA-O 3.44Å; R261-V299 CarbonylContact O-C 3.58Å; R261-V299 WeakPolarHBondContact O-CA 3.48Å; R261-D300 PolarHBondContact O-N 3.14Å; R261-C303 HydrophobicContact CB-CB 4.06Å
262	C	87.7	Confident	92.2	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.054	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-36.4	-177	-50.9	0	0	0	0	111.3	R259 D307	R259-C262 PolarHBondContact O-N 2.78Å; C262-D307 HydrophobicContact CB-CB 3.96Å; C262-D307 WeakPolarHBondContact CB-OD2 3.36Å
263	V	89.3	Confident	92.1	Very high	31 Å²	31	29.2 Å²	29.2	19%	0.188	15%	0.152	C	C	.	.			trans	-122.3	132.5	-175.3	177.3	0	0	0	0	109.6	R259 D265 M268 I269	R259-V263 PolarHBondContact O-N 2.87Å; V263-D265 HydrophobicContact CG1-CB 4.36Å; V263-D265 WeakPolarHBondContact CG1-O 3.28Å; V263-M268 HydrophobicContact CG1-CB 3.95Å; V263-I269 HydrophobicContact CB-CD1 4.32Å; V263-I269 HydrophobicContact CB-CG1 3.96Å; V263-I269 HydrophobicContact CG1-CD1 4.49Å; V263-I269 HydrophobicContact CG1-CG1 3.92Å
264	D	94.6	Very high	92.1	Very high	95 Å²	95	28.8 Å²	28.8	51%	0.508	15%	0.15	S	C	.	.			trans	-87.4	-33.2	178.4	-170.1	55.5	0	0	0	112.7	R23 L266 V299	R23-D264 PolarHBondContact NH1-O 2.83Å; R23-D264 IonicContact NH1-OD1 3.19Å; D264-L266 PolarHBondContact O-N 3.28Å; D264-V299 HydrophobicContact CB-CG2 3.65Å
265	D	96.3	Very high	92.1	Very high	67 Å²	67	27.4 Å²	27.4	36%	0.358	14%	0.137	S	C	.	.			trans	-73.1	111	-179.5	-173.4	-26	0	0	0	110.8	T16 V263 S267 M268 I269	T16-D265 WeakPolarHBondContact CG2-OD1 3.19Å; V263-D265 HydrophobicContact CG1-CB 4.36Å; V263-D265 WeakPolarHBondContact CG1-O 3.28Å; D265-S267 VanDerWaalsContact C-N 3.3Å; D265-S267 PolarHBondContact O-N 2.53Å; D265-S267 WeakPolarHBondContact OD1-CB 3.2Å; D265-S267 PolarHBondContact OD1-N 3.07Å; D265-S267 PolarHBondContact OD1-OG 2.91Å; D265-M268 HydrophobicContact CB-CB 4.12Å; D265-M268 HydrophobicContact CB-CG 3.99Å; D265-M268 PolarHBondContact O-N 2.86Å; D265-M268 PolarHBondContact OD1-N 3.48Å; D265-I269 WeakPolarHBondContact O-CG1 3.21Å; D265-I269 PolarHBondContact O-N 3.48Å
266	L	98.2	Very high	91.8	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-30.5	-178.3	-60.2	-176.9	0	0	0	112.7	R23 M260 D264 I269 C270 L290 A292	R23-L266 HydrophobicContact CB-CD1 3.76Å; M260-L266 HydrophobicContact CE-CD2 3.75Å; M260-L266 HydrophobicContact CG-CD2 4.42Å; M260-L266 HydrophobicContact SD-CD2 4.45Å; D264-L266 PolarHBondContact O-N 3.28Å; L266-I269 HydrophobicContact CD2-CD1 4.16Å; L266-I269 PolarHBondContact O-N 2.86Å; L266-C270 PolarHBondContact O-N 2.85Å; L266-C270 PolarHBondContact O-SG 2.82Å; L266-L290 HydrophobicContact CB-CD2 4.07Å; L266-L290 HydrophobicContact CD2-CD2 3.98Å; L266-L290 HydrophobicContact CG-CD2 4.5Å; L266-A292 HydrophobicContact CD1-CB 3.72Å; L266-A292 HydrophobicContact CD2-CB 4.38Å
267	S	97.7	Very high	91.8	Very high	8 Å²	8	27.5 Å²	27.5	6%	0.056	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-36.3	176.7	67.5	0	0	0	0	111.7	T16 D265 I269 C270 N271	T16-S267 VanDerWaalsContact CG2-CB 3.44Å; T16-S267 WeakPolarHBondContact CG2-OG 3.29Å; D265-S267 VanDerWaalsContact C-N 3.3Å; D265-S267 PolarHBondContact O-N 2.53Å; D265-S267 WeakPolarHBondContact OD1-CB 3.2Å; D265-S267 PolarHBondContact OD1-N 3.07Å; D265-S267 PolarHBondContact OD1-OG 2.91Å; S267-I269 VanDerWaalsContact C-N 3.31Å; S267-I269 PolarHBondContact O-N 3.07Å; S267-C270 CarbonylContact O-C 3.48Å; S267-C270 WeakPolarHBondContact O-CA 3.5Å; S267-C270 WeakPolarHBondContact O-CB 3.26Å; S267-C270 PolarHBondContact O-N 2.79Å; S267-C270 VanDerWaalsContact O-N 3.15Å; S267-N271 VanDerWaalsContact O-CG 3.31Å; S267-N271 PolarHBondContact O-N 3.3Å; S267-N271 PolarHBondContact O-ND2 3.27Å
268	M	93.9	Very high	91.7	Very high	84 Å²	84	27 Å²	27	41%	0.414	14%	0.135	S	C	.	.	H	α-helix	trans	-65.1	-36.9	173.4	-70.7	-57.8	-57.8	0	0	112	V263 D265 C270 N271 E272	V263-M268 HydrophobicContact CG1-CB 3.95Å; D265-M268 HydrophobicContact CB-CB 4.12Å; D265-M268 HydrophobicContact CB-CG 3.99Å; D265-M268 PolarHBondContact O-N 2.86Å; D265-M268 PolarHBondContact OD1-N 3.48Å; M268-C270 VanDerWaalsContact C-N 3.32Å; M268-N271 WeakPolarHBondContact O-CB 3.44Å; M268-N271 PolarHBondContact O-N 2.88Å; M268-E272 WeakPolarHBondContact O-CG 3.42Å; M268-E272 PolarHBondContact O-N 3.19Å
269	I	93.5	Very high	91.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-38.8	173.1	-60.9	174.1	0	0	0	110.9	L256 R259 M260 V263 D265 L266 S267 E272 T273 L290	L256-I269 HydrophobicContact CD2-CG2 3.43Å; L256-I269 VanDerWaalsContact CD2-CG2 3.43Å; R259-I269 HydrophobicContact CB-CD1 4.37Å; R259-I269 HydrophobicContact CB-CG1 4.17Å; R259-I269 HydrophobicContact CB-CG2 3.82Å; R259-I269 HydrophobicContact CG-CG2 4.49Å; M260-I269 HydrophobicContact CB-CD1 4.15Å; M260-I269 HydrophobicContact CG-CD1 3.44Å; M260-I269 VanDerWaalsContact CG-CD1 3.44Å; V263-I269 HydrophobicContact CB-CD1 4.32Å; V263-I269 HydrophobicContact CB-CG1 3.96Å; V263-I269 HydrophobicContact CG1-CD1 4.49Å; V263-I269 HydrophobicContact CG1-CG1 3.92Å; D265-I269 WeakPolarHBondContact O-CG1 3.21Å; D265-I269 PolarHBondContact O-N 3.48Å; L266-I269 HydrophobicContact CD2-CD1 4.16Å; L266-I269 PolarHBondContact O-N 2.86Å; S267-I269 VanDerWaalsContact C-N 3.31Å; S267-I269 PolarHBondContact O-N 3.07Å; I269-E272 PolarHBondContact O-N 3.45Å; I269-T273 PolarHBondContact O-N 3.39Å; I269-T273 PolarHBondContact O-OG1 2.92Å; I269-L290 HydrophobicContact CB-CD2 4.25Å; I269-L290 HydrophobicContact CG2-CD2 4.05Å
270	C	96.8	Very high	91	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-43.5	172.2	-62.5	0	0	0	0	111.9	S27 L266 S267 M268 E272 T273 I274 M288 L290	S27-C270 VanDerWaalsContact CB-CB 3.47Å; L266-C270 PolarHBondContact O-N 2.85Å; L266-C270 PolarHBondContact O-SG 2.82Å; S267-C270 CarbonylContact O-C 3.48Å; S267-C270 WeakPolarHBondContact O-CA 3.5Å; S267-C270 WeakPolarHBondContact O-CB 3.26Å; S267-C270 PolarHBondContact O-N 2.79Å; S267-C270 VanDerWaalsContact O-N 3.15Å; M268-C270 VanDerWaalsContact C-N 3.32Å; C270-E272 PolarHBondContact O-N 2.87Å; C270-T273 WeakPolarHBondContact O-CB 3.24Å; C270-T273 PolarHBondContact O-N 3.48Å; C270-T273 VanDerWaalsContact O-N 3.15Å; C270-I274 WeakPolarHBondContact O-CG1 3.27Å; C270-I274 PolarHBondContact O-N 2.99Å; C270-M288 HydrophobicContact CB-CG 4.09Å; C270-M288 HydrophobicContact CB-SD 3.86Å; C270-M288 VanDerWaalsContact SG-SD 3.67Å; C270-L290 WeakPolarHBondContact SG-CB 3.06Å
271	N	94.8	Very high	90.7	Very high	14 Å²	14	34.8 Å²	34.8	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-50.8	175.6	-69.3	-27.3	0	0	0	111.4	K12 N14 S27 S267 M268 T273 I274 D275	K12-N271 HydrophobicContact CD-CB 3.89Å; K12-N271 WeakPolarHBondContact CD-OD1 3.32Å; N14-N271 PolarHBondContact ND2-ND2 2.84Å; N14-N271 VanDerWaalsContact OD1-CG 3.25Å; N14-N271 PolarHBondContact OD1-ND2 3.05Å; N14-N271 PolarHBondContact OD1-OD1 3.37Å; S27-N271 WeakPolarHBondContact CB-OD1 3.01Å; S27-N271 PolarHBondContact OG-OD1 3.36Å; S267-N271 VanDerWaalsContact O-CG 3.31Å; S267-N271 PolarHBondContact O-N 3.3Å; S267-N271 PolarHBondContact O-ND2 3.27Å; M268-N271 WeakPolarHBondContact O-CB 3.44Å; M268-N271 PolarHBondContact O-N 2.88Å; N271-T273 PolarHBondContact O-N 2.73Å; N271-I274 PolarHBondContact O-N 3.24Å; N271-I274 VanDerWaalsContact O-N 3.12Å; N271-D275 VanDerWaalsContact O-CG 3.26Å; N271-D275 PolarHBondContact O-N 2.74Å
272	E	88.8	Confident	90.9	Very high	30 Å²	30	30 Å²	30	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-33.9	178.4	-68.9	173.7	165.6	0	0	112.2	R259 M268 I269 C270 M276 K356	R259-E272 WeakPolarHBondContact CD-OE2 3.1Å; R259-E272 IonicContact CZ-OE1 2.71Å; R259-E272 IonicContact CZ-OE2 3.63Å; R259-E272 IonicContact NE-OE1 3.43Å; R259-E272 IonicContact NE-OE2 3.05Å; R259-E272 PolarHBondContact NE-OE2 2.9Å; R259-E272 IonicContact NH2-OE1 3.97Å; R259-E272 PolarHBondContact NH2-OE1 2.93Å; R259-E272 VanDerWaalsContact NH2-OE1 3.09Å; R259-E272 IonicContact NH2-OE2 3.32Å; M268-E272 WeakPolarHBondContact O-CG 3.42Å; M268-E272 PolarHBondContact O-N 3.19Å; I269-E272 PolarHBondContact O-N 3.45Å; C270-E272 PolarHBondContact O-N 2.87Å; E272-M276 PolarHBondContact O-N 3.4Å; E272-M276 VanDerWaalsContact O-N 3.14Å; E272-K356 VanDerWaalsContact CD-NZ 3.33Å; E272-K356 WeakPolarHBondContact OE1-CE 3.37Å; E272-K356 IonicContact OE1-NZ 3.75Å; E272-K356 PolarHBondContact OE1-NZ 2.69Å; E272-K356 WeakPolarHBondContact OE2-CE 3.23Å; E272-K356 IonicContact OE2-NZ 3.99Å
273	T	90.3	Very high	91.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.2	-42.5	176.2	-54.4	0	0	0	0	111.2	L247 L255 I269 C270 N271 M276 C277 M288	L247-T273 HydrophobicContact CD1-CG2 4.01Å; L255-T273 HydrophobicContact CD1-CG2 4.48Å; L255-T273 VanDerWaalsContact CD2-OG1 3.32Å; L255-T273 WeakPolarHBondContact CD2-OG1 3.42Å; I269-T273 PolarHBondContact O-N 3.39Å; I269-T273 PolarHBondContact O-OG1 2.92Å; C270-T273 WeakPolarHBondContact O-CB 3.24Å; C270-T273 PolarHBondContact O-N 3.48Å; C270-T273 VanDerWaalsContact O-N 3.15Å; N271-T273 PolarHBondContact O-N 2.73Å; T273-M276 WeakPolarHBondContact O-CB 3.36Å; T273-M276 PolarHBondContact O-N 2.8Å; T273-C277 PolarHBondContact O-N 2.99Å; T273-C277 PolarHBondContact O-SG 3.41Å; T273-C277 VanDerWaalsContact O-SG 3.36Å; T273-M288 HydrophobicContact CG2-CE 4.09Å; T273-M288 HydrophobicContact CG2-SD 4.06Å
274	I	93.8	Very high	91.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-41.9	176.3	-74	170.1	0	0	0	111.2	S27 M29 I243 C270 N271 M276 C277 L278 M286	S27-I274 WeakPolarHBondContact O-CD1 3.41Å; S27-I274 VanDerWaalsContact OG-CD1 3.31Å; S27-I274 WeakPolarHBondContact OG-CD1 3.41Å; M29-I274 HydrophobicContact CB-CG2 3.73Å; M29-I274 HydrophobicContact CE-CG2 3.39Å; M29-I274 HydrophobicContact CG-CG2 4.33Å; M29-I274 HydrophobicContact SD-CG2 3.68Å; I243-I274 HydrophobicContact CD1-CG1 3.83Å; C270-I274 WeakPolarHBondContact O-CG1 3.27Å; C270-I274 PolarHBondContact O-N 2.99Å; N271-I274 PolarHBondContact O-N 3.24Å; N271-I274 VanDerWaalsContact O-N 3.12Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.34Å; I274-C277 WeakPolarHBondContact O-CB 3.23Å; I274-C277 PolarHBondContact O-N 3.37Å; I274-L278 PolarHBondContact O-N 2.93Å; I274-M286 HydrophobicContact CG1-CB 4.28Å; I274-M286 HydrophobicContact CG2-CB 4.07Å; I274-M286 HydrophobicContact CG2-SD 4.14Å
275	D	88.1	Confident	91.8	Very high	35 Å²	35	27.3 Å²	27.3	19%	0.187	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-38.2	177	-67.4	-28.7	0	0	0	111.1	K12 N271 Y279	K12-D275 WeakPolarHBondContact CE-OD1 3.33Å; K12-D275 IonicContact NZ-OD1 2.84Å; K12-D275 PolarHBondContact NZ-OD1 3.24Å; K12-D275 IonicContact NZ-OD2 3.25Å; N271-D275 VanDerWaalsContact O-CG 3.26Å; N271-D275 PolarHBondContact O-N 2.74Å; D275-Y279 WeakPolarHBondContact O-CB 3.26Å; D275-Y279 PolarHBondContact O-N 2.99Å
276	M	82.6	Confident	91.9	Very high	25 Å²	25	24.1 Å²	24.1	12%	0.123	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-41.9	171.2	-178.2	74.2	66.2	0	0	112.2	L247 E272 T273 I274 Y279 K280 Y359	L247-M276 HydrophobicContact CD1-CG 4.47Å; L247-M276 HydrophobicContact CD2-CG 4.28Å; E272-M276 PolarHBondContact O-N 3.4Å; E272-M276 VanDerWaalsContact O-N 3.14Å; T273-M276 WeakPolarHBondContact O-CB 3.36Å; T273-M276 PolarHBondContact O-N 2.8Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.34Å; M276-Y279 WeakPolarHBondContact O-CB 3.39Å; M276-Y279 PolarHBondContact O-N 3.13Å; M276-K280 HydrophobicContact CG-CD 4.25Å; M276-K280 WeakPolarHBondContact O-CB 3.32Å; M276-K280 WeakPolarHBondContact O-CG 3.38Å; M276-K280 PolarHBondContact O-N 3.48Å; M276-Y359 HydrophobicContact CE-CD2 3.27Å; M276-Y359 HydrophobicContact CE-CE2 3.55Å; M276-Y359 HydrophobicContact CE-CG 4.34Å; M276-Y359 HydrophobicContact SD-CD2 3.53Å; M276-Y359 VanDerWaalsContact SD-CD2 3.53Å; M276-Y359 HydrophobicContact SD-CE2 3.53Å; M276-Y359 VanDerWaalsContact SD-CE2 3.53Å; M276-Y359 HydrophobicContact SD-CG 4.32Å
277	C	89.6	Confident	92	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-45.6	178.8	-70.4	0	0	0	0	111.9	I243 V246 L247 T273 I274 Y279 K280 G281 S282 M286	I243-C277 HydrophobicContact CD1-CB 3.94Å; I243-C277 VanDerWaalsContact CD1-SG 3.55Å; V246-C277 HydrophobicContact CG2-CB 3.6Å; L247-C277 WeakPolarHBondContact CD1-SG 3.38Å; T273-C277 PolarHBondContact O-N 2.99Å; T273-C277 PolarHBondContact O-SG 3.41Å; T273-C277 VanDerWaalsContact O-SG 3.36Å; I274-C277 WeakPolarHBondContact O-CB 3.23Å; I274-C277 PolarHBondContact O-N 3.37Å; C277-Y279 VanDerWaalsContact C-N 3.28Å; C277-Y279 PolarHBondContact O-N 3.39Å; C277-K280 PolarHBondContact O-N 2.86Å; C277-G281 PolarHBondContact O-N 3.26Å; C277-S282 VanDerWaalsContact O-CB 3.23Å; C277-S282 WeakPolarHBondContact O-CB 3.36Å; C277-S282 PolarHBondContact O-N 3.29Å; C277-M286 HydrophobicContact CB-SD 3.53Å; C277-M286 VanDerWaalsContact CB-SD 3.53Å
278	L	87.9	Confident	92	Very high	13 Å²	13	23.4 Å²	23.4	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-44.3	173	-175.9	66	0	0	0	110.8	P8 T10 M29 W32 I274 K280 G281 M286 E363	P8-L278 HydrophobicContact CB-CD1 4.11Å; P8-L278 HydrophobicContact CG-CD1 4.42Å; P8-L278 HydrophobicContact CG-CD2 4.47Å; T10-L278 HydrophobicContact CG2-CD2 3.67Å; M29-L278 HydrophobicContact CE-CB 3.96Å; M29-L278 HydrophobicContact CE-CD1 4.2Å; M29-L278 HydrophobicContact CE-CD2 3.85Å; M29-L278 HydrophobicContact CE-CG 4.23Å; M29-L278 HydrophobicContact SD-CD2 4.47Å; W32-L278 VanDerWaalsContact NE1-CD1 3.29Å; I274-L278 PolarHBondContact O-N 2.93Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.03Å; L278-G281 PolarHBondContact O-N 3.44Å; L278-G281 VanDerWaalsContact O-N 3.12Å; L278-M286 HydrophobicContact CB-CE 4.2Å; L278-M286 HydrophobicContact CD1-CE 4.12Å; L278-E363 VanDerWaalsContact CD2-OE1 3.28Å; L278-E363 WeakPolarHBondContact CD2-OE1 3.08Å
279	Y	79.6	Confident	92.3	Very high	74 Å²	74	19.4 Å²	19.4	29%	0.29	11%	0.111	S	C	.	.	H	α-helix	trans	-57.4	-46.9	175.7	173.4	-75.7	0	0	0	111.9	D275 M276 C277 G281 Y359 R362	D275-Y279 WeakPolarHBondContact O-CB 3.26Å; D275-Y279 PolarHBondContact O-N 2.99Å; M276-Y279 WeakPolarHBondContact O-CB 3.39Å; M276-Y279 PolarHBondContact O-N 3.13Å; C277-Y279 VanDerWaalsContact C-N 3.28Å; C277-Y279 PolarHBondContact O-N 3.39Å; Y279-G281 PolarHBondContact O-N 3.23Å; Y279-G281 VanDerWaalsContact O-N 3.12Å; Y279-Y359 HydrophobicContact CD1-CD1 4.01Å; Y279-Y359 AromaticContact CD1-CE1 3.95Å; Y279-Y359 HydrophobicContact CD1-CE1 3.95Å; Y279-Y359 AromaticContact CD2-CD1 3.5Å; Y279-Y359 HydrophobicContact CD2-CD1 3.5Å; Y279-Y359 VanDerWaalsContact CD2-CD1 3.5Å; Y279-Y359 HydrophobicContact CD2-CE1 4.14Å; Y279-Y359 HydrophobicContact CD2-CG 4.25Å; Y279-Y359 AromaticContact CE1-CD1 3.85Å; Y279-Y359 HydrophobicContact CE1-CD1 3.85Å; Y279-Y359 AromaticContact CE1-CE1 3.45Å; Y279-Y359 HydrophobicContact CE1-CE1 3.45Å; Y279-Y359 VanDerWaalsContact CE1-CE1 3.45Å; Y279-Y359 AromaticContact CE2-CD1 3.39Å; Y279-Y359 HydrophobicContact CE2-CD1 3.39Å; Y279-Y359 AromaticContact CE2-CE1 3.74Å; Y279-Y359 HydrophobicContact CE2-CE1 3.74Å; Y279-Y359 AromaticContact CG-CD1 3.93Å; Y279-Y359 HydrophobicContact CG-CD1 3.93Å; Y279-Y359 HydrophobicContact CG-CE1 4.35Å; Y279-Y359 AromaticContact CZ-CD1 3.6Å; Y279-Y359 AromaticContact CZ-CE1 3.38Å; Y279-R362 VanDerWaalsContact CA-NH1 3.31Å; Y279-R362 HydrophobicContact CD2-CG 4.47Å; Y279-R362 VanDerWaalsContact CE2-CD 3.48Å; Y279-R362 PolarHBondContact O-NH1 3.29Å
280	K	83.1	Confident	92.5	Very high	82 Å²	82	19.4 Å²	19.4	36%	0.357	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	3.4	-179.1	-77.2	180	167.1	-115.5	0	113.4	V246 L247 E251 M276 C277 L278	V246-K280 HydrophobicContact CB-CB 3.9Å; V246-K280 HydrophobicContact CG1-CB 4.42Å; V246-K280 HydrophobicContact CG2-CB 4.33Å; V246-K280 WeakPolarHBondContact O-CD 3.31Å; L247-K280 HydrophobicContact CD2-CD 3.54Å; L247-K280 VanDerWaalsContact CD2-CE 3.46Å; L247-K280 HydrophobicContact CG-CD 4.32Å; E251-K280 IonicContact OE1-NZ 2.84Å; E251-K280 PolarHBondContact OE1-NZ 3.49Å; E251-K280 IonicContact OE2-NZ 3.09Å; M276-K280 HydrophobicContact CG-CD 4.25Å; M276-K280 WeakPolarHBondContact O-CB 3.32Å; M276-K280 WeakPolarHBondContact O-CG 3.38Å; M276-K280 PolarHBondContact O-N 3.48Å; C277-K280 PolarHBondContact O-N 2.86Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.03Å
281	G	87.4	Confident	92.6	Very high	54 Å²	54	19.4 Å²	19.4	56%	0.557	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	96	18.5	172	0	0	0	0	0	114	C277 L278 Y279 S283	C277-G281 PolarHBondContact O-N 3.26Å; L278-G281 PolarHBondContact O-N 3.44Å; L278-G281 VanDerWaalsContact O-N 3.12Å; Y279-G281 PolarHBondContact O-N 3.23Å; Y279-G281 VanDerWaalsContact O-N 3.12Å; G281-S283 PolarHBondContact O-N 2.78Å
282	S	94.2	Very high	92.8	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.035	11%	0.107	C	C	.	.			trans	-60.4	129.2	169	-175.3	0	0	0	0	109.7	G242 C277	G242-S282 VanDerWaalsContact O-CB 3.26Å; G242-S282 WeakPolarHBondContact O-CB 3.38Å; G242-S282 PolarHBondContact O-OG 3.41Å; C277-S282 VanDerWaalsContact O-CB 3.23Å; C277-S282 WeakPolarHBondContact O-CB 3.36Å; C277-S282 PolarHBondContact O-N 3.29Å
283	S	95.5	Very high	93.3	Very high	52 Å²	52	17.5 Å²	17.5	36%	0.364	10%	0.101	S	C	.	.			trans	-114	10.4	178.8	60.1	0	0	0	0	112.5	G281	G281-S283 PolarHBondContact O-N 2.78Å
284	D	98	Very high	93.6	Very high	22 Å²	22	21.9 Å²	21.9	12%	0.118	12%	0.124	C	C	.	.	S	Bend	trans	-100.5	176.5	-176.3	-132.4	-37.4	0	0	0	113.3	R33 M286	R33-D284 WeakPolarHBondContact CG-OD1 3.3Å; R33-D284 IonicContact CZ-OD1 2.84Å; R33-D284 IonicContact CZ-OD2 3.83Å; R33-D284 IonicContact NE-OD1 2.92Å; R33-D284 PolarHBondContact NE-OD1 3.38Å; R33-D284 IonicContact NE-OD2 2.84Å; R33-D284 PolarHBondContact NE-OD2 2.93Å; R33-D284 IonicContact NH2-OD1 2.62Å; R33-D284 PolarHBondContact NH2-OD1 3.11Å; R33-D284 IonicContact NH2-OD2 3.63Å; R33-D284 PolarHBondContact NH2-OD2 3.12Å; D284-M286 WeakPolarHBondContact O-CE 3.25Å
285	N	98.4	Very high	93.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	14%	0.137	C	C	.	.			trans	-61.8	150	156.6	-64	157.4	0	0	0	109.3	Q30 R33 S35 M36 E37 C240	Q30-N285 PolarHBondContact O-ND2 2.76Å; R33-N285 WeakPolarHBondContact CB-ND2 3.14Å; S35-N285 PolarHBondContact O-ND2 3.3Å; S35-N285 PolarHBondContact O-OD1 2.88Å; M36-N285 HydrophobicContact SD-CB 3.96Å; E37-N285 PolarHBondContact N-OD1 2.75Å; C240-N285 PolarHBondContact SG-O 3.33Å
286	M	98.4	Very high	94.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	101.1	-174.2	-81.9	174.8	-87.3	0	0	109.8	S28 M29 I243 I274 C277 L278 D284	S28-M286 CarbonylContact C-O 3.56Å; S28-M286 VanDerWaalsContact CA-O 3.28Å; S28-M286 WeakPolarHBondContact CA-O 3.27Å; M29-M286 HydrophobicContact CE-CE 3.22Å; M29-M286 HydrophobicContact CE-SD 4.05Å; M29-M286 PolarHBondContact N-O 3.48Å; M29-M286 PolarHBondContact O-N 3.29Å; I243-M286 HydrophobicContact CD1-CB 3.84Å; I243-M286 HydrophobicContact CD1-CG 3.75Å; I243-M286 HydrophobicContact CD1-SD 4.21Å; I243-M286 HydrophobicContact CG1-CG 4.48Å; I274-M286 HydrophobicContact CG1-CB 4.28Å; I274-M286 HydrophobicContact CG2-CB 4.07Å; I274-M286 HydrophobicContact CG2-SD 4.14Å; C277-M286 HydrophobicContact CB-SD 3.53Å; C277-M286 VanDerWaalsContact CB-SD 3.53Å; L278-M286 HydrophobicContact CB-CE 4.2Å; L278-M286 HydrophobicContact CD1-CE 4.12Å; D284-M286 WeakPolarHBondContact O-CE 3.25Å
287	S	98.8	Very high	94.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.7	172.6	-58.8	0	0	0	0	112.4	S27 S28 D38 A239 C240	S27-S287 WeakPolarHBondContact O-CA 3.36Å; S28-S287 WeakPolarHBondContact CB-OG 3.38Å; S28-S287 VanDerWaalsContact OG-CB 3.29Å; S28-S287 WeakPolarHBondContact OG-CB 3.48Å; S28-S287 PolarHBondContact OG-OG 3.42Å; D38-S287 WeakPolarHBondContact CB-OG 3.45Å; D38-S287 WeakPolarHBondContact OD2-CB 3.46Å; D38-S287 PolarHBondContact OD2-N 2.77Å; D38-S287 PolarHBondContact OD2-OG 2.88Å; A239-S287 VanDerWaalsContact CA-O 3.25Å; A239-S287 WeakPolarHBondContact CA-O 3.29Å; A239-S287 WeakPolarHBondContact CB-O 3.49Å; C240-S287 PolarHBondContact N-O 3.37Å; C240-S287 VanDerWaalsContact N-O 3.12Å; C240-S287 PolarHBondContact SG-N 2.64Å
288	M	98.7	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.8	178.8	151.3	178.7	-105.3	0	0	110.5	I26 S27 V237 L238 A239 I252 C270 T273	I26-M288 WeakPolarHBondContact CA-O 3.17Å; I26-M288 WeakPolarHBondContact CG2-O 3.44Å; S27-M288 PolarHBondContact N-O 3.43Å; S27-M288 PolarHBondContact O-N 2.95Å; V237-M288 HydrophobicContact CB-CE 4.44Å; V237-M288 HydrophobicContact CG1-CE 3.36Å; V237-M288 HydrophobicContact CG2-CE 4.24Å; L238-M288 CarbonylContact O-C 3.54Å; L238-M288 WeakPolarHBondContact O-CA 3.41Å; A239-M288 HydrophobicContact CB-CB 4.09Å; I252-M288 HydrophobicContact CG2-CE 4.36Å; C270-M288 HydrophobicContact CB-CG 4.09Å; C270-M288 HydrophobicContact CB-SD 3.86Å; C270-M288 VanDerWaalsContact SG-SD 3.67Å; T273-M288 HydrophobicContact CG2-CE 4.09Å; T273-M288 HydrophobicContact CG2-SD 4.06Å
289	V	98.9	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.9	166.6	-179.9	0	0	0	0	108.7	I26 H40 F56 V58 V237 L238 V291	I26-V289 HydrophobicContact CD1-CG2 4.25Å; I26-V289 HydrophobicContact CG1-CG1 4.31Å; I26-V289 HydrophobicContact CG1-CG2 4.07Å; I26-V289 HydrophobicContact CG2-CG2 4.12Å; H40-V289 HydrophobicContact CB-CG2 4.27Å; F56-V289 HydrophobicContact CB-CG1 4.14Å; F56-V289 HydrophobicContact CD1-CG1 3.96Å; F56-V289 HydrophobicContact CG-CG1 4.39Å; V58-V289 HydrophobicContact CG2-CB 4.31Å; V58-V289 HydrophobicContact CG2-CG2 3.69Å; V237-V289 WeakPolarHBondContact CA-O 3.41Å; L238-V289 HydrophobicContact CB-CB 4.35Å; L238-V289 HydrophobicContact CD1-CB 4.24Å; L238-V289 HydrophobicContact CD1-CG1 4.31Å; L238-V289 PolarHBondContact N-O 3.48Å; L238-V289 PolarHBondContact O-N 3.29Å; V289-V291 HydrophobicContact CG1-CG2 4.07Å
290	L	98.9	Very high	96.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119	177.3	177.2	61.8	0	0	0	109.4	Y24 G25 I235 V237 L256 L266 I269 C270	Y24-L290 CarbonylContact C-O 3.47Å; Y24-L290 WeakPolarHBondContact CA-O 3.49Å; Y24-L290 WeakPolarHBondContact CB-O 3.31Å; G25-L290 PolarHBondContact N-O 3.45Å; G25-L290 PolarHBondContact O-N 2.84Å; I235-L290 HydrophobicContact CG2-CD1 3.26Å; V237-L290 HydrophobicContact CG2-CD1 3.77Å; L256-L290 HydrophobicContact CD1-CD1 3.79Å; L256-L290 HydrophobicContact CD2-CD1 4.12Å; L256-L290 HydrophobicContact CD2-CD2 3.92Å; L266-L290 HydrophobicContact CB-CD2 4.07Å; L266-L290 HydrophobicContact CD2-CD2 3.98Å; L266-L290 HydrophobicContact CG-CD2 4.5Å; I269-L290 HydrophobicContact CB-CD2 4.25Å; I269-L290 HydrophobicContact CG2-CD2 4.05Å; C270-L290 WeakPolarHBondContact SG-CB 3.06Å
291	V	98.9	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.8	178	-174	0	0	0	0	108.9	L22 R23 F56 I136 I235 I236 V289	L22-V291 HydrophobicContact CB-CG1 4.19Å; L22-V291 HydrophobicContact CD1-CG1 4.15Å; L22-V291 HydrophobicContact CD2-CG1 4.37Å; L22-V291 HydrophobicContact CG-CG1 4.47Å; R23-V291 CarbonylContact O-C 3.6Å; R23-V291 WeakPolarHBondContact O-CA 3.46Å; F56-V291 HydrophobicContact CB-CG2 4.26Å; F56-V291 HydrophobicContact CD1-CG2 3.79Å; F56-V291 HydrophobicContact CD2-CG1 4.45Å; F56-V291 HydrophobicContact CD2-CG2 3.73Å; F56-V291 HydrophobicContact CE1-CG2 4.01Å; F56-V291 HydrophobicContact CE2-CG1 3.95Å; F56-V291 HydrophobicContact CE2-CG2 3.94Å; F56-V291 HydrophobicContact CG-CG2 3.65Å; F56-V291 HydrophobicContact CZ-CG1 4.14Å; F56-V291 HydrophobicContact CZ-CG2 4.06Å; I136-V291 HydrophobicContact CD1-CG1 4.24Å; I235-V291 CarbonylContact C-O 3.55Å; I235-V291 VanDerWaalsContact CA-O 3.29Å; I235-V291 WeakPolarHBondContact CA-O 3.15Å; I236-V291 HydrophobicContact CB-CB 4.26Å; I236-V291 PolarHBondContact N-O 3.2Å; I236-V291 PolarHBondContact O-N 3.43Å; V289-V291 HydrophobicContact CG1-CG2 4.07Å
292	A	98.8	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.8	178.8	0	0	0	0	0	111.1	R23 M260 L266 A296	R23-A292 PolarHBondContact N-O 3.48Å; R23-A292 PolarHBondContact O-N 2.96Å; M260-A292 HydrophobicContact CE-CB 3.79Å; L266-A292 HydrophobicContact CD1-CB 3.72Å; L266-A292 HydrophobicContact CD2-CB 4.38Å; A292-A296 HydrophobicContact CB-CB 3.83Å
293	F	98.6	Very high	96.7	Very high	3 Å²	3	31 Å²	31	1%	0.013	18%	0.177	C	C	.	.			trans	-83.8	175.5	168.5	-64.4	-86.7	0	0	0	111.1	L22 I136 I141 L153 R228 D233 E234 I236 A296	L22-F293 HydrophobicContact CD2-CD1 3.25Å; L22-F293 HydrophobicContact CD2-CE1 3.36Å; L22-F293 HydrophobicContact CD2-CG 4.04Å; L22-F293 HydrophobicContact CD2-CZ 4.2Å; I136-F293 HydrophobicContact CD1-CZ 4.09Å; I136-F293 HydrophobicContact CG2-CE1 4.16Å; I136-F293 HydrophobicContact CG2-CZ 4.43Å; I141-F293 HydrophobicContact CD1-CZ 4.07Å; I141-F293 HydrophobicContact CG1-CZ 4.47Å; L153-F293 HydrophobicContact CD1-CE2 4.45Å; R228-F293 VanDerWaalsContact NH2-CD1 3.34Å; D233-F293 HydrophobicContact CB-CD2 4.11Å; D233-F293 HydrophobicContact CB-CE2 4.44Å; D233-F293 HydrophobicContact CB-CG 4.19Å; D233-F293 VanDerWaalsContact O-CB 3.22Å; D233-F293 WeakPolarHBondContact O-CB 3.48Å; E234-F293 PolarHBondContact O-N 3.38Å; I236-F293 HydrophobicContact CD1-CE2 3.66Å; I236-F293 HydrophobicContact CD1-CZ 3.64Å; I236-F293 HydrophobicContact CG1-CE2 3.85Å; I236-F293 HydrophobicContact CG1-CZ 4.36Å; F293-A296 WeakPolarHBondContact O-CB 3.42Å; F293-A296 PolarHBondContact O-N 3.5Å; F293-A296 VanDerWaalsContact O-N 3.16Å
294	D	97.6	Very high	96.2	Very high	92 Å²	92	32.6 Å²	32.6	49%	0.492	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-45.5	179.6	-71.2	-26.7	0	0	0	113.7	A296	D294-A296 PolarHBondContact O-N 3.18Å
295	P	98	Very high	95.8	Very high	42 Å²	42	34.9 Å²	34.9	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.5	177.3	-21.6	33.4	0	0	0	115.7	K230 D233 E234	K230-P295 WeakPolarHBondContact O-CG 3.12Å; D233-P295 WeakPolarHBondContact O-CD 3.46Å; D233-P295 VanDerWaalsContact O-CG 3.28Å; D233-P295 WeakPolarHBondContact O-CG 3.33Å; E234-P295 HydrophobicContact CG-CB 4.13Å
296	A	98.4	Very high	95.1	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.025	21%	0.214	C	C	.	.	S	Bend	trans	-55.3	146.9	-179.8	0	0	0	0	0	111.2	E234 I235 M260 A292 F293 D294 R298	E234-A296 HydrophobicContact CB-CB 4.45Å; E234-A296 WeakPolarHBondContact O-CB 3.38Å; I235-A296 HydrophobicContact CG1-CB 4.16Å; M260-A296 HydrophobicContact CE-CB 3.6Å; A292-A296 HydrophobicContact CB-CB 3.83Å; F293-A296 WeakPolarHBondContact O-CB 3.42Å; F293-A296 PolarHBondContact O-N 3.5Å; F293-A296 VanDerWaalsContact O-N 3.16Å; D294-A296 PolarHBondContact O-N 3.18Å; A296-R298 PolarHBondContact O-N 3.1Å
297	P	96.1	Very high	94.3	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.104	22%	0.216	C	C	.	.			trans	-52.9	140.9	176.3	-23.7	32.7	0	0	0	111.5	M260 R261	M260-P297 HydrophobicContact CB-CB 3.92Å; M260-P297 WeakPolarHBondContact CE-O 3.2Å; R261-P297 HydrophobicContact CG-CB 4.05Å
298	R	96	Very high	93.6	Very high	108 Å²	108	44.1 Å²	44.1	41%	0.408	24%	0.236	S	C	.	.			trans	-116.3	162.4	175.4	-61.5	-61.6	-175.3	140.3	-0.3	108.7	R23 M260 R261 A296 D300	R23-R298 VanDerWaalsContact CZ-CZ 3.47Å; R23-R298 VanDerWaalsContact NE-CZ 3.32Å; R23-R298 VanDerWaalsContact NH2-CZ 3.29Å; M260-R298 CarbonylContact O-C 3.52Å; R261-R298 WeakPolarHBondContact CA-O 3.44Å; A296-R298 PolarHBondContact O-N 3.1Å; R298-D300 PolarHBondContact O-N 3.44Å; R298-D300 VanDerWaalsContact O-N 3.13Å
299	V	96.2	Very high	92.8	Very high	46 Å²	46	48.6 Å²	48.6	28%	0.279	26%	0.26	S	S	.	.			trans	-54.2	120.8	177	178	0	0	0	0	110.2	M260 R261 D264 K304	M260-V299 PolarHBondContact O-N 3.5Å; R261-V299 CarbonylContact O-C 3.58Å; R261-V299 WeakPolarHBondContact O-CA 3.48Å; D264-V299 HydrophobicContact CB-CG2 3.65Å; V299-K304 HydrophobicContact CG1-CB 3.93Å; V299-K304 HydrophobicContact CG1-CD 3.81Å; V299-K304 HydrophobicContact CG1-CG 4.44Å
300	D	92.6	Very high	91.9	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	27%	0.265	S	S	.	.			trans	-93.7	120.9	168	-176.7	-38.3	0	0	0	106.9	R261 R298 T302 C303 K304	R261-D300 PolarHBondContact O-N 3.14Å; R298-D300 PolarHBondContact O-N 3.44Å; R298-D300 VanDerWaalsContact O-N 3.13Å; D300-T302 PolarHBondContact O-N 3.07Å; D300-T302 VanDerWaalsContact O-N 3.1Å; D300-T302 VanDerWaalsContact OD1-CB 3.24Å; D300-T302 WeakPolarHBondContact OD1-CB 3.31Å; D300-T302 PolarHBondContact OD1-N 3.03Å; D300-T302 PolarHBondContact OD1-OG1 3.38Å; D300-T302 VanDerWaalsContact OD1-OG1 3.12Å; D300-C303 HydrophobicContact CB-CB 3.95Å; D300-C303 PolarHBondContact O-N 2.82Å; D300-C303 VanDerWaalsContact O-N 3.16Å; D300-K304 WeakPolarHBondContact O-CB 3.3Å; D300-K304 PolarHBondContact O-N 2.89Å
301	P	94.8	Very high	90.8	Very high	96 Å²	96	52.4 Å²	52.4	62%	0.623	28%	0.278	S	S	*	.	H	α-helix	trans	-53.9	-31.6	-179.5	-27.3	35.2	0	0	0	113.9	T305	P301-T305 WeakPolarHBondContact O-CB 3.25Å; P301-T305 PolarHBondContact O-N 2.68Å; P301-T305 PolarHBondContact O-OG1 2.84Å
302	T	92.7	Very high	90	Very high	81 Å²	81	56 Å²	56	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-69.9	-55.2	178.1	-42.4	0	0	0	0	109.9	D300 K304 T305 E306	D300-T302 PolarHBondContact O-N 3.07Å; D300-T302 VanDerWaalsContact O-N 3.1Å; D300-T302 VanDerWaalsContact OD1-CB 3.24Å; D300-T302 WeakPolarHBondContact OD1-CB 3.31Å; D300-T302 PolarHBondContact OD1-N 3.03Å; D300-T302 PolarHBondContact OD1-OG1 3.38Å; D300-T302 VanDerWaalsContact OD1-OG1 3.12Å; T302-K304 VanDerWaalsContact C-N 3.27Å; T302-K304 PolarHBondContact O-N 3.16Å; T302-T305 PolarHBondContact O-N 2.79Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T302-E306 WeakPolarHBondContact O-CG 3.16Å; T302-E306 PolarHBondContact O-N 2.81Å
303	C	85.6	Confident	89.1	Confident	32 Å²	32	59.4 Å²	59.4	22%	0.216	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-41.2	178.5	-62.4	0	0	0	0	111.8	R261 D300 E306 D307	R261-C303 HydrophobicContact CB-CB 4.06Å; D300-C303 HydrophobicContact CB-CB 3.95Å; D300-C303 PolarHBondContact O-N 2.82Å; D300-C303 VanDerWaalsContact O-N 3.16Å; C303-E306 PolarHBondContact O-N 2.92Å; C303-D307 WeakPolarHBondContact O-CB 3.36Å; C303-D307 PolarHBondContact O-N 2.92Å
304	K	86.4	Confident	88.1	Confident	86 Å²	86	59.2 Å²	59.2	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.6	177.9	173	174.1	176.8	0	112.1	V299 D300 T302 E306 D307 E308	V299-K304 HydrophobicContact CG1-CB 3.93Å; V299-K304 HydrophobicContact CG1-CD 3.81Å; V299-K304 HydrophobicContact CG1-CG 4.44Å; D300-K304 WeakPolarHBondContact O-CB 3.3Å; D300-K304 PolarHBondContact O-N 2.89Å; T302-K304 VanDerWaalsContact C-N 3.27Å; T302-K304 PolarHBondContact O-N 3.16Å; K304-E306 VanDerWaalsContact C-N 3.31Å; K304-E306 PolarHBondContact O-N 2.86Å; K304-D307 PolarHBondContact O-N 2.87Å; K304-E308 WeakPolarHBondContact CE-OE1 3.42Å; K304-E308 HydrophobicContact CG-CG 4.46Å; K304-E308 IonicContact NZ-OE1 2.72Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.14Å
305	T	88.7	Confident	87.2	Confident	71 Å²	71	57 Å²	57	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-39.4	179.1	-56.8	0	0	0	0	111.1	P301 T302 N309	P301-T305 WeakPolarHBondContact O-CB 3.25Å; P301-T305 PolarHBondContact O-N 2.68Å; P301-T305 PolarHBondContact O-OG1 2.84Å; T302-T305 PolarHBondContact O-N 2.79Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T305-N309 VanDerWaalsContact O-CB 3.29Å; T305-N309 WeakPolarHBondContact O-CB 3.49Å; T305-N309 PolarHBondContact O-N 3.01Å; T305-N309 PolarHBondContact O-ND2 2.83Å; T305-N309 VanDerWaalsContact O-ND2 3.08Å
306	E	84.3	Confident	86.5	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175.1	-72	172.4	171.9	0	0	112	T302 C303 K304 N309 L310	T302-E306 WeakPolarHBondContact O-CG 3.16Å; T302-E306 PolarHBondContact O-N 2.81Å; C303-E306 PolarHBondContact O-N 2.92Å; K304-E306 VanDerWaalsContact C-N 3.31Å; K304-E306 PolarHBondContact O-N 2.86Å; E306-N309 PolarHBondContact O-N 3.19Å; E306-L310 VanDerWaalsContact O-CB 3.31Å; E306-L310 WeakPolarHBondContact O-CB 3.13Å; E306-L310 PolarHBondContact O-N 3Å
307	D	81.3	Confident	85.7	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-48.4	175.4	-167.3	49.7	0	0	0	111.7	R259 C262 C303 K304 L310 E311 L353 H357	R259-D307 IonicContact CZ-OD1 3.72Å; R259-D307 IonicContact CZ-OD2 3.45Å; R259-D307 VanDerWaalsContact CZ-OD2 3.32Å; R259-D307 IonicContact NH1-OD1 2.74Å; R259-D307 PolarHBondContact NH1-OD1 2.83Å; R259-D307 IonicContact NH1-OD2 3.52Å; R259-D307 PolarHBondContact NH1-OD2 3.21Å; R259-D307 IonicContact NH2-OD2 3.52Å; R259-D307 PolarHBondContact NH2-OD2 2.88Å; C262-D307 HydrophobicContact CB-CB 3.96Å; C262-D307 WeakPolarHBondContact CB-OD2 3.36Å; C303-D307 WeakPolarHBondContact O-CB 3.36Å; C303-D307 PolarHBondContact O-N 2.92Å; K304-D307 PolarHBondContact O-N 2.87Å; D307-L310 PolarHBondContact O-N 2.86Å; D307-E311 PolarHBondContact O-N 2.98Å; D307-L353 HydrophobicContact CB-CD2 4.21Å; D307-L353 WeakPolarHBondContact OD1-CD2 3.4Å; D307-H357 PolarHBondContact O-CE1 3.31Å; D307-H357 PolarHBondContact O-NE2 3.29Å; D307-H357 VanDerWaalsContact O-NE2 3.15Å; D307-H357 IonicContact OD1-CD2 3.73Å; D307-H357 IonicContact OD1-CE1 3.71Å; D307-H357 IonicContact OD1-NE2 2.82Å; D307-H357 PolarHBondContact OD1-NE2 3.1Å
308	E	84	Confident	84.8	Confident	91 Å²	91	64 Å²	64	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-38.9	178.6	-71.4	173.5	167.5	0	0	112.4	K304 S312	K304-E308 WeakPolarHBondContact CE-OE1 3.42Å; K304-E308 HydrophobicContact CG-CG 4.46Å; K304-E308 IonicContact NZ-OE1 2.72Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.14Å; E308-S312 WeakPolarHBondContact O-CB 3.33Å; E308-S312 PolarHBondContact O-N 2.89Å; E308-S312 PolarHBondContact O-OG 3.36Å
309	N	83.1	Confident	84.2	Confident	93 Å²	93	63.4 Å²	63.4	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-44.3	175.7	-77.5	-29.1	0	0	0	111.4	T305 E306 S312 V313	T305-N309 VanDerWaalsContact O-CB 3.29Å; T305-N309 WeakPolarHBondContact O-CB 3.49Å; T305-N309 PolarHBondContact O-N 3.01Å; T305-N309 PolarHBondContact O-ND2 2.83Å; T305-N309 VanDerWaalsContact O-ND2 3.08Å; E306-N309 PolarHBondContact O-N 3.19Å; N309-S312 PolarHBondContact O-N 2.85Å; N309-V313 WeakPolarHBondContact O-CG2 3.22Å; N309-V313 PolarHBondContact O-N 3.12Å
310	L	78.5	Confident	83.7	Confident	22 Å²	22	65.1 Å²	65.1	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-49.3	176.7	-180	55.9	0	0	0	109.9	E306 D307 S312 V313 L314 V343 L346 L353 H357	E306-L310 VanDerWaalsContact O-CB 3.31Å; E306-L310 WeakPolarHBondContact O-CB 3.13Å; E306-L310 PolarHBondContact O-N 3Å; D307-L310 PolarHBondContact O-N 2.86Å; L310-S312 PolarHBondContact O-N 3.15Å; L310-V313 WeakPolarHBondContact O-CB 3.33Å; L310-V313 PolarHBondContact O-N 3.35Å; L310-L314 HydrophobicContact CD1-CD1 3.76Å; L310-L314 HydrophobicContact CD1-CG 4.14Å; L310-L314 HydrophobicContact CG-CD1 3.7Å; L310-L314 WeakPolarHBondContact O-CD1 3.18Å; L310-L314 WeakPolarHBondContact O-CG 3.35Å; L310-L314 PolarHBondContact O-N 2.98Å; L310-V343 HydrophobicContact CD1-CG1 4.25Å; L310-L346 HydrophobicContact CD1-CD1 3.9Å; L310-L353 HydrophobicContact CD2-CB 3.69Å; L310-H357 WeakPolarHBondContact CD2-CD2 3.45Å; L310-H357 VanDerWaalsContact CG-CD2 3.47Å; L310-H357 WeakPolarHBondContact CG-CD2 3.42Å
311	E	76.8	Confident	83.3	Confident	59 Å²	59	63.2 Å²	63.2	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-50.9	-46.9	176.4	-159.3	167.6	173.5	0	0	112.2	D307 L314 L315 H357 Y361	D307-E311 PolarHBondContact O-N 2.98Å; E311-L314 PolarHBondContact O-N 3.13Å; E311-L315 WeakPolarHBondContact O-CB 3.43Å; E311-L315 PolarHBondContact O-N 3.3Å; E311-H357 VanDerWaalsContact CA-CE1 3.43Å; E311-H357 WeakPolarHBondContact CA-CE1 3.1Å; E311-H357 WeakPolarHBondContact CA-ND1 3.39Å; E311-H357 WeakPolarHBondContact CB-CE1 3.38Å; E311-H357 IonicContact OE2-CE1 3.11Å; E311-Y361 PolarHBondContact O-OH 3.05Å
312	S	81	Confident	82.8	Confident	74 Å²	74	62.5 Å²	62.5	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-42.3	-179.9	-61.1	0	0	0	0	112.1	E308 N309 L310 L315 Q316	E308-S312 WeakPolarHBondContact O-CB 3.33Å; E308-S312 PolarHBondContact O-N 2.89Å; E308-S312 PolarHBondContact O-OG 3.36Å; N309-S312 PolarHBondContact O-N 2.85Å; L310-S312 PolarHBondContact O-N 3.15Å; S312-L315 WeakPolarHBondContact O-CB 3.49Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 PolarHBondContact O-N 3.35Å; S312-Q316 VanDerWaalsContact O-N 3.09Å
313	V	80.2	Confident	82.5	Confident	72 Å²	72	65.2 Å²	65.2	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-46.9	176.8	168.2	0	0	0	0	110.3	N309 L310 L315 Q316 R317	N309-V313 WeakPolarHBondContact O-CG2 3.22Å; N309-V313 PolarHBondContact O-N 3.12Å; L310-V313 WeakPolarHBondContact O-CB 3.33Å; L310-V313 PolarHBondContact O-N 3.35Å; V313-L315 VanDerWaalsContact C-N 3.31Å; V313-L315 PolarHBondContact O-N 2.91Å; V313-Q316 PolarHBondContact O-N 3.17Å; V313-R317 HydrophobicContact CG1-CG 4.43Å; V313-R317 VanDerWaalsContact O-CG 3.3Å; V313-R317 WeakPolarHBondContact O-CG 3.45Å; V313-R317 PolarHBondContact O-N 2.83Å
314	L	77.5	Confident	82.7	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-29.8	-178.2	-63.4	149	0	0	0	112.4	L310 E311 Q316 R317 T318 L339 V343 H357 V358 Y361	L310-L314 HydrophobicContact CD1-CD1 3.76Å; L310-L314 HydrophobicContact CD1-CG 4.14Å; L310-L314 HydrophobicContact CG-CD1 3.7Å; L310-L314 WeakPolarHBondContact O-CD1 3.18Å; L310-L314 WeakPolarHBondContact O-CG 3.35Å; L310-L314 PolarHBondContact O-N 2.98Å; E311-L314 PolarHBondContact O-N 3.13Å; L314-Q316 VanDerWaalsContact C-N 3.32Å; L314-R317 PolarHBondContact O-N 2.69Å; L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.36Å; L314-T318 PolarHBondContact O-N 3.19Å; L314-T318 PolarHBondContact O-OG1 2.77Å; L314-L339 HydrophobicContact CD2-CB 4.47Å; L314-L339 HydrophobicContact CD2-CD1 4.15Å; L314-L339 HydrophobicContact CD2-CD2 4.11Å; L314-L339 HydrophobicContact CD2-CG 4.47Å; L314-V343 HydrophobicContact CD2-CG2 3.87Å; L314-H357 HydrophobicContact CD1-CB 3.1Å; L314-H357 HydrophobicContact CG-CB 4.47Å; L314-V358 HydrophobicContact CD2-CG2 4.11Å; L314-Y361 VanDerWaalsContact C-CZ 3.41Å; L314-Y361 HydrophobicContact CB-CD2 3.67Å; L314-Y361 HydrophobicContact CB-CE2 3.17Å; L314-Y361 HydrophobicContact CD1-CE2 4.32Å; L314-Y361 HydrophobicContact CG-CE2 4.39Å
315	L	78.4	Confident	82.7	Confident	46 Å²	46	69.7 Å²	69.7	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-49.9	173	-162.2	104	0	0	0	110.1	E311 S312 V313 T318 K319 Y361 V366	E311-L315 WeakPolarHBondContact O-CB 3.43Å; E311-L315 PolarHBondContact O-N 3.3Å; S312-L315 WeakPolarHBondContact O-CB 3.49Å; S312-L315 PolarHBondContact O-N 2.98Å; V313-L315 VanDerWaalsContact C-N 3.31Å; V313-L315 PolarHBondContact O-N 2.91Å; L315-T318 PolarHBondContact O-N 3.06Å; L315-K319 HydrophobicContact CD2-CD 4.14Å; L315-K319 HydrophobicContact CG-CD 4.38Å; L315-K319 WeakPolarHBondContact O-CB 3.28Å; L315-K319 VanDerWaalsContact O-CG 3.26Å; L315-K319 WeakPolarHBondContact O-CG 3.46Å; L315-K319 PolarHBondContact O-N 2.81Å; L315-Y361 VanDerWaalsContact CA-CE1 3.44Å; L315-Y361 WeakPolarHBondContact CA-OH 3.18Å; L315-Y361 HydrophobicContact CB-CE1 4.19Å; L315-Y361 WeakPolarHBondContact CB-OH 3.25Å; L315-Y361 HydrophobicContact CD1-CE1 4.09Å; L315-Y361 WeakPolarHBondContact CD1-OH 3.41Å; L315-Y361 HydrophobicContact CG-CE1 4.32Å; L315-Y361 WeakPolarHBondContact CG-OH 3.26Å; L315-Y361 PolarHBondContact N-OH 2.83Å; L315-V366 HydrophobicContact CD1-CG2 3.95Å
316	Q	83	Confident	82.4	Confident	97 Å²	97	70.2 Å²	70.2	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-45.6	-178.6	-174.6	53.9	40.2	0	0	110.3	S312 V313 L314 K319 E320	S312-Q316 WeakPolarHBondContact O-CB 3.42Å; S312-Q316 PolarHBondContact O-N 3.35Å; S312-Q316 VanDerWaalsContact O-N 3.09Å; V313-Q316 PolarHBondContact O-N 3.17Å; L314-Q316 VanDerWaalsContact C-N 3.32Å; Q316-K319 PolarHBondContact O-N 2.82Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.47Å; Q316-E320 PolarHBondContact NE2-OE1 3.31Å; Q316-E320 WeakPolarHBondContact O-CB 3.27Å; Q316-E320 VanDerWaalsContact O-CG 3.29Å; Q316-E320 WeakPolarHBondContact O-CG 3.16Å; Q316-E320 PolarHBondContact O-N 3.05Å
317	R	81.6	Confident	82.5	Confident	98 Å²	98	75 Å²	75	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-42.9	177.5	-68.2	-58.6	-172.8	125.6	7.6	113.2	V313 L314 K319 E320 F321 L339	V313-R317 HydrophobicContact CG1-CG 4.43Å; V313-R317 VanDerWaalsContact O-CG 3.3Å; V313-R317 WeakPolarHBondContact O-CG 3.45Å; V313-R317 PolarHBondContact O-N 2.83Å; L314-R317 PolarHBondContact O-N 2.69Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.37Å; R317-E320 PolarHBondContact O-N 3Å; R317-F321 WeakPolarHBondContact O-CB 3.18Å; R317-F321 PolarHBondContact O-N 3.44Å; R317-L339 HydrophobicContact CB-CD2 3.52Å; R317-L339 HydrophobicContact CG-CD2 4.48Å
318	T	78	Confident	82.6	Confident	13 Å²	13	78 Å²	78	8%	0.08	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-43.1	177.4	-58.7	0	0	0	0	110.8	L314 L315 F321 L322 V335 Y361	L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.36Å; L314-T318 PolarHBondContact O-N 3.19Å; L314-T318 PolarHBondContact O-OG1 2.77Å; L315-T318 PolarHBondContact O-N 3.06Å; T318-F321 PolarHBondContact O-N 2.82Å; T318-L322 HydrophobicContact CG2-CD1 3.98Å; T318-L322 HydrophobicContact CG2-CG 4.37Å; T318-L322 WeakPolarHBondContact O-CB 3.5Å; T318-L322 VanDerWaalsContact O-CG 3.24Å; T318-L322 WeakPolarHBondContact O-CG 3.46Å; T318-L322 PolarHBondContact O-N 3.21Å; T318-V335 HydrophobicContact CG2-CG1 3.8Å; T318-Y361 HydrophobicContact CG2-CD1 3.67Å; T318-Y361 HydrophobicContact CG2-CE1 4.33Å; T318-Y361 HydrophobicContact CG2-CG 4.43Å; T318-Y361 WeakPolarHBondContact OG1-CD1 3.37Å
319	K	83	Confident	82.4	Confident	94 Å²	94	79.7 Å²	79.7	41%	0.409	40%	0.395	S	S	.	.	H	α-helix	trans	-59.9	-47.7	174.1	-74.6	174.3	178.1	-177.7	0	111.9	L315 Q316 R317 F321 L322 E323	L315-K319 HydrophobicContact CD2-CD 4.14Å; L315-K319 HydrophobicContact CG-CD 4.38Å; L315-K319 WeakPolarHBondContact O-CB 3.28Å; L315-K319 VanDerWaalsContact O-CG 3.26Å; L315-K319 WeakPolarHBondContact O-CG 3.46Å; L315-K319 PolarHBondContact O-N 2.81Å; Q316-K319 PolarHBondContact O-N 2.82Å; R317-K319 VanDerWaalsContact C-N 3.34Å; R317-K319 PolarHBondContact O-N 3.37Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.04Å; K319-L322 PolarHBondContact O-N 3.38Å; K319-E323 WeakPolarHBondContact O-CB 3.22Å; K319-E323 WeakPolarHBondContact O-CG 3.38Å; K319-E323 PolarHBondContact O-N 3.25Å
320	E	87.2	Confident	82	Confident	83 Å²	83	77.1 Å²	77.1	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-41.7	176.8	-74.4	168.2	-170.7	0	0	112.1	Q316 R317 E323 K324	Q316-E320 WeakPolarHBondContact CG-OE1 3.47Å; Q316-E320 PolarHBondContact NE2-OE1 3.31Å; Q316-E320 WeakPolarHBondContact O-CB 3.27Å; Q316-E320 VanDerWaalsContact O-CG 3.29Å; Q316-E320 WeakPolarHBondContact O-CG 3.16Å; Q316-E320 PolarHBondContact O-N 3.05Å; R317-E320 PolarHBondContact O-N 3Å; E320-E323 PolarHBondContact O-N 2.97Å; E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 3.44Å
321	F	83.4	Confident	81.8	Confident	15 Å²	15	78.7 Å²	78.7	7%	0.066	39%	0.394	C	S	.	.	H	α-helix	trans	-62.9	-47.2	176.5	-173.9	-88	0	0	0	111.7	R317 T318 K319 K324 H325 V330 M334 V335 D338	R317-F321 WeakPolarHBondContact O-CB 3.18Å; R317-F321 PolarHBondContact O-N 3.44Å; T318-F321 PolarHBondContact O-N 2.82Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.04Å; F321-K324 PolarHBondContact O-N 3.17Å; F321-H325 AromaticContact CD1-ND1 3.73Å; F321-H325 AromaticContact CD2-CE1 3.72Å; F321-H325 AromaticContact CD2-ND1 3.74Å; F321-H325 AromaticContact CE1-CE1 3.99Å; F321-H325 AromaticContact CE1-ND1 3.54Å; F321-H325 AromaticContact CE2-CE1 3.26Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.3Å; F321-H325 AromaticContact CE2-ND1 3.58Å; F321-H325 AromaticContact CG-ND1 3.83Å; F321-H325 AromaticContact CZ-CE1 3.42Å; F321-H325 VanDerWaalsContact CZ-CE1 3.42Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.44Å; F321-H325 AromaticContact CZ-ND1 3.47Å; F321-H325 WeakPolarHBondContact CZ-ND1 3.37Å; F321-H325 WeakPolarHBondContact O-CB 3.17Å; F321-H325 PolarHBondContact O-N 3.33Å; F321-H325 PolarHBondContact O-ND1 3.1Å; F321-V330 HydrophobicContact CD1-CG1 4.11Å; F321-V330 HydrophobicContact CE1-CG1 3.67Å; F321-V330 HydrophobicContact CE1-CG2 4.26Å; F321-M334 HydrophobicContact CE1-CB 4.14Å; F321-M334 HydrophobicContact CZ-CB 3.9Å; F321-M334 HydrophobicContact CZ-CE 4.34Å; F321-V335 HydrophobicContact CD1-CG2 3.74Å; F321-V335 HydrophobicContact CE1-CG2 3.91Å; F321-D338 HydrophobicContact CD2-CB 3.5Å; F321-D338 VanDerWaalsContact CD2-CB 3.5Å; F321-D338 HydrophobicContact CE2-CB 3.51Å; F321-D338 HydrophobicContact CG-CB 4.42Å; F321-D338 HydrophobicContact CZ-CB 4.46Å
322	L	83.3	Confident	81.3	Confident	80 Å²	80	78.2 Å²	78.2	42%	0.419	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-39.4	178.4	-69.7	172.1	0	0	0	112	T318 K319 H325 S326 V330	T318-L322 HydrophobicContact CG2-CD1 3.98Å; T318-L322 HydrophobicContact CG2-CG 4.37Å; T318-L322 WeakPolarHBondContact O-CB 3.5Å; T318-L322 VanDerWaalsContact O-CG 3.24Å; T318-L322 WeakPolarHBondContact O-CG 3.46Å; T318-L322 PolarHBondContact O-N 3.21Å; K319-L322 PolarHBondContact O-N 3.38Å; L322-H325 CarbonylContact O-C 3.59Å; L322-H325 PolarHBondContact O-N 3.33Å; L322-S326 WeakPolarHBondContact O-CA 3.44Å; L322-S326 PolarHBondContact O-N 3.04Å; L322-V330 HydrophobicContact CD2-CB 4.09Å; L322-V330 HydrophobicContact CD2-CG1 3.77Å; L322-V330 HydrophobicContact CD2-CG2 4.31Å
323	E	88.2	Confident	80.6	Confident	138 Å²	138	80.4 Å²	80.4	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-63.5	-45.7	175.1	-75.8	176.6	-174.8	0	0	111.6	K319 E320 H325 S326	K319-E323 WeakPolarHBondContact O-CB 3.22Å; K319-E323 WeakPolarHBondContact O-CG 3.38Å; K319-E323 PolarHBondContact O-N 3.25Å; E320-E323 PolarHBondContact O-N 2.97Å; E323-H325 VanDerWaalsContact C-N 3.25Å; E323-H325 PolarHBondContact O-N 3.24Å; E323-S326 VanDerWaalsContact O-CB 3.29Å; E323-S326 WeakPolarHBondContact O-CB 3.03Å; E323-S326 PolarHBondContact O-N 2.89Å; E323-S326 PolarHBondContact O-OG 3.07Å
324	K	88.9	Confident	80.4	Confident	168 Å²	168	80.1 Å²	80.1	73%	0.73	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-32.9	177.5	-175	-179.5	175.9	-171.6	0	112.6	E320 F321	E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 3.44Å; F321-K324 PolarHBondContact O-N 3.17Å
325	H	86.9	Confident	80.2	Confident	44 Å²	44	80.8 Å²	80.8	20%	0.204	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	19.6	-179.3	-64	96	0	0	0	113.2	F321 L322 E323 K327 T328 V330	F321-H325 AromaticContact CD1-ND1 3.73Å; F321-H325 AromaticContact CD2-CE1 3.72Å; F321-H325 AromaticContact CD2-ND1 3.74Å; F321-H325 AromaticContact CE1-CE1 3.99Å; F321-H325 AromaticContact CE1-ND1 3.54Å; F321-H325 AromaticContact CE2-CE1 3.26Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.3Å; F321-H325 AromaticContact CE2-ND1 3.58Å; F321-H325 AromaticContact CG-ND1 3.83Å; F321-H325 AromaticContact CZ-CE1 3.42Å; F321-H325 VanDerWaalsContact CZ-CE1 3.42Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.44Å; F321-H325 AromaticContact CZ-ND1 3.47Å; F321-H325 WeakPolarHBondContact CZ-ND1 3.37Å; F321-H325 WeakPolarHBondContact O-CB 3.17Å; F321-H325 PolarHBondContact O-N 3.33Å; F321-H325 PolarHBondContact O-ND1 3.1Å; L322-H325 CarbonylContact O-C 3.59Å; L322-H325 PolarHBondContact O-N 3.33Å; E323-H325 VanDerWaalsContact C-N 3.25Å; E323-H325 PolarHBondContact O-N 3.24Å; H325-K327 PolarHBondContact O-N 3.23Å; H325-T328 WeakPolarHBondContact CB-OG1 3.34Å; H325-T328 PolarHBondContact O-N 3Å; H325-T328 PolarHBondContact O-OG1 3.19Å; H325-V330 HydrophobicContact CB-CG2 3.33Å
326	S	82.2	Confident	79.7	Confident	82 Å²	82	79.4 Å²	79.4	57%	0.573	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.1	-177.5	52.8	0	0	0	0	115.6	L322 E323	L322-S326 WeakPolarHBondContact O-CA 3.44Å; L322-S326 PolarHBondContact O-N 3.04Å; E323-S326 VanDerWaalsContact O-CB 3.29Å; E323-S326 WeakPolarHBondContact O-CB 3.03Å; E323-S326 PolarHBondContact O-N 2.89Å; E323-S326 PolarHBondContact O-OG 3.07Å
327	K	85.7	Confident	79.3	Confident	199 Å²	199	81 Å²	81	87%	0.865	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	4.9	178.5	-65.1	-179	-179.8	176.9	0	113.7	H325	H325-K327 PolarHBondContact O-N 3.23Å
328	T	83.2	Confident	79.2	Confident	71 Å²	71	78.7 Å²	78.7	44%	0.436	39%	0.392	S	S	.	.	S	Bend	trans	-127	150.3	-179.1	46.8	0	0	0	0	109.1	H325 V330	H325-T328 WeakPolarHBondContact CB-OG1 3.34Å; H325-T328 PolarHBondContact O-N 3Å; H325-T328 PolarHBondContact O-OG1 3.19Å; T328-V330 PolarHBondContact O-N 3.3Å
329	E	80.9	Confident	79	Confident	125 Å²	125	78.1 Å²	78.1	58%	0.584	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.3	118.1	167.8	-169.4	177	178.6	0	0	108.2	L378	E329-L378 WeakPolarHBondContact OE2-CD1 3.38Å
330	V	74.9	Confident	78.3	Confident	39 Å²	39	78.9 Å²	78.9	24%	0.236	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-99.4	119.7	177.4	172.7	0	0	0	0	107.9	F321 L322 H325 T328 V335	F321-V330 HydrophobicContact CD1-CG1 4.11Å; F321-V330 HydrophobicContact CE1-CG1 3.67Å; F321-V330 HydrophobicContact CE1-CG2 4.26Å; L322-V330 HydrophobicContact CD2-CB 4.09Å; L322-V330 HydrophobicContact CD2-CG1 3.77Å; L322-V330 HydrophobicContact CD2-CG2 4.31Å; H325-V330 HydrophobicContact CB-CG2 3.33Å; T328-V330 PolarHBondContact O-N 3.3Å; V330-V335 HydrophobicContact CG1-CG2 3.56Å
331	T	74.1	Confident	77.8	Confident	55 Å²	55	80.3 Å²	80.3	34%	0.337	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-90.4	159.2	170.5	85	0	0	0	0	110.5	E333 M334 V335	T331-E333 WeakPolarHBondContact CB-OE2 3.4Å; T331-E333 PolarHBondContact O-N 3.29Å; T331-E333 PolarHBondContact OG1-N 3.01Å; T331-E333 PolarHBondContact OG1-OE2 2.97Å; T331-M334 HydrophobicContact CG2-SD 4.29Å; T331-M334 WeakPolarHBondContact O-CB 3.47Å; T331-M334 PolarHBondContact O-N 2.9Å; T331-M334 PolarHBondContact OG1-N 3.41Å; T331-V335 PolarHBondContact O-N 2.8Å
332	T	65.5	Low	77.2	Confident	50 Å²	50	81.4 Å²	81.4	31%	0.307	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-41	174.5	-55.4	0	0	0	0	111.4	M334 V335 V336 R362	T332-M334 PolarHBondContact O-N 2.97Å; T332-V335 PolarHBondContact O-N 2.98Å; T332-V335 VanDerWaalsContact O-N 3.11Å; T332-V336 HydrophobicContact CG2-CG2 4.13Å; T332-V336 VanDerWaalsContact O-CG2 3.3Å; T332-V336 WeakPolarHBondContact O-CG2 3.4Å; T332-V336 PolarHBondContact O-N 2.83Å; T332-R362 HydrophobicContact CG2-CB 3.86Å; T332-R362 HydrophobicContact CG2-CG 3.56Å
333	E	66.9	Low	76.4	Confident	119 Å²	119	79 Å²	79	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-59.5	-38.2	-178.3	-61.8	71.6	-154.6	0	0	111.5	T331 V336 E337	T331-E333 WeakPolarHBondContact CB-OE2 3.4Å; T331-E333 PolarHBondContact O-N 3.29Å; T331-E333 PolarHBondContact OG1-N 3.01Å; T331-E333 PolarHBondContact OG1-OE2 2.97Å; E333-V336 PolarHBondContact O-N 3.2Å; E333-E337 WeakPolarHBondContact O-CB 3.39Å; E333-E337 PolarHBondContact O-N 3.08Å
334	M	76	Confident	74.6	Confident	66 Å²	66	74 Å²	74	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.7	-63.2	171.8	62.3	0	0	112	F321 T331 T332 D338	F321-M334 HydrophobicContact CE1-CB 4.14Å; F321-M334 HydrophobicContact CZ-CB 3.9Å; F321-M334 HydrophobicContact CZ-CE 4.34Å; T331-M334 HydrophobicContact CG2-SD 4.29Å; T331-M334 WeakPolarHBondContact O-CB 3.47Å; T331-M334 PolarHBondContact O-N 2.9Å; T331-M334 PolarHBondContact OG1-N 3.41Å; T332-M334 PolarHBondContact O-N 2.97Å; M334-D338 PolarHBondContact O-N 3.36Å; M334-D338 VanDerWaalsContact O-N 3.12Å
335	V	72.7	Confident	72.4	Confident	14 Å²	14	71.3 Å²	71.3	9%	0.085	39%	0.394	C	S	.	.	H	α-helix	trans	-65	-44.2	176.7	-179.8	0	0	0	0	110.1	T318 F321 V330 T331 T332 D338 L339	T318-V335 HydrophobicContact CG2-CG1 3.8Å; F321-V335 HydrophobicContact CD1-CG2 3.74Å; F321-V335 HydrophobicContact CE1-CG2 3.91Å; V330-V335 HydrophobicContact CG1-CG2 3.56Å; T331-V335 PolarHBondContact O-N 2.8Å; T332-V335 PolarHBondContact O-N 2.98Å; T332-V335 VanDerWaalsContact O-N 3.11Å; V335-D338 PolarHBondContact O-N 3.42Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 HydrophobicContact CG1-CG 4.23Å; V335-L339 VanDerWaalsContact O-CG 3.31Å; V335-L339 WeakPolarHBondContact O-CG 3.3Å; V335-L339 PolarHBondContact O-N 2.83Å
336	V	68.5	Low	70.2	Confident	18 Å²	18	72.3 Å²	72.3	11%	0.109	40%	0.4	C	S	.	.	H	α-helix	trans	-60.6	-47.2	179.2	169.3	0	0	0	0	111.3	T332 E333 D338 L339 Q340 V358	T332-V336 HydrophobicContact CG2-CG2 4.13Å; T332-V336 VanDerWaalsContact O-CG2 3.3Å; T332-V336 WeakPolarHBondContact O-CG2 3.4Å; T332-V336 PolarHBondContact O-N 2.83Å; E333-V336 PolarHBondContact O-N 3.2Å; V336-D338 VanDerWaalsContact C-N 3.31Å; V336-D338 PolarHBondContact O-N 2.99Å; V336-L339 PolarHBondContact O-N 3.28Å; V336-Q340 HydrophobicContact CG1-CG 4.32Å; V336-Q340 WeakPolarHBondContact O-CB 3.16Å; V336-Q340 VanDerWaalsContact O-CG 3.27Å; V336-Q340 WeakPolarHBondContact O-CG 3.3Å; V336-Q340 PolarHBondContact O-N 3.38Å; V336-V358 HydrophobicContact CB-CG1 4.03Å; V336-V358 HydrophobicContact CG1-CG1 3.77Å; V336-V358 HydrophobicContact CG2-CG1 3.66Å
337	E	74.1	Confident	67.8	Low	131 Å²	131	71.5 Å²	71.5	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-61	-40.2	178	-172.2	177.3	-174.6	0	0	111.6	E333 T341	E333-E337 WeakPolarHBondContact O-CB 3.39Å; E333-E337 PolarHBondContact O-N 3.08Å; E337-T341 WeakPolarHBondContact O-CB 3.46Å; E337-T341 PolarHBondContact O-N 2.93Å; E337-T341 PolarHBondContact O-OG1 3.21Å
338	D	79.9	Confident	65.4	Low	49 Å²	49	67.6 Å²	67.6	26%	0.262	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-45.8	175.1	-175.8	83.9	0	0	0	112.2	F321 M334 V335 V336 T341 S342	F321-D338 HydrophobicContact CD2-CB 3.5Å; F321-D338 VanDerWaalsContact CD2-CB 3.5Å; F321-D338 HydrophobicContact CE2-CB 3.51Å; F321-D338 HydrophobicContact CG-CB 4.42Å; F321-D338 HydrophobicContact CZ-CB 4.46Å; M334-D338 PolarHBondContact O-N 3.36Å; M334-D338 VanDerWaalsContact O-N 3.12Å; V335-D338 PolarHBondContact O-N 3.42Å; V336-D338 VanDerWaalsContact C-N 3.31Å; V336-D338 PolarHBondContact O-N 2.99Å; D338-T341 PolarHBondContact O-N 3.17Å; D338-S342 WeakPolarHBondContact O-CB 3.3Å; D338-S342 PolarHBondContact O-N 3.08Å; D338-S342 PolarHBondContact O-OG 3.42Å
339	L	73.1	Confident	63.1	Low	0 Å²	0	68.5 Å²	68.5	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-63.7	-43.4	177.9	-68	179.7	0	0	0	111.6	L314 R317 V335 V336 T341 S342 V343 V358 Y361	L314-L339 HydrophobicContact CD2-CB 4.47Å; L314-L339 HydrophobicContact CD2-CD1 4.15Å; L314-L339 HydrophobicContact CD2-CD2 4.11Å; L314-L339 HydrophobicContact CD2-CG 4.47Å; R317-L339 HydrophobicContact CB-CD2 3.52Å; R317-L339 HydrophobicContact CG-CD2 4.48Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 HydrophobicContact CG1-CG 4.23Å; V335-L339 VanDerWaalsContact O-CG 3.31Å; V335-L339 WeakPolarHBondContact O-CG 3.3Å; V335-L339 PolarHBondContact O-N 2.83Å; V336-L339 PolarHBondContact O-N 3.28Å; L339-T341 VanDerWaalsContact C-N 3.28Å; L339-T341 PolarHBondContact O-N 3Å; L339-S342 PolarHBondContact O-N 2.93Å; L339-V343 VanDerWaalsContact O-CB 3.32Å; L339-V343 WeakPolarHBondContact O-CB 3.46Å; L339-V343 WeakPolarHBondContact O-CG2 3.46Å; L339-V343 PolarHBondContact O-N 3.48Å; L339-V358 HydrophobicContact CB-CG2 3.85Å; L339-V358 HydrophobicContact CD1-CB 4.49Å; L339-V358 HydrophobicContact CD1-CG1 4.46Å; L339-V358 HydrophobicContact CD1-CG2 3.93Å; L339-Y361 HydrophobicContact CD1-CD2 4.38Å; L339-Y361 HydrophobicContact CD1-CG 4.45Å
340	Q	69.6	Low	60.8	Low	111 Å²	111	65.5 Å²	65.5	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-39.1	175.9	-75.5	177.4	-8.7	0	0	111.9	V336	V336-Q340 HydrophobicContact CG1-CG 4.32Å; V336-Q340 WeakPolarHBondContact O-CB 3.16Å; V336-Q340 VanDerWaalsContact O-CG 3.27Å; V336-Q340 WeakPolarHBondContact O-CG 3.3Å; V336-Q340 PolarHBondContact O-N 3.38Å
341	T	76.1	Confident	59.1	Low	113 Å²	113	67.4 Å²	67.4	69%	0.693	40%	0.396	S	S	*	.	H	α-helix	trans	-75.1	-38.3	179	-55	0	0	0	0	112.1	E337 D338 L339	E337-T341 WeakPolarHBondContact O-CB 3.46Å; E337-T341 PolarHBondContact O-N 2.93Å; E337-T341 PolarHBondContact O-OG1 3.21Å; D338-T341 PolarHBondContact O-N 3.17Å; L339-T341 VanDerWaalsContact C-N 3.28Å; L339-T341 PolarHBondContact O-N 3Å
342	S	70.8	Confident	57.5	Low	38 Å²	38	67.2 Å²	67.2	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-93.1	-28.5	-168	67	0	0	0	0	114.9	D338 L339	D338-S342 WeakPolarHBondContact O-CB 3.3Å; D338-S342 PolarHBondContact O-N 3.08Å; D338-S342 PolarHBondContact O-OG 3.42Å; L339-S342 PolarHBondContact O-N 2.93Å
343	V	65.7	Low	56.2	Low	29 Å²	29	65.8 Å²	65.8	18%	0.176	38%	0.38	C	S	.	.	H	α-helix	trans	-90.3	-17.4	176.4	-176.7	0	0	0	0	111.2	L310 L314 L339 L346	L310-V343 HydrophobicContact CD1-CG1 4.25Å; L314-V343 HydrophobicContact CD2-CG2 3.87Å; L339-V343 VanDerWaalsContact O-CB 3.32Å; L339-V343 WeakPolarHBondContact O-CB 3.46Å; L339-V343 WeakPolarHBondContact O-CG2 3.46Å; L339-V343 PolarHBondContact O-N 3.48Å; V343-L346 HydrophobicContact CG1-CD1 3.76Å
344	G	50.8	Low	54.7	Low	34 Å²	34	60.7 Å²	60.7	35%	0.351	36%	0.357	S	S	.	.			trans	72.6	167.9	177.6	0	0	0	0	0	113.4	L346	G344-L346 PolarHBondContact O-N 3.46Å
345	S	43	Very low	53	Low	111 Å²	111	60.5 Å²	60.5	78%	0.776	36%	0.358	S	S	*	.			trans	-70.3	85.2	166.9	62.7	0	0	0	0	108.6
346	L	41	Very low	51.6	Low	64 Å²	64	60.4 Å²	60.4	34%	0.335	36%	0.356	S	S	.	.			trans	-52.1	142.7	163.1	-73.8	159.3	0	0	0	108.1	L310 V343 G344 E350 N351	L310-L346 HydrophobicContact CD1-CD1 3.9Å; V343-L346 HydrophobicContact CG1-CD1 3.76Å; G344-L346 PolarHBondContact O-N 3.46Å; L346-E350 HydrophobicContact CB-CB 4.23Å; L346-N351 PolarHBondContact O-OD1 3.33Å
347	S	31.1	Very low	50.3	Low	65 Å²	65	59.6 Å²	59.6	46%	0.455	35%	0.351	S	S	.	.			trans	-54.1	155.9	-156	72.9	0	0	0	0	113.6	S349 E350	S347-S349 PolarHBondContact O-N 2.99Å; S347-E350 WeakPolarHBondContact CB-OE2 3.46Å; S347-E350 PolarHBondContact N-OE2 2.87Å; S347-E350 WeakPolarHBondContact O-CB 3.13Å; S347-E350 PolarHBondContact O-N 3.5Å; S347-E350 VanDerWaalsContact OG-CD 3.26Å; S347-E350 PolarHBondContact OG-OE2 3.28Å
348	S	36.5	Very low	48.6	Very low	118 Å²	118	53.5 Å²	53.5	83%	0.825	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-7.9	-161.3	48.2	0	0	0	0	119.7
349	S	33.2	Very low	46.8	Very low	90 Å²	90	53.6 Å²	53.6	63%	0.629	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-11.6	171.3	48.2	0	0	0	0	114.4	S347 W352	S347-S349 PolarHBondContact O-N 2.99Å; S349-W352 VanDerWaalsContact O-CD1 3.31Å
350	E	34.1	Very low	45.1	Very low	62 Å²	62	54.7 Å²	54.7	29%	0.29	33%	0.326	S	S	.	.			trans	-100.6	-1.5	-172.6	-60.3	166.5	152.2	0	0	112.9	L346 S347 W352 L353 C354	L346-E350 HydrophobicContact CB-CB 4.23Å; S347-E350 WeakPolarHBondContact CB-OE2 3.46Å; S347-E350 PolarHBondContact N-OE2 2.87Å; S347-E350 WeakPolarHBondContact O-CB 3.13Å; S347-E350 PolarHBondContact O-N 3.5Å; S347-E350 VanDerWaalsContact OG-CD 3.26Å; S347-E350 PolarHBondContact OG-OE2 3.28Å; E350-W352 PolarHBondContact O-N 3.14Å; E350-W352 VanDerWaalsContact O-N 3.14Å; E350-L353 WeakPolarHBondContact O-CB 3.5Å; E350-L353 PolarHBondContact O-N 3.29Å; E350-C354 PolarHBondContact O-N 3.18Å
351	N	38.5	Very low	43.5	Very low	78 Å²	78	51 Å²	51	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-29.6	180	-84.8	-24.2	0	0	0	113.5	L346 N355	L346-N351 PolarHBondContact O-OD1 3.33Å; N351-N355 WeakPolarHBondContact O-CB 3.46Å; N351-N355 VanDerWaalsContact O-CG 3.27Å; N351-N355 PolarHBondContact O-N 3.06Å; N351-N355 PolarHBondContact O-ND2 3.2Å
352	W	40.4	Very low	41.7	Very low	51 Å²	51	50.5 Å²	50.5	19%	0.193	29%	0.293	C	S	.	.	H	α-helix	trans	-72.9	-34.1	177.5	75.1	-91	0	0	0	112	N258 R259 S349 E350 K356	N258-W352 HydrophobicContact CB-CD2 3.8Å; N258-W352 HydrophobicContact CB-CE3 4.19Å; N258-W352 HydrophobicContact CB-CH2 3.71Å; N258-W352 HydrophobicContact CB-CZ2 3.26Å; N258-W352 HydrophobicContact CB-CZ3 4.18Å; N258-W352 VanDerWaalsContact ND2-CD1 3.27Å; N258-W352 PolarHBondContact ND2-NE1 3.33Å; N258-W352 VanDerWaalsContact ND2-NE1 3.17Å; N258-W352 PolarHBondContact OD1-NE1 3.5Å; R259-W352 HydrophobicContact CG-CZ3 4.25Å; S349-W352 VanDerWaalsContact O-CD1 3.31Å; E350-W352 PolarHBondContact O-N 3.14Å; E350-W352 VanDerWaalsContact O-N 3.14Å; W352-K356 HydrophobicContact CE3-CB 4.38Å; W352-K356 HydrophobicContact CZ3-CD 4.18Å; W352-K356 WeakPolarHBondContact O-CB 3.36Å; W352-K356 PolarHBondContact O-N 3.23Å
353	L	37.9	Very low	40	Very low	20 Å²	20	52.7 Å²	52.7	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-52.9	176.8	-83.4	157.3	0	0	0	109.2	D307 L310 E350 N355 K356 H357	D307-L353 HydrophobicContact CB-CD2 4.21Å; D307-L353 WeakPolarHBondContact OD1-CD2 3.4Å; L310-L353 HydrophobicContact CD2-CB 3.69Å; E350-L353 WeakPolarHBondContact O-CB 3.5Å; E350-L353 PolarHBondContact O-N 3.29Å; L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.44Å; L353-K356 WeakPolarHBondContact O-CB 3.34Å; L353-K356 PolarHBondContact O-N 2.76Å; L353-H357 WeakPolarHBondContact O-CB 3.38Å; L353-H357 PolarHBondContact O-CD2 2.9Å; L353-H357 VanDerWaalsContact O-CD2 3.24Å; L353-H357 PolarHBondContact O-N 3.42Å
354	C	36.9	Very low	38.3	Very low	12 Å²	12	52.9 Å²	52.9	8%	0.081	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-44.1	179.5	-152.2	0	0	0	0	111.3	E350 H357 V358	E350-C354 PolarHBondContact O-N 3.18Å; C354-H357 PolarHBondContact O-N 3.13Å; C354-V358 VanDerWaalsContact O-CB 3.29Å; C354-V358 WeakPolarHBondContact O-CB 3.41Å; C354-V358 WeakPolarHBondContact O-CG2 3.42Å; C354-V358 PolarHBondContact O-N 3.22Å
355	N	39.5	Very low	37.3	Very low	62 Å²	62	54.8 Å²	54.8	33%	0.332	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-55.4	173.2	-85.8	-17	0	0	0	111.7	N351 L353 H357 V358 Y359	N351-N355 WeakPolarHBondContact O-CB 3.46Å; N351-N355 VanDerWaalsContact O-CG 3.27Å; N351-N355 PolarHBondContact O-N 3.06Å; N351-N355 PolarHBondContact O-ND2 3.2Å; L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.44Å; N355-H357 PolarHBondContact O-N 3.06Å; N355-V358 CarbonylContact O-C 3.52Å; N355-V358 PolarHBondContact O-N 2.9Å; N355-Y359 HydrophobicContact CB-CD2 4.15Å; N355-Y359 HydrophobicContact CB-CE2 3.42Å; N355-Y359 VanDerWaalsContact CB-CE2 3.42Å; N355-Y359 WeakPolarHBondContact O-CB 3.47Å; N355-Y359 WeakPolarHBondContact O-CD2 3.49Å; N355-Y359 WeakPolarHBondContact O-CE2 3.45Å; N355-Y359 PolarHBondContact O-N 3.17Å
356	K	42.6	Very low	36.5	Very low	13 Å²	13	52.9 Å²	52.9	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-48.9	-46.8	176.3	-175.7	-141	-178.4	-142.8	0	112.1	E272 W352 L353 Y359 I360	E272-K356 VanDerWaalsContact CD-NZ 3.33Å; E272-K356 WeakPolarHBondContact OE1-CE 3.37Å; E272-K356 IonicContact OE1-NZ 3.75Å; E272-K356 PolarHBondContact OE1-NZ 2.69Å; E272-K356 WeakPolarHBondContact OE2-CE 3.23Å; E272-K356 IonicContact OE2-NZ 3.99Å; W352-K356 HydrophobicContact CE3-CB 4.38Å; W352-K356 HydrophobicContact CZ3-CD 4.18Å; W352-K356 WeakPolarHBondContact O-CB 3.36Å; W352-K356 PolarHBondContact O-N 3.23Å; L353-K356 WeakPolarHBondContact O-CB 3.34Å; L353-K356 PolarHBondContact O-N 2.76Å; K356-Y359 CarbonylContact O-C 3.4Å; K356-Y359 WeakPolarHBondContact O-CA 3.47Å; K356-Y359 WeakPolarHBondContact O-CB 3.32Å; K356-Y359 PolarHBondContact O-N 3.44Å; K356-I360 HydrophobicContact CD-CD1 3.96Å; K356-I360 HydrophobicContact CG-CD1 4.08Å; K356-I360 WeakPolarHBondContact O-CG1 3.48Å; K356-I360 PolarHBondContact O-N 2.7Å
357	H	40.6	Very low	35.7	Very low	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-46.1	-176	-102	-44.2	0	0	0	112.6	D307 L310 E311 L314 L353 C354 N355 Y359 I360 Y361	D307-H357 PolarHBondContact O-CE1 3.31Å; D307-H357 PolarHBondContact O-NE2 3.29Å; D307-H357 VanDerWaalsContact O-NE2 3.15Å; D307-H357 IonicContact OD1-CD2 3.73Å; D307-H357 IonicContact OD1-CE1 3.71Å; D307-H357 IonicContact OD1-NE2 2.82Å; D307-H357 PolarHBondContact OD1-NE2 3.1Å; L310-H357 WeakPolarHBondContact CD2-CD2 3.45Å; L310-H357 VanDerWaalsContact CG-CD2 3.47Å; L310-H357 WeakPolarHBondContact CG-CD2 3.42Å; E311-H357 VanDerWaalsContact CA-CE1 3.43Å; E311-H357 WeakPolarHBondContact CA-CE1 3.1Å; E311-H357 WeakPolarHBondContact CA-ND1 3.39Å; E311-H357 WeakPolarHBondContact CB-CE1 3.38Å; E311-H357 IonicContact OE2-CE1 3.11Å; L314-H357 HydrophobicContact CD1-CB 3.1Å; L314-H357 HydrophobicContact CG-CB 4.47Å; L353-H357 WeakPolarHBondContact O-CB 3.38Å; L353-H357 PolarHBondContact O-CD2 2.9Å; L353-H357 VanDerWaalsContact O-CD2 3.24Å; L353-H357 PolarHBondContact O-N 3.42Å; C354-H357 PolarHBondContact O-N 3.13Å; N355-H357 PolarHBondContact O-N 3.06Å; H357-Y359 PolarHBondContact O-N 3.17Å; H357-I360 PolarHBondContact O-N 3.45Å; H357-I360 VanDerWaalsContact O-N 3.14Å; H357-Y361 WeakPolarHBondContact O-CD2 3.32Å; H357-Y361 PolarHBondContact O-N 3.26Å
358	V	40.2	Very low	35.3	Very low	4 Å²	4	56.6 Å²	56.6	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-57.1	-33.3	168.3	171.6	0	0	0	0	110.8	L314 V336 L339 C354 N355	L314-V358 HydrophobicContact CD2-CG2 4.11Å; V336-V358 HydrophobicContact CB-CG1 4.03Å; V336-V358 HydrophobicContact CG1-CG1 3.77Å; V336-V358 HydrophobicContact CG2-CG1 3.66Å; L339-V358 HydrophobicContact CB-CG2 3.85Å; L339-V358 HydrophobicContact CD1-CB 4.49Å; L339-V358 HydrophobicContact CD1-CG1 4.46Å; L339-V358 HydrophobicContact CD1-CG2 3.93Å; C354-V358 VanDerWaalsContact O-CB 3.29Å; C354-V358 WeakPolarHBondContact O-CB 3.41Å; C354-V358 WeakPolarHBondContact O-CG2 3.42Å; C354-V358 PolarHBondContact O-N 3.22Å; N355-V358 CarbonylContact O-C 3.52Å; N355-V358 PolarHBondContact O-N 2.9Å
359	Y	40.8	Very low	34.7	Very low	50 Å²	50	56.2 Å²	56.2	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-73.9	-36.6	174.3	-56.5	-44.5	0	0	0	113.6	M276 Y279 N355 K356 H357 Y361 R362	M276-Y359 HydrophobicContact CE-CD2 3.27Å; M276-Y359 HydrophobicContact CE-CE2 3.55Å; M276-Y359 HydrophobicContact CE-CG 4.34Å; M276-Y359 HydrophobicContact SD-CD2 3.53Å; M276-Y359 VanDerWaalsContact SD-CD2 3.53Å; M276-Y359 HydrophobicContact SD-CE2 3.53Å; M276-Y359 VanDerWaalsContact SD-CE2 3.53Å; M276-Y359 HydrophobicContact SD-CG 4.32Å; Y279-Y359 HydrophobicContact CD1-CD1 4.01Å; Y279-Y359 AromaticContact CD1-CE1 3.95Å; Y279-Y359 HydrophobicContact CD1-CE1 3.95Å; Y279-Y359 AromaticContact CD2-CD1 3.5Å; Y279-Y359 HydrophobicContact CD2-CD1 3.5Å; Y279-Y359 VanDerWaalsContact CD2-CD1 3.5Å; Y279-Y359 HydrophobicContact CD2-CE1 4.14Å; Y279-Y359 HydrophobicContact CD2-CG 4.25Å; Y279-Y359 AromaticContact CE1-CD1 3.85Å; Y279-Y359 HydrophobicContact CE1-CD1 3.85Å; Y279-Y359 AromaticContact CE1-CE1 3.45Å; Y279-Y359 HydrophobicContact CE1-CE1 3.45Å; Y279-Y359 VanDerWaalsContact CE1-CE1 3.45Å; Y279-Y359 AromaticContact CE2-CD1 3.39Å; Y279-Y359 HydrophobicContact CE2-CD1 3.39Å; Y279-Y359 AromaticContact CE2-CE1 3.74Å; Y279-Y359 HydrophobicContact CE2-CE1 3.74Å; Y279-Y359 AromaticContact CG-CD1 3.93Å; Y279-Y359 HydrophobicContact CG-CD1 3.93Å; Y279-Y359 HydrophobicContact CG-CE1 4.35Å; Y279-Y359 AromaticContact CZ-CD1 3.6Å; Y279-Y359 AromaticContact CZ-CE1 3.38Å; N355-Y359 HydrophobicContact CB-CD2 4.15Å; N355-Y359 HydrophobicContact CB-CE2 3.42Å; N355-Y359 VanDerWaalsContact CB-CE2 3.42Å; N355-Y359 WeakPolarHBondContact O-CB 3.47Å; N355-Y359 WeakPolarHBondContact O-CD2 3.49Å; N355-Y359 WeakPolarHBondContact O-CE2 3.45Å; N355-Y359 PolarHBondContact O-N 3.17Å; K356-Y359 CarbonylContact O-C 3.4Å; K356-Y359 WeakPolarHBondContact O-CA 3.47Å; K356-Y359 WeakPolarHBondContact O-CB 3.32Å; K356-Y359 PolarHBondContact O-N 3.44Å; H357-Y359 PolarHBondContact O-N 3.17Å; Y359-Y361 VanDerWaalsContact C-N 3.27Å; Y359-Y361 PolarHBondContact O-N 3.18Å; Y359-R362 VanDerWaalsContact O-CB 3.24Å; Y359-R362 WeakPolarHBondContact O-CB 3.42Å; Y359-R362 PolarHBondContact O-N 3.03Å
360	I	38.1	Very low	34.3	Very low	24 Å²	24	59.3 Å²	59.3	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-31.7	173.3	-72.9	170.8	0	0	0	110.8	K356 H357 R362 E363 G364 C365	K356-I360 HydrophobicContact CD-CD1 3.96Å; K356-I360 HydrophobicContact CG-CD1 4.08Å; K356-I360 WeakPolarHBondContact O-CG1 3.48Å; K356-I360 PolarHBondContact O-N 2.7Å; H357-I360 PolarHBondContact O-N 3.45Å; H357-I360 VanDerWaalsContact O-N 3.14Å; I360-R362 PolarHBondContact O-N 3.02Å; I360-E363 PolarHBondContact O-N 3.33Å; I360-G364 PolarHBondContact O-N 2.84Å; I360-G364 VanDerWaalsContact O-N 3.15Å; I360-C365 HydrophobicContact CG2-CB 3.64Å
361	Y	36.2	Very low	33.7	Very low	34 Å²	34	65.6 Å²	65.6	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-23.3	170.6	-84.6	-71	0	0	0	113.8	E311 L314 L315 T318 L339 H357 Y359	E311-Y361 PolarHBondContact O-OH 3.05Å; L314-Y361 VanDerWaalsContact C-CZ 3.41Å; L314-Y361 HydrophobicContact CB-CD2 3.67Å; L314-Y361 HydrophobicContact CB-CE2 3.17Å; L314-Y361 HydrophobicContact CD1-CE2 4.32Å; L314-Y361 HydrophobicContact CG-CE2 4.39Å; L315-Y361 VanDerWaalsContact CA-CE1 3.44Å; L315-Y361 WeakPolarHBondContact CA-OH 3.18Å; L315-Y361 HydrophobicContact CB-CE1 4.19Å; L315-Y361 WeakPolarHBondContact CB-OH 3.25Å; L315-Y361 HydrophobicContact CD1-CE1 4.09Å; L315-Y361 WeakPolarHBondContact CD1-OH 3.41Å; L315-Y361 HydrophobicContact CG-CE1 4.32Å; L315-Y361 WeakPolarHBondContact CG-OH 3.26Å; L315-Y361 PolarHBondContact N-OH 2.83Å; T318-Y361 HydrophobicContact CG2-CD1 3.67Å; T318-Y361 HydrophobicContact CG2-CE1 4.33Å; T318-Y361 HydrophobicContact CG2-CG 4.43Å; T318-Y361 WeakPolarHBondContact OG1-CD1 3.37Å; L339-Y361 HydrophobicContact CD1-CD2 4.38Å; L339-Y361 HydrophobicContact CD1-CG 4.45Å; H357-Y361 WeakPolarHBondContact O-CD2 3.32Å; H357-Y361 PolarHBondContact O-N 3.26Å; Y359-Y361 VanDerWaalsContact C-N 3.27Å; Y359-Y361 PolarHBondContact O-N 3.18Å
362	R	36.9	Very low	32.9	Very low	101 Å²	101	67.8 Å²	67.8	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-69.2	-35.7	175.4	-177	175.6	-165.3	-166.6	-4.3	113.2	Y279 T332 Y359 I360	Y279-R362 VanDerWaalsContact CA-NH1 3.31Å; Y279-R362 HydrophobicContact CD2-CG 4.47Å; Y279-R362 VanDerWaalsContact CE2-CD 3.48Å; Y279-R362 PolarHBondContact O-NH1 3.29Å; T332-R362 HydrophobicContact CG2-CB 3.86Å; T332-R362 HydrophobicContact CG2-CG 3.56Å; Y359-R362 VanDerWaalsContact O-CB 3.24Å; Y359-R362 WeakPolarHBondContact O-CB 3.42Å; Y359-R362 PolarHBondContact O-N 3.03Å; I360-R362 PolarHBondContact O-N 3.02Å
363	E	35.4	Very low	32	Very low	84 Å²	84	72.6 Å²	72.6	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-102.9	-4.2	-176.5	-75.8	-104.6	143.9	0	0	113.9	L278 I360	L278-E363 VanDerWaalsContact CD2-OE1 3.28Å; L278-E363 WeakPolarHBondContact CD2-OE1 3.08Å; I360-E363 PolarHBondContact O-N 3.33Å
364	G	30.1	Very low	31.3	Very low	34 Å²	34	79.2 Å²	79.2	35%	0.351	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	59.7	173.1	0	0	0	0	0	113.6	I360 V366 V367	I360-G364 PolarHBondContact O-N 2.84Å; I360-G364 VanDerWaalsContact O-N 3.15Å; G364-V366 CarbonylContact O-C 3.54Å; G364-V366 WeakPolarHBondContact O-CA 3.07Å; G364-V366 PolarHBondContact O-N 2.76Å; G364-V367 PolarHBondContact O-N 3.01Å
365	C	29.9	Very low	30.5	Very low	74 Å²	74	82.1 Å²	82.1	50%	0.5	44%	0.441	S	S	.	.			trans	-69.4	26.9	147.5	-74.4	0	0	0	0	112.8	I360 V367	I360-C365 HydrophobicContact CG2-CB 3.64Å; C365-V367 PolarHBondContact O-N 3.5Å
366	V	25.9	Very low	29.6	Very low	71 Å²	71	86.3 Å²	86.3	43%	0.43	46%	0.461	S	S	.	.				-69.6	75	122.2	-174.5	0	0	0	0	108.1	L315 G364 M368	L315-V366 HydrophobicContact CD1-CG2 3.95Å; G364-V366 CarbonylContact O-C 3.54Å; G364-V366 WeakPolarHBondContact O-CA 3.07Å; G364-V366 PolarHBondContact O-N 2.76Å; V366-M368 HydrophobicContact CG1-CB 3.92Å; V366-M368 HydrophobicContact CG1-CG 3.62Å; V366-M368 PolarHBondContact O-N 3.38Å
367	V	26	Very low	28.6	Very low	99 Å²	99	90.9 Å²	90.9	60%	0.6	49%	0.485	S	S	*	.			trans	-68.6	73.7	147.6	-176.2	0	0	0	0	105.5	G364 C365 T369	G364-V367 PolarHBondContact O-N 3.01Å; C365-V367 PolarHBondContact O-N 3.5Å; V367-T369 HydrophobicContact CG1-CG2 3.33Å; V367-T369 PolarHBondContact O-N 3.28Å; V367-T369 VanDerWaalsContact O-N 3.15Å
368	M	21.5	Very low	28	Very low	107 Å²	107	100.3 Å²	100.3	53%	0.527	53%	0.534	S	S	.	.			trans	-75.8	79	140.5	-76.7	-145	-59.2	0	0	105.3	V366 N370 W371	V366-M368 HydrophobicContact CG1-CB 3.92Å; V366-M368 HydrophobicContact CG1-CG 3.62Å; V366-M368 PolarHBondContact O-N 3.38Å; M368-N370 PolarHBondContact O-N 3.35Å; M368-W371 HydrophobicContact CB-CB 4.33Å; M368-W371 HydrophobicContact CE-CB 3.59Å; M368-W371 WeakPolarHBondContact CE-O 3.19Å; M368-W371 HydrophobicContact SD-CB 3.8Å; M368-W371 HydrophobicContact SD-CG 4.41Å
369	T	23.5	Very low	27.4	Very low	110 Å²	110	105.2 Å²	105.2	68%	0.675	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.4	114.4	152.7	29.4	0	0	0	0	106.4	V367	V367-T369 HydrophobicContact CG1-CG2 3.33Å; V367-T369 PolarHBondContact O-N 3.28Å; V367-T369 VanDerWaalsContact O-N 3.15Å
370	N	25	Very low	26.6	Very low	155 Å²	155	108.1 Å²	108.1	83%	0.829	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.9	28.4	173.8	-68.9	-21.5	0	0	0	120.6	M368	M368-N370 PolarHBondContact O-N 3.35Å
371	W	21.3	Very low	26	Very low	194 Å²	194	112.7 Å²	112.7	74%	0.735	60%	0.604	S	S	*	*			trans	-131.6	100.3	161.1	-68	80.9	0	0	0	111.8	M368 I373	M368-W371 HydrophobicContact CB-CB 4.33Å; M368-W371 HydrophobicContact CE-CB 3.59Å; M368-W371 WeakPolarHBondContact CE-O 3.19Å; M368-W371 HydrophobicContact SD-CB 3.8Å; M368-W371 HydrophobicContact SD-CG 4.41Å; W371-I373 PolarHBondContact O-N 3.13Å
372	T	21.7	Very low	25.4	Very low	124 Å²	124	117.4 Å²	117.4	76%	0.761	63%	0.632	S	S	*	*			trans	-8.6	115.4	149	-22.1	0	0	0	0	113.6
373	I	22.4	Very low	24.7	Very low	153 Å²	153	118.4 Å²	118.4	79%	0.785	65%	0.648	S	S	*	*				-163.3	80.6	121.7	-81.7	141.2	0	0	0	105.4	W371 A375	W371-I373 PolarHBondContact O-N 3.13Å; I373-A375 VanDerWaalsContact C-N 3.29Å; I373-A375 HydrophobicContact CG2-CB 4.11Å
374	L	22.2	Very low	24	Very low	158 Å²	158	120.7 Å²	120.7	83%	0.827	67%	0.665	S	S	*	*			trans	-87.4	84.3	145.5	-148.1	106.4	0	0	0	104.2	M376	L374-M376 VanDerWaalsContact C-N 3.27Å; L374-M376 HydrophobicContact CD2-CG 4.21Å; L374-M376 PolarHBondContact O-N 2.79Å; L374-M376 VanDerWaalsContact O-N 3.12Å
375	A	21.4	Very low	23.5	Very low	73 Å²	73	126.9 Å²	126.9	60%	0.603	69%	0.687	S	S	*	*			trans	-74.3	97.2	160.8	0	0	0	0	0	105.4	I373 L377	I373-A375 VanDerWaalsContact C-N 3.29Å; I373-A375 HydrophobicContact CG2-CB 4.11Å; A375-L377 VanDerWaalsContact C-N 3.29Å; A375-L377 PolarHBondContact O-N 2.73Å
376	M	20.4	Very low	23	Very low	151 Å²	151	130.9 Å²	130.9	74%	0.744	70%	0.702	S	S	*	*			trans	-50	101	157.8	-64.6	175.2	83.2	0	0	107.2	L374	L374-M376 VanDerWaalsContact C-N 3.27Å; L374-M376 HydrophobicContact CD2-CG 4.21Å; L374-M376 PolarHBondContact O-N 2.79Å; L374-M376 VanDerWaalsContact O-N 3.12Å
377	L	21.7	Very low	22.8	Very low	109 Å²	109	135.9 Å²	135.9	57%	0.571	72%	0.724	S	S	*	*			trans	-104.8	101.8	153	-81.7	168.6	0	0	0	104.7	A375	A375-L377 VanDerWaalsContact C-N 3.29Å; A375-L377 PolarHBondContact O-N 2.73Å
378	L	26.6	Very low	22.5	Very low	198 Å²	198	139.3 Å²	139.3	100%	1.037	74%	0.736	S	S	*	*			trans	94.4	0	-175.8	-55.8	173.3	0	0	0	115.3	E329	E329-L378 WeakPolarHBondContact OE2-CD1 3.38Å

Retrieved 378 of 378 residues in 1105.2 ms (Link to these results)

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