A0A060WGZ5_ONCMY Loading...

Cyclin-dependent kinase 1

Plays a key role in the control of the eukaryotic cell cycle by modulating the centrosome cycle as well as mitotic onset; promotes G2-M transition via association with multiple interphase cyclins. During G2 and early mitosis, CDC25A/B/C-mediated dephosphorylation activates CDK1/cyclin complexes which phosphorylate several substrates that trigger at least centrosome separation, Golgi dynamics, nuclear envelope breakdown and chromosome condensation. Once chromosomes are condensed and aligned at the metaphase plate, CDK1 activity is switched off by WEE1- and PKMYT1-mediated phosphorylation to allow sister chromatid separation, chromosome decondensation, reformation of the nuclear envelope and cytokinesis. Catalyzes lamin (LMNA, LMNB1 and LMNB2) phosphorylation at the onset of mitosis, promoting nuclear envelope breakdown.

AlphaFold DB , UniProt , Accession A0A060WGZ5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC100136692, Length 302 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.9	Low	88.9	Confident	71 Å²	71	77.7 Å²	77.7	35%	0.35	40%	0.4	S	S	.	.				0	21.8	0	-89	-172.3	-121.9	0	0	111.7	D3 K24 Y77	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-K24 PolarHBondContact O-NZ 3.4Å; M1-Y77 HydrophobicContact CE-CE2 4.34Å
2	D	80.3	Confident	88.3	Confident	136 Å²	136	80.1 Å²	80.1	73%	0.727	41%	0.408	S	S	*	.			trans	-75.2	-28.6	-170.8	-53.9	-56.3	0	0	0	112.2	K24	D2-K24 WeakPolarHBondContact O-CD 3.3Å; D2-K24 WeakPolarHBondContact O-CE 3.34Å; D2-K24 PolarHBondContact O-NZ 2.96Å
3	D	90.7	Very high	86.9	Confident	82 Å²	82	77.2 Å²	77.2	44%	0.439	41%	0.411	S	S	.	.	S	Bend	trans	-98.1	-8.3	178.4	-59.9	-49.2	0	0	0	114.8	M1 H23 K24	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.26Å; D3-H23 CarbonylContact O-C 3.42Å; D3-H23 WeakPolarHBondContact O-CA 3.14Å; D3-K24 PolarHBondContact O-N 3.15Å
4	Y	94.1	Very high	85.5	Confident	16 Å²	16	78.1 Å²	78.1	6%	0.063	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	-173.8	-61.4	-89.1	0	0	0	112.3	R22 H23 V30 M32 L70 I79	Y4-R22 CarbonylContact C-O 3.51Å; Y4-R22 WeakPolarHBondContact CA-O 3.05Å; Y4-H23 HydrophobicContact CD1-CB 4.14Å; Y4-H23 HydrophobicContact CE1-CB 3.99Å; Y4-H23 AromaticContact CE1-CD2 3.47Å; Y4-H23 VanDerWaalsContact CE1-CD2 3.47Å; Y4-H23 WeakPolarHBondContact CE1-CD2 3.49Å; Y4-H23 AromaticContact CZ-CD2 3.54Å; Y4-V30 HydrophobicContact CD1-CG2 3.8Å; Y4-V30 HydrophobicContact CE1-CG1 4.22Å; Y4-V30 HydrophobicContact CE1-CG2 4.06Å; Y4-M32 HydrophobicContact CG-CE 4.27Å; Y4-L70 HydrophobicContact CD2-CD1 3.6Å; Y4-L70 HydrophobicContact CE2-CD1 3.89Å; Y4-L70 HydrophobicContact CE2-CD2 4.33Å; Y4-L70 HydrophobicContact CG-CD1 4.49Å; Y4-I79 HydrophobicContact CD1-CG2 4.31Å; Y4-I79 HydrophobicContact CE1-CG2 3.64Å; Y4-I79 HydrophobicContact CE2-CG1 4.33Å
5	V	94.1	Very high	84.5	Confident	73 Å²	73	77.7 Å²	77.7	44%	0.442	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.6	171.2	179.3	0	0	0	0	108.7	G21 R22 K24	V5-G21 CarbonylContact O-C 3.47Å; V5-G21 WeakPolarHBondContact O-CA 3.44Å; V5-R22 PolarHBondContact N-O 3.49Å; V5-R22 PolarHBondContact O-N 3.17Å; V5-K24 HydrophobicContact CG2-CD 4.05Å; V5-K24 VanDerWaalsContact CG2-CE 3.49Å; V5-K24 HydrophobicContact CG2-CG 3.64Å
6	K	94.4	Very high	84.3	Confident	98 Å²	98	73 Å²	73	43%	0.426	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.4	172	176	173.3	153.1	175.3	0	109.7	Y19 M32	K6-Y19 HydrophobicContact CD-CD1 3.88Å; K6-Y19 HydrophobicContact CD-CD2 4.13Å; K6-Y19 HydrophobicContact CD-CE1 4.26Å; K6-Y19 HydrophobicContact CD-CE2 4.46Å; K6-Y19 HydrophobicContact CD-CG 3.8Å; K6-Y19 HydrophobicContact CG-CD1 4.23Å; K6-Y19 HydrophobicContact CG-CG 4.1Å; K6-Y19 PolarHBondContact NZ-OH 3.19Å; K6-M32 HydrophobicContact CB-SD 4.45Å
7	I	94.5	Very high	84.5	Confident	80 Å²	80	69.7 Å²	69.7	41%	0.41	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-65.7	-176.1	-60.5	172.5	0	0	0	110.1	K20 R22	I7-K20 WeakPolarHBondContact CA-O 3.37Å; I7-K20 WeakPolarHBondContact CB-O 3.22Å; I7-K20 PolarHBondContact N-O 3.06Å; I7-R22 HydrophobicContact CD1-CB 3.87Å
8	E	94.5	Very high	84.9	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155.6	-173.1	60.9	-177.3	150.2	0	0	111.3	I10 Y19 K20	E8-I10 HydrophobicContact CG-CG2 3.92Å; E8-Y19 CarbonylContact O-C 3.52Å; E8-Y19 WeakPolarHBondContact O-CA 3.37Å; E8-K20 HydrophobicContact CG-CB 3.86Å; E8-K20 HydrophobicContact CG-CD 4.11Å; E8-K20 PolarHBondContact N-O 2.65Å; E8-K20 PolarHBondContact O-N 2.93Å; E8-K20 VanDerWaalsContact OE1-CD 3.24Å; E8-K20 WeakPolarHBondContact OE1-CD 3.21Å; E8-K20 IonicContact OE1-NZ 2.78Å; E8-K20 PolarHBondContact OE1-NZ 2.82Å
9	K	94.1	Very high	85.4	Confident	112 Å²	112	65.9 Å²	65.9	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.1	171.2	-176.3	-179.1	172.8	-177.9	0	108.4	E12 V17 Y19	K9-E12 IonicContact NZ-OE2 2.88Å; K9-E12 PolarHBondContact NZ-OE2 3.07Å; K9-V17 HydrophobicContact CD-CG1 3.94Å; K9-V17 HydrophobicContact CG-CG1 3.85Å; K9-Y19 HydrophobicContact CB-CD1 3.81Å; K9-Y19 HydrophobicContact CB-CE1 3.78Å; K9-Y19 HydrophobicContact CD-CE1 4.46Å; K9-Y19 HydrophobicContact CG-CD1 4.22Å; K9-Y19 HydrophobicContact CG-CE1 3.97Å
10	I	89.3	Confident	85.8	Confident	65 Å²	65	65.3 Å²	65.3	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-14.1	-178.2	60.6	175.8	0	0	0	113.4	E8 V18 K20 F82	E8-I10 HydrophobicContact CG-CG2 3.92Å; I10-V18 HydrophobicContact CD1-CG1 3.78Å; I10-V18 HydrophobicContact CG1-CB 4.08Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 WeakPolarHBondContact CG1-O 3.47Å; I10-V18 PolarHBondContact N-O 3.49Å; I10-K20 HydrophobicContact CD1-CB 4.31Å; I10-K20 HydrophobicContact CG2-CB 3.72Å; I10-F82 HydrophobicContact CD1-CD2 4.19Å; I10-F82 HydrophobicContact CD1-CE2 3.7Å
11	G	83.8	Confident	86.3	Confident	28 Å²	28	62.2 Å²	62.2	29%	0.289	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	160.5	176.8	0	0	0	0	0	112.9	V17 V18	G11-V17 WeakPolarHBondContact O-CG1 3.47Å; G11-V18 PolarHBondContact N-O 2.94Å; G11-V18 PolarHBondContact O-N 2.72Å
12	E	82.4	Confident	87.7	Confident	106 Å²	106	64.9 Å²	64.9	50%	0.495	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.4	167.6	178.1	167.2	-174.8	0	0	107.5	K9 V17 R36	K9-E12 IonicContact NZ-OE2 2.88Å; K9-E12 PolarHBondContact NZ-OE2 3.07Å; E12-V17 HydrophobicContact CG-CG2 4.08Å; E12-R36 IonicContact OE1-NH2 2.73Å; E12-R36 PolarHBondContact OE1-NH2 3.25Å; E12-R36 VanDerWaalsContact OE1-NH2 3.15Å
13	G	70.1	Confident	88.5	Confident	43 Å²	43	59.8 Å²	59.8	44%	0.443	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	-176	177.3	0	0	0	0	0	110.7	Y15 G16	G13-Y15 PolarHBondContact O-N 3.3Å; G13-Y15 VanDerWaalsContact O-N 3.12Å; G13-G16 PolarHBondContact N-O 3.36Å; G13-G16 PolarHBondContact O-N 3.48Å; G13-G16 VanDerWaalsContact O-N 3.09Å; G13-G16 VanDerWaalsContact O-O 3.12Å
14	T	66.8	Low	88.7	Confident	90 Å²	90	61.2 Å²	61.2	55%	0.552	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.9	-177.6	-46.9	0	0	0	0	112.8
15	Y	71.3	Confident	88.7	Confident	71 Å²	71	65.9 Å²	65.9	28%	0.278	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.1	-174.3	-52	-67.6	0	0	0	114.2	G13 I35 R36 A150	G13-Y15 PolarHBondContact O-N 3.3Å; G13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-I35 WeakPolarHBondContact O-CA 3.25Å; Y15-R36 PolarHBondContact O-N 3.18Å; Y15-R36 VanDerWaalsContact O-N 3.1Å; Y15-A150 HydrophobicContact CE1-CB 3.95Å
16	G	80.6	Confident	88.7	Confident	3 Å²	3	66.8 Å²	66.8	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.5	-157.8	176.3	0	0	0	0	0	114.2	G13 K34	G13-G16 PolarHBondContact N-O 3.36Å; G13-G16 PolarHBondContact O-N 3.48Å; G13-G16 VanDerWaalsContact O-N 3.09Å; G13-G16 VanDerWaalsContact O-O 3.12Å; G16-K34 CarbonylContact C-O 3.4Å; G16-K34 WeakPolarHBondContact CA-O 3.45Å
17	V	88.2	Confident	88.7	Confident	17 Å²	17	64 Å²	64	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133	-169.6	-173.5	0	0	0	0	110.3	K9 G11 E12 Y19 K34	K9-V17 HydrophobicContact CD-CG1 3.94Å; K9-V17 HydrophobicContact CG-CG1 3.85Å; G11-V17 WeakPolarHBondContact O-CG1 3.47Å; E12-V17 HydrophobicContact CG-CG2 4.08Å; V17-Y19 HydrophobicContact CB-CE2 3.9Å; V17-Y19 HydrophobicContact CG1-CD1 4.41Å; V17-Y19 HydrophobicContact CG1-CD2 4.31Å; V17-Y19 HydrophobicContact CG1-CE1 3.73Å; V17-Y19 HydrophobicContact CG1-CE2 3.64Å; V17-Y19 WeakPolarHBondContact CG1-OH 3.3Å; V17-K34 PolarHBondContact N-O 2.74Å; V17-K34 PolarHBondContact O-N 3.42Å
18	V	91	Very high	88.7	Confident	33 Å²	33	64.5 Å²	64.5	20%	0.2	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.5	177.1	-168	0	0	0	0	109.6	I10 G11 A31 K33	I10-V18 HydrophobicContact CD1-CG1 3.78Å; I10-V18 HydrophobicContact CG1-CB 4.08Å; I10-V18 HydrophobicContact CG1-CG1 3.75Å; I10-V18 WeakPolarHBondContact CG1-O 3.47Å; I10-V18 PolarHBondContact N-O 3.49Å; G11-V18 PolarHBondContact N-O 2.94Å; G11-V18 PolarHBondContact O-N 2.72Å; V18-A31 HydrophobicContact CG1-CB 4.31Å; V18-K33 HydrophobicContact CG2-CB 4.44Å; V18-K33 HydrophobicContact CG2-CD 4.44Å; V18-K33 HydrophobicContact CG2-CG 4.1Å
19	Y	93.9	Very high	88.8	Confident	35 Å²	35	62.3 Å²	62.3	14%	0.137	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.3	174.2	-57	-78.2	0	0	0	110.3	K6 E8 K9 V17 A31 M32 K34	K6-Y19 HydrophobicContact CD-CD1 3.88Å; K6-Y19 HydrophobicContact CD-CD2 4.13Å; K6-Y19 HydrophobicContact CD-CE1 4.26Å; K6-Y19 HydrophobicContact CD-CE2 4.46Å; K6-Y19 HydrophobicContact CD-CG 3.8Å; K6-Y19 HydrophobicContact CG-CD1 4.23Å; K6-Y19 HydrophobicContact CG-CG 4.1Å; K6-Y19 PolarHBondContact NZ-OH 3.19Å; E8-Y19 CarbonylContact O-C 3.52Å; E8-Y19 WeakPolarHBondContact O-CA 3.37Å; K9-Y19 HydrophobicContact CB-CD1 3.81Å; K9-Y19 HydrophobicContact CB-CE1 3.78Å; K9-Y19 HydrophobicContact CD-CE1 4.46Å; K9-Y19 HydrophobicContact CG-CD1 4.22Å; K9-Y19 HydrophobicContact CG-CE1 3.97Å; V17-Y19 HydrophobicContact CB-CE2 3.9Å; V17-Y19 HydrophobicContact CG1-CD1 4.41Å; V17-Y19 HydrophobicContact CG1-CD2 4.31Å; V17-Y19 HydrophobicContact CG1-CE1 3.73Å; V17-Y19 HydrophobicContact CG1-CE2 3.64Å; V17-Y19 WeakPolarHBondContact CG1-OH 3.3Å; Y19-A31 CarbonylContact O-C 3.53Å; Y19-M32 PolarHBondContact N-O 2.93Å; Y19-M32 PolarHBondContact O-N 2.87Å; Y19-K34 HydrophobicContact CE2-CB 4.15Å
20	K	95	Very high	88.9	Confident	53 Å²	53	57 Å²	57	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.9	160.3	-174.3	-179.5	-179	-179.2	0	108.1	I7 E8 I10 V29 F82	I7-K20 WeakPolarHBondContact CA-O 3.37Å; I7-K20 WeakPolarHBondContact CB-O 3.22Å; I7-K20 PolarHBondContact N-O 3.06Å; E8-K20 HydrophobicContact CG-CB 3.86Å; E8-K20 HydrophobicContact CG-CD 4.11Å; E8-K20 PolarHBondContact N-O 2.65Å; E8-K20 PolarHBondContact O-N 2.93Å; E8-K20 VanDerWaalsContact OE1-CD 3.24Å; E8-K20 WeakPolarHBondContact OE1-CD 3.21Å; E8-K20 IonicContact OE1-NZ 2.78Å; E8-K20 PolarHBondContact OE1-NZ 2.82Å; I10-K20 HydrophobicContact CD1-CB 4.31Å; I10-K20 HydrophobicContact CG2-CB 3.72Å; K20-V29 HydrophobicContact CD-CG1 4.36Å; K20-V29 HydrophobicContact CG-CG1 3.86Å; K20-F82 HydrophobicContact CB-CE2 4.33Å; K20-F82 HydrophobicContact CD-CE2 4.14Å; K20-F82 HydrophobicContact CD-CZ 4.11Å; K20-F82 HydrophobicContact CG-CD2 4.21Å; K20-F82 HydrophobicContact CG-CE2 4Å; K20-F82 HydrophobicContact CG-CZ 4.42Å
21	G	95.8	Very high	89.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	178.6	176.7	0	0	0	0	0	111.8	V5 V29 V30	V5-G21 CarbonylContact O-C 3.47Å; V5-G21 WeakPolarHBondContact O-CA 3.44Å; G21-V29 WeakPolarHBondContact O-CA 3.28Å; G21-V30 PolarHBondContact N-O 3.09Å; G21-V30 PolarHBondContact O-N 3.17Å
22	R	96.8	Very high	89.6	Confident	127 Å²	127	53.4 Å²	53.4	48%	0.479	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.2	174.7	-179.8	177.2	-65.4	163.5	0.8	110.3	Y4 V5 I7 G27 Q28	Y4-R22 CarbonylContact C-O 3.51Å; Y4-R22 WeakPolarHBondContact CA-O 3.05Å; V5-R22 PolarHBondContact N-O 3.49Å; V5-R22 PolarHBondContact O-N 3.17Å; I7-R22 HydrophobicContact CD1-CB 3.87Å; R22-G27 WeakPolarHBondContact CG-O 3.49Å; R22-Q28 CarbonylContact C-O 3.54Å; R22-Q28 VanDerWaalsContact CA-O 3.28Å; R22-Q28 WeakPolarHBondContact CA-O 3.47Å
23	H	96.4	Very high	90	Very high	29 Å²	29	48.8 Å²	48.8	13%	0.134	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129	170.4	-166.5	-63.7	0	0	0	109.6	D3 Y4 T25 T26 G27 Q28	D3-H23 CarbonylContact O-C 3.42Å; D3-H23 WeakPolarHBondContact O-CA 3.14Å; Y4-H23 HydrophobicContact CD1-CB 4.14Å; Y4-H23 HydrophobicContact CE1-CB 3.99Å; Y4-H23 AromaticContact CE1-CD2 3.47Å; Y4-H23 VanDerWaalsContact CE1-CD2 3.47Å; Y4-H23 WeakPolarHBondContact CE1-CD2 3.49Å; Y4-H23 AromaticContact CZ-CD2 3.54Å; H23-T25 PolarHBondContact CE1-OG1 3.1Å; H23-T25 PolarHBondContact ND1-N 3.07Å; H23-T25 PolarHBondContact ND1-OG1 3.01Å; H23-T25 VanDerWaalsContact ND1-OG1 3.07Å; H23-T26 VanDerWaalsContact CB-OG1 3.3Å; H23-T26 WeakPolarHBondContact CB-OG1 3.49Å; H23-T26 PolarHBondContact ND1-N 2.79Å; H23-G27 VanDerWaalsContact O-CA 3.25Å; H23-G27 WeakPolarHBondContact O-CA 3.48Å; H23-G27 PolarHBondContact O-N 2.84Å; H23-Q28 HydrophobicContact CB-CB 4.3Å; H23-Q28 PolarHBondContact N-O 3.41Å
24	K	95.1	Very high	90.9	Very high	113 Å²	113	49 Å²	49	49%	0.491	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.9	-170.9	-72	-178	-163.3	168	0	112.9	M1 D2 D3 V5	M1-K24 PolarHBondContact O-NZ 3.4Å; D2-K24 WeakPolarHBondContact O-CD 3.3Å; D2-K24 WeakPolarHBondContact O-CE 3.34Å; D2-K24 PolarHBondContact O-NZ 2.96Å; D3-K24 PolarHBondContact O-N 3.15Å; V5-K24 HydrophobicContact CG2-CD 4.05Å; V5-K24 VanDerWaalsContact CG2-CE 3.49Å; V5-K24 HydrophobicContact CG2-CG 3.64Å
25	T	94.3	Very high	91.7	Very high	114 Å²	114	45.2 Å²	45.2	70%	0.699	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-49.2	-177.9	60.5	0	0	0	0	113.1	H23	H23-T25 PolarHBondContact CE1-OG1 3.1Å; H23-T25 PolarHBondContact ND1-N 3.07Å; H23-T25 PolarHBondContact ND1-OG1 3.01Å; H23-T25 VanDerWaalsContact ND1-OG1 3.07Å
26	T	95.3	Very high	92	Very high	92 Å²	92	48.2 Å²	48.2	56%	0.564	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-17.2	-176.2	67.3	0	0	0	0	113.7	H23 Q28	H23-T26 VanDerWaalsContact CB-OG1 3.3Å; H23-T26 WeakPolarHBondContact CB-OG1 3.49Å; H23-T26 PolarHBondContact ND1-N 2.79Å; T26-Q28 PolarHBondContact O-N 2.78Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.46Å; T26-Q28 PolarHBondContact OG1-N 3.32Å
27	G	94.1	Very high	91.5	Very high	38 Å²	38	49.8 Å²	49.8	39%	0.392	25%	0.251	S	S	.	.			trans	70.3	2.6	-172.9	0	0	0	0	0	114.2	R22 H23 V29	R22-G27 WeakPolarHBondContact CG-O 3.49Å; H23-G27 VanDerWaalsContact O-CA 3.25Å; H23-G27 WeakPolarHBondContact O-CA 3.48Å; H23-G27 PolarHBondContact O-N 2.84Å; G27-V29 PolarHBondContact O-N 2.85Å
28	Q	94.9	Very high	90.4	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.43	28%	0.277	S	S	.	.			trans	-61.8	130.6	-178.2	-174.5	-179.3	19	0	0	111	R22 H23 T26 V30	R22-Q28 CarbonylContact C-O 3.54Å; R22-Q28 VanDerWaalsContact CA-O 3.28Å; R22-Q28 WeakPolarHBondContact CA-O 3.47Å; H23-Q28 HydrophobicContact CB-CB 4.3Å; H23-Q28 PolarHBondContact N-O 3.41Å; T26-Q28 PolarHBondContact O-N 2.78Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.46Å; T26-Q28 PolarHBondContact OG1-N 3.32Å; Q28-V30 HydrophobicContact CG-CG1 4.31Å
29	V	95.6	Very high	89.2	Confident	48 Å²	48	55.8 Å²	55.8	29%	0.291	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.4	173	-177	0	0	0	0	109.2	K20 G21 G27 F82	K20-V29 HydrophobicContact CD-CG1 4.36Å; K20-V29 HydrophobicContact CG-CG1 3.86Å; G21-V29 WeakPolarHBondContact O-CA 3.28Å; G27-V29 PolarHBondContact O-N 2.85Å; V29-F82 HydrophobicContact CB-CB 4.49Å; V29-F82 HydrophobicContact CG1-CB 3.94Å; V29-F82 HydrophobicContact CG1-CD1 3.8Å; V29-F82 HydrophobicContact CG1-CD2 4.43Å; V29-F82 HydrophobicContact CG1-CE1 4.44Å; V29-F82 HydrophobicContact CG1-CG 3.79Å
30	V	95.7	Very high	87.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158	-174.8	-62.8	0	0	0	0	111.6	Y4 G21 Q28 M32 L67 I79 F80	Y4-V30 HydrophobicContact CD1-CG2 3.8Å; Y4-V30 HydrophobicContact CE1-CG1 4.22Å; Y4-V30 HydrophobicContact CE1-CG2 4.06Å; G21-V30 PolarHBondContact N-O 3.09Å; G21-V30 PolarHBondContact O-N 3.17Å; Q28-V30 HydrophobicContact CG-CG1 4.31Å; V30-M32 HydrophobicContact CG2-CG 3.97Å; V30-L67 HydrophobicContact CG1-CD1 3.79Å; V30-I79 HydrophobicContact CB-CG2 3.82Å; V30-I79 HydrophobicContact CG1-CG2 4.03Å; V30-I79 HydrophobicContact CG2-CG2 3.95Å; V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 WeakPolarHBondContact CB-O 3.41Å
31	A	94.8	Very high	86	Confident	14 Å²	14	67.4 Å²	67.4	12%	0.116	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.9	166.8	0	0	0	0	0	109.3	V18 Y19 I79 F80 F82	V18-A31 HydrophobicContact CG1-CB 4.31Å; Y19-A31 CarbonylContact O-C 3.53Å; A31-I79 WeakPolarHBondContact O-CA 3.4Å; A31-F80 HydrophobicContact CB-CB 4.31Å; A31-F80 PolarHBondContact N-O 3.36Å; A31-F80 PolarHBondContact O-N 3.02Å; A31-F82 HydrophobicContact CB-CD2 4.33Å
32	M	93.7	Very high	84.5	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.02	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	101.8	-179.2	-48.5	-179.9	74.4	0	0	109	Y4 K6 Y19 V30 K34 I79	Y4-M32 HydrophobicContact CG-CE 4.27Å; K6-M32 HydrophobicContact CB-SD 4.45Å; Y19-M32 PolarHBondContact N-O 2.93Å; Y19-M32 PolarHBondContact O-N 2.87Å; V30-M32 HydrophobicContact CG2-CG 3.97Å; M32-K34 PolarHBondContact O-N 3.12Å; M32-I79 HydrophobicContact CB-CD1 4.01Å; M32-I79 HydrophobicContact CE-CD1 3.7Å; M32-I79 HydrophobicContact CG-CD1 3.82Å
33	K	90.6	Very high	82.9	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.4	177.5	-171.2	171.3	-164.4	170.1	0	109.8	V18 I35 Y77 L78 F80 D146 L149	V18-K33 HydrophobicContact CG2-CB 4.44Å; V18-K33 HydrophobicContact CG2-CD 4.44Å; V18-K33 HydrophobicContact CG2-CG 4.1Å; K33-I35 HydrophobicContact CD-CD1 4.26Å; K33-I35 HydrophobicContact CG-CD1 4.07Å; K33-I35 PolarHBondContact O-N 2.82Å; K33-Y77 WeakPolarHBondContact O-CA 3.18Å; K33-L78 HydrophobicContact CB-CB 4.38Å; K33-L78 PolarHBondContact N-O 3.11Å; K33-L78 PolarHBondContact O-N 3.25Å; K33-F80 HydrophobicContact CB-CD2 4.38Å; K33-F80 HydrophobicContact CB-CE2 4.05Å; K33-F80 HydrophobicContact CD-CE2 4.37Å; K33-D146 IonicContact NZ-OD1 2.64Å; K33-D146 PolarHBondContact NZ-OD1 3Å; K33-D146 IonicContact NZ-OD2 2.61Å; K33-D146 PolarHBondContact NZ-OD2 3.35Å; K33-L149 HydrophobicContact CD-CD1 3.93Å; K33-L149 VanDerWaalsContact NZ-CD1 3.29Å
34	K	89.4	Confident	81.5	Confident	48 Å²	48	70 Å²	70	21%	0.209	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.3	170.2	-175.1	-175.3	176.1	-174.7	0	108.5	G16 V17 Y19 M32 Y77	G16-K34 CarbonylContact C-O 3.4Å; G16-K34 WeakPolarHBondContact CA-O 3.45Å; V17-K34 PolarHBondContact N-O 2.74Å; V17-K34 PolarHBondContact O-N 3.42Å; Y19-K34 HydrophobicContact CE2-CB 4.15Å; M32-K34 PolarHBondContact O-N 3.12Å; K34-Y77 HydrophobicContact CB-CD1 3.78Å; K34-Y77 HydrophobicContact CB-CE1 3.56Å; K34-Y77 HydrophobicContact CD-CE1 3.96Å; K34-Y77 HydrophobicContact CG-CD1 4.14Å; K34-Y77 HydrophobicContact CG-CE1 3.62Å
35	I	84.4	Confident	80.2	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.046	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.4	178.5	-55.9	-62.1	0	0	0	109.6	Y15 K33 L37 L76 L78 L149 F153	Y15-I35 WeakPolarHBondContact O-CA 3.25Å; K33-I35 HydrophobicContact CD-CD1 4.26Å; K33-I35 HydrophobicContact CG-CD1 4.07Å; K33-I35 PolarHBondContact O-N 2.82Å; I35-L37 HydrophobicContact CG2-CD2 4.34Å; I35-L76 HydrophobicContact CB-CB 4.34Å; I35-L76 HydrophobicContact CB-CD2 4.44Å; I35-L76 HydrophobicContact CG1-CB 4.49Å; I35-L76 HydrophobicContact CG1-CD2 4.08Å; I35-L76 HydrophobicContact CG1-CG 4.26Å; I35-L76 PolarHBondContact N-O 3.02Å; I35-L78 HydrophobicContact CD1-CD1 3.89Å; I35-L78 HydrophobicContact CD1-CG 4.16Å; I35-L78 HydrophobicContact CG1-CD1 4.24Å; I35-L78 HydrophobicContact CG1-CG 4.07Å; I35-L149 HydrophobicContact CD1-CD1 4.21Å; I35-F153 HydrophobicContact CB-CZ 4.24Å; I35-F153 HydrophobicContact CD1-CE2 3.97Å; I35-F153 HydrophobicContact CD1-CZ 4.1Å; I35-F153 HydrophobicContact CG1-CE2 4.14Å; I35-F153 HydrophobicContact CG1-CZ 3.75Å; I35-F153 HydrophobicContact CG2-CD1 4.42Å; I35-F153 HydrophobicContact CG2-CD2 4.35Å; I35-F153 HydrophobicContact CG2-CE1 3.96Å; I35-F153 HydrophobicContact CG2-CE2 3.91Å; I35-F153 HydrophobicContact CG2-CZ 3.69Å
36	R	75.8	Confident	78.9	Confident	135 Å²	135	67.1 Å²	67.1	51%	0.509	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-84.4	119.7	170.6	-173.5	175.9	-80.8	165.5	1.7	108.2	E12 Y15	E12-R36 IonicContact OE1-NH2 2.73Å; E12-R36 PolarHBondContact OE1-NH2 3.25Å; E12-R36 VanDerWaalsContact OE1-NH2 3.15Å; Y15-R36 PolarHBondContact O-N 3.18Å; Y15-R36 VanDerWaalsContact O-N 3.1Å
37	L	70.7	Confident	77.5	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.183	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-93.3	146.5	175.7	-59.7	171.3	0	0	0	109.4	I35 V44 S74	I35-L37 HydrophobicContact CG2-CD2 4.34Å; L37-V44 HydrophobicContact CD1-CG2 3.52Å; L37-V44 HydrophobicContact CD2-CG2 3.56Å; L37-V44 HydrophobicContact CG-CG2 4.15Å; L37-S74 WeakPolarHBondContact CD1-O 3.5Å
38	E	65.6	Low	76.3	Confident	137 Å²	137	65.1 Å²	65.1	64%	0.64	34%	0.338	S	S	*	.	S	Bend	trans	-76	-31.4	179.6	-65.8	-174.6	159.1	0	0	112.1	V155	E38-V155 HydrophobicContact CG-CG2 4.44Å
39	S	65.3	Low	75.1	Confident	40 Å²	40	62.9 Å²	62.9	28%	0.28	33%	0.331	S	S	.	.			trans	-128.1	117.8	173.3	179.3	0	0	0	0	110	E41 E42	S39-E41 PolarHBondContact O-N 3.18Å; S39-E41 PolarHBondContact OG-N 2.95Å; S39-E42 PolarHBondContact OG-N 3.37Å
40	E	60.1	Low	73.7	Confident	140 Å²	140	69.9 Å²	69.9	65%	0.654	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.2	173.4	-72.5	-166.2	151.9	0	0	111.9
41	E	61.3	Low	72.4	Confident	191 Å²	191	73.9 Å²	73.9	89%	0.893	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-35.5	-178.6	-65.2	-169.1	169.6	0	0	113.1	S39 G43	S39-E41 PolarHBondContact O-N 3.18Å; S39-E41 PolarHBondContact OG-N 2.95Å; E41-G43 VanDerWaalsContact C-N 3.32Å
42	E	63.8	Low	71.4	Confident	171 Å²	171	73.2 Å²	73.2	80%	0.799	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.5	-179.8	-66.9	-174.8	163.4	0	0	113.1	S39	S39-E42 PolarHBondContact OG-N 3.37Å
43	G	65.1	Low	70.1	Confident	17 Å²	17	75.5 Å²	75.5	18%	0.175	38%	0.381	C	S	.	.			trans	63.5	-153.7	-176.7	0	0	0	0	0	112.4	E41	E41-G43 VanDerWaalsContact C-N 3.32Å
44	V	67.1	Low	69	Low	23 Å²	23	79.7 Å²	79.7	14%	0.139	40%	0.403	C	S	.	.			trans	-96.8	126.6	177.9	-174.3	0	0	0	0	110.1	L37 S46 A48 V49 M71 L76 F153	L37-V44 HydrophobicContact CD1-CG2 3.52Å; L37-V44 HydrophobicContact CD2-CG2 3.56Å; L37-V44 HydrophobicContact CG-CG2 4.15Å; V44-S46 PolarHBondContact O-N 3.12Å; V44-A48 HydrophobicContact CG1-CB 4.03Å; V44-V49 HydrophobicContact CB-CG2 4.3Å; V44-V49 HydrophobicContact CG1-CG2 3.75Å; V44-M71 HydrophobicContact CB-CE 3.67Å; V44-M71 HydrophobicContact CG1-CE 4.48Å; V44-M71 HydrophobicContact CG2-CE 3.51Å; V44-M71 HydrophobicContact CG2-SD 4.09Å; V44-L76 HydrophobicContact CG1-CD2 4.12Å; V44-L76 HydrophobicContact CG2-CB 3.85Å; V44-L76 HydrophobicContact CG2-CD2 4.32Å; V44-F153 HydrophobicContact CG1-CE1 4.27Å
45	P	67	Low	68.2	Low	66 Å²	66	78.9 Å²	78.9	43%	0.429	40%	0.401	S	S	.	.			trans	-54.3	134.6	173.3	-25.3	33.6	0	0	0	111.5	T47 A48 V49	P45-T47 WeakPolarHBondContact CB-OG1 3.5Å; P45-T47 PolarHBondContact O-N 3.43Å; P45-T47 VanDerWaalsContact O-N 3.17Å; P45-A48 HydrophobicContact CB-CB 4.34Å; P45-A48 WeakPolarHBondContact O-CB 3.46Å; P45-A48 PolarHBondContact O-N 3.06Å; P45-V49 PolarHBondContact O-N 3.12Å
46	S	66.8	Low	67.8	Low	100 Å²	100	82.4 Å²	82.4	70%	0.699	42%	0.416	S	S	*	.	H	α-helix	trans	-59.7	-28.3	178	59.1	0	0	0	0	112.6	V44 V49 R50	V44-S46 PolarHBondContact O-N 3.12Å; S46-V49 PolarHBondContact O-N 2.74Å; S46-R50 WeakPolarHBondContact O-CB 3.29Å; S46-R50 PolarHBondContact O-N 2.82Å
47	T	65.6	Low	67.9	Low	88 Å²	88	82.8 Å²	82.8	54%	0.54	42%	0.424	S	S	.	.	H	α-helix	trans	-61.7	-44.4	171.4	49.4	0	0	0	0	111.9	P45 R50 E51	P45-T47 WeakPolarHBondContact CB-OG1 3.5Å; P45-T47 PolarHBondContact O-N 3.43Å; P45-T47 VanDerWaalsContact O-N 3.17Å; T47-R50 WeakPolarHBondContact O-CB 3.44Å; T47-R50 PolarHBondContact O-N 3.31Å; T47-E51 WeakPolarHBondContact O-CG 3.4Å; T47-E51 PolarHBondContact O-N 3.33Å
48	A	68.6	Low	68.4	Low	1 Å²	1	81.6 Å²	81.6	1%	0.008	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-43.4	177.8	0	0	0	0	0	111.6	V44 P45 R50 E51 I52 A152 F153	V44-A48 HydrophobicContact CG1-CB 4.03Å; P45-A48 HydrophobicContact CB-CB 4.34Å; P45-A48 WeakPolarHBondContact O-CB 3.46Å; P45-A48 PolarHBondContact O-N 3.06Å; A48-R50 VanDerWaalsContact C-N 3.27Å; A48-R50 PolarHBondContact O-N 3.36Å; A48-E51 PolarHBondContact O-N 3.16Å; A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 WeakPolarHBondContact O-CD1 3.45Å; A48-I52 WeakPolarHBondContact O-CG1 3.4Å; A48-I52 PolarHBondContact O-N 3.31Å; A48-A152 VanDerWaalsContact CA-O 3.22Å; A48-A152 WeakPolarHBondContact CA-O 3.43Å; A48-A152 WeakPolarHBondContact CB-O 3.35Å; A48-F153 HydrophobicContact CB-CD1 3.76Å; A48-F153 HydrophobicContact CB-CE1 4.16Å
49	V	70	Confident	69.5	Low	45 Å²	45	78 Å²	78	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-59.7	-40.5	174.8	179.9	0	0	0	0	111.1	V44 P45 S46 S53 M71	V44-V49 HydrophobicContact CB-CG2 4.3Å; V44-V49 HydrophobicContact CG1-CG2 3.75Å; P45-V49 PolarHBondContact O-N 3.12Å; S46-V49 PolarHBondContact O-N 2.74Å; V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 2.89Å; V49-S53 PolarHBondContact O-OG 2.85Å; V49-M71 HydrophobicContact CG2-CE 4.46Å
50	R	66.3	Low	70.7	Confident	195 Å²	195	78.1 Å²	78.1	74%	0.736	41%	0.407	S	S	*	.	H	α-helix	trans	-65.2	-46.4	176.7	-171.5	176.5	-176.6	171.1	1.6	111.9	S46 T47 A48 I52 S53 L54	S46-R50 WeakPolarHBondContact O-CB 3.29Å; S46-R50 PolarHBondContact O-N 2.82Å; T47-R50 WeakPolarHBondContact O-CB 3.44Å; T47-R50 PolarHBondContact O-N 3.31Å; A48-R50 VanDerWaalsContact C-N 3.27Å; A48-R50 PolarHBondContact O-N 3.36Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.88Å; R50-S53 WeakPolarHBondContact O-CB 3.35Å; R50-S53 PolarHBondContact O-N 3.2Å; R50-L54 PolarHBondContact O-N 2.91Å; R50-L54 VanDerWaalsContact O-N 3.16Å
51	E	67.6	Low	72.3	Confident	84 Å²	84	75.2 Å²	75.2	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-63.9	-37.5	178.1	-72.4	-168.3	-154.4	0	0	112.2	T47 A48 L54 A152	T47-E51 WeakPolarHBondContact O-CG 3.4Å; T47-E51 PolarHBondContact O-N 3.33Å; A48-E51 PolarHBondContact O-N 3.16Å; E51-L54 WeakPolarHBondContact O-CB 3.41Å; E51-L54 PolarHBondContact O-N 3.28Å; E51-A152 HydrophobicContact CB-CB 3.76Å; E51-A152 VanDerWaalsContact OE2-CA 3.25Å; E51-A152 WeakPolarHBondContact OE2-CA 3.42Å
52	I	74.2	Confident	73.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69	-37	174.1	-66.4	159.1	0	0	0	111.4	A48 R50 L54 L55 L66 V69 L76 L78 A152 F153	A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 WeakPolarHBondContact O-CD1 3.45Å; A48-I52 WeakPolarHBondContact O-CG1 3.4Å; A48-I52 PolarHBondContact O-N 3.31Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 2.88Å; I52-L54 PolarHBondContact O-N 3.46Å; I52-L55 WeakPolarHBondContact O-CA 3.36Å; I52-L55 WeakPolarHBondContact O-CB 3.43Å; I52-L55 PolarHBondContact O-N 2.73Å; I52-L66 HydrophobicContact CG2-CD2 3.85Å; I52-L66 WeakPolarHBondContact O-CD2 3.44Å; I52-V69 HydrophobicContact CG2-CG2 3.79Å; I52-L76 HydrophobicContact CD1-CD2 3.74Å; I52-L78 HydrophobicContact CD1-CD2 4.44Å; I52-L78 HydrophobicContact CG2-CD1 4.33Å; I52-L78 HydrophobicContact CG2-CD2 3.55Å; I52-A152 HydrophobicContact CG1-CB 4.23Å; I52-F153 HydrophobicContact CD1-CD1 4.35Å; I52-F153 HydrophobicContact CD1-CE1 3.39Å; I52-F153 HydrophobicContact CD1-CE2 3.94Å; I52-F153 HydrophobicContact CD1-CZ 3.12Å; I52-F153 HydrophobicContact CG1-CE2 4.49Å; I52-F153 HydrophobicContact CG1-CZ 4.09Å
53	S	67.7	Low	75.2	Confident	52 Å²	52	58.4 Å²	58.4	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-30.3	177.1	-60.8	0	0	0	0	111.3	V49 R50 L55 K56	V49-S53 WeakPolarHBondContact O-CB 3.46Å; V49-S53 PolarHBondContact O-N 2.89Å; V49-S53 PolarHBondContact O-OG 2.85Å; R50-S53 WeakPolarHBondContact O-CB 3.35Å; R50-S53 PolarHBondContact O-N 3.2Å; S53-L55 PolarHBondContact O-N 3.36Å; S53-K56 VanDerWaalsContact O-CB 3.3Å; S53-K56 WeakPolarHBondContact O-CB 3.49Å; S53-K56 PolarHBondContact O-N 3.01Å
54	L	67.6	Low	76.5	Confident	96 Å²	96	58.1 Å²	58.1	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-25.1	170.3	-62	173	0	0	0	112.5	R50 E51 I52 K56 E57	R50-L54 PolarHBondContact O-N 2.91Å; R50-L54 VanDerWaalsContact O-N 3.16Å; E51-L54 WeakPolarHBondContact O-CB 3.41Å; E51-L54 PolarHBondContact O-N 3.28Å; I52-L54 PolarHBondContact O-N 3.46Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.23Å; L54-E57 WeakPolarHBondContact O-CB 3.18Å; L54-E57 PolarHBondContact O-N 3.47Å
55	L	71.3	Confident	77.7	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.162	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-23.3	172.1	-56.4	174	0	0	0	112.1	I52 S53 E57 L58 L66 F147 L149	I52-L55 WeakPolarHBondContact O-CA 3.36Å; I52-L55 WeakPolarHBondContact O-CB 3.43Å; I52-L55 PolarHBondContact O-N 2.73Å; S53-L55 PolarHBondContact O-N 3.36Å; L55-E57 PolarHBondContact O-N 3.36Å; L55-L58 HydrophobicContact CD2-CD1 3.63Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 3.26Å; L55-L58 VanDerWaalsContact O-N 3.12Å; L55-L66 HydrophobicContact CB-CD2 4.02Å; L55-F147 HydrophobicContact CD2-CB 4.35Å; L55-L149 HydrophobicContact CD1-CD2 4.28Å
56	K	77.1	Confident	78.8	Confident	84 Å²	84	58.4 Å²	58.4	37%	0.365	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.9	171.6	-73.6	-168.7	161	-174	0	111.9	S53 L54 L58 L66 D68	S53-K56 VanDerWaalsContact O-CB 3.3Å; S53-K56 WeakPolarHBondContact O-CB 3.49Å; S53-K56 PolarHBondContact O-N 3.01Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.23Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; K56-L66 HydrophobicContact CG-CB 4.4Å; K56-L66 HydrophobicContact CG-CD2 3.74Å; K56-L66 HydrophobicContact CG-CG 3.94Å; K56-D68 IonicContact NZ-OD1 3.48Å; K56-D68 PolarHBondContact NZ-OD1 3.11Å
57	E	77	Confident	79.9	Confident	142 Å²	142	55.7 Å²	55.7	66%	0.664	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.6	178	-58.5	-176.9	178.9	0	0	112.9	L54 L55 A59	L54-E57 WeakPolarHBondContact O-CB 3.18Å; L54-E57 PolarHBondContact O-N 3.47Å; L55-E57 PolarHBondContact O-N 3.36Å; E57-A59 PolarHBondContact O-N 3.05Å
58	L	81.5	Confident	81.1	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.058	28%	0.275	C	S	.	.			trans	-79.7	69.3	174.7	-61.2	-179.1	0	0	0	110.9	L55 K56 V63 F118 V124	L55-L58 HydrophobicContact CD2-CD1 3.63Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 3.26Å; L55-L58 VanDerWaalsContact O-N 3.12Å; K56-L58 VanDerWaalsContact C-N 3.27Å; K56-L58 PolarHBondContact O-N 3.17Å; L58-V63 HydrophobicContact CB-CG1 4.23Å; L58-F118 HydrophobicContact CB-CE1 4.09Å; L58-F118 HydrophobicContact CD2-CE1 3.75Å; L58-V124 HydrophobicContact CD1-CG1 4.38Å; L58-V124 HydrophobicContact CD1-CG2 4.46Å; L58-V124 HydrophobicContact CD2-CG2 4.36Å
59	A	88.3	Confident	82	Confident	62 Å²	62	55 Å²	55	51%	0.512	28%	0.283	S	S	.	.			trans	-93	104.2	174	0	0	0	0	0	110.6	E57 F118	E57-A59 PolarHBondContact O-N 3.05Å; A59-F118 WeakPolarHBondContact O-CZ 3.46Å
60	H	91.6	Very high	82.9	Confident	41 Å²	41	54.3 Å²	54.3	19%	0.19	28%	0.278	C	S	.	.			trans	-148	143.4	176	-175.3	-91.5	0	0	0	110.5	N62 V63 F118	H60-N62 PolarHBondContact CE1-OD1 3.03Å; H60-N62 PolarHBondContact ND1-N 2.92Å; H60-N62 PolarHBondContact O-N 2.9Å; H60-N62 VanDerWaalsContact O-N 3.1Å; H60-V63 HydrophobicContact CB-CB 4.01Å; H60-V63 HydrophobicContact CB-CG2 3.94Å; H60-V63 PolarHBondContact O-N 3.43Å; H60-F118 HydrophobicContact CB-CB 4.43Å; H60-F118 HydrophobicContact CB-CD1 3.71Å; H60-F118 HydrophobicContact CB-CD2 3.89Å; H60-F118 HydrophobicContact CB-CE1 3.83Å; H60-F118 HydrophobicContact CB-CE2 3.97Å; H60-F118 HydrophobicContact CB-CG 3.76Å; H60-F118 HydrophobicContact CB-CZ 3.96Å; H60-F118 AromaticContact CD2-CD2 3.49Å; H60-F118 VanDerWaalsContact CD2-CD2 3.49Å; H60-F118 WeakPolarHBondContact CD2-CD2 3.48Å; H60-F118 AromaticContact CD2-CG 3.66Å; H60-F118 AromaticContact CG-CD2 3.93Å; H60-F118 AromaticContact CG-CG 3.77Å
61	P	92.6	Very high	83.7	Confident	80 Å²	80	49.7 Å²	49.7	52%	0.519	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.8	-178.9	-29.1	36.4	0	0	0	114.5	K143	P61-K143 WeakPolarHBondContact O-CD 3.5Å; P61-K143 WeakPolarHBondContact O-CE 3.41Å; P61-K143 WeakPolarHBondContact O-CG 3.47Å; P61-K143 PolarHBondContact O-NZ 3.01Å
62	N	94.6	Very high	84.3	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	20.8	179.8	-51	103.4	0	0	0	114.3	H60 Q111 I142 K143 L144	H60-N62 PolarHBondContact CE1-OD1 3.03Å; H60-N62 PolarHBondContact ND1-N 2.92Å; H60-N62 PolarHBondContact O-N 2.9Å; H60-N62 VanDerWaalsContact O-N 3.1Å; N62-Q111 VanDerWaalsContact CB-O 3.22Å; N62-Q111 WeakPolarHBondContact CB-O 3.49Å; N62-Q111 VanDerWaalsContact ND2-CB 3.35Å; N62-Q111 WeakPolarHBondContact ND2-CB 3.45Å; N62-Q111 WeakPolarHBondContact ND2-CG 2.91Å; N62-Q111 PolarHBondContact ND2-OE1 2.88Å; N62-I142 WeakPolarHBondContact CB-O 3.5Å; N62-I142 PolarHBondContact ND2-O 3.34Å; N62-K143 WeakPolarHBondContact O-CA 3.47Å; N62-L144 WeakPolarHBondContact O-CG 3.34Å; N62-L144 PolarHBondContact O-N 2.94Å
63	V	92.4	Very high	84.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-126.1	129.4	173.2	169.3	0	0	0	0	107.5	L58 H60 Q65 F118 F147	L58-V63 HydrophobicContact CB-CG1 4.23Å; H60-V63 HydrophobicContact CB-CB 4.01Å; H60-V63 HydrophobicContact CB-CG2 3.94Å; H60-V63 PolarHBondContact O-N 3.43Å; V63-Q65 PolarHBondContact O-N 2.83Å; V63-F118 HydrophobicContact CG2-CD1 4.3Å; V63-F147 HydrophobicContact CB-CE2 4.28Å; V63-F147 HydrophobicContact CB-CZ 4.48Å; V63-F147 HydrophobicContact CG1-CD2 4.21Å; V63-F147 HydrophobicContact CG1-CE2 3.5Å; V63-F147 VanDerWaalsContact CG1-CE2 3.5Å; V63-F147 HydrophobicContact CG1-CZ 3.97Å; V63-F147 HydrophobicContact CG2-CE2 4.2Å; V63-F147 HydrophobicContact CG2-CZ 3.92Å
64	V	92.3	Very high	85	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.073	30%	0.296	C	S	.	.			trans	-62.8	121.1	177.6	173.5	0	0	0	0	109.2	L66 F80 E81 L83 L135 K143 L144 A145	V64-L66 PolarHBondContact O-N 3.25Å; V64-F80 HydrophobicContact CG1-CB 3.84Å; V64-F80 HydrophobicContact CG1-CD1 3.86Å; V64-F80 HydrophobicContact CG1-CG 4.16Å; V64-E81 WeakPolarHBondContact CA-OE1 3.43Å; V64-E81 HydrophobicContact CG1-CG 3.91Å; V64-L83 HydrophobicContact CG2-CD1 4.02Å; V64-L135 HydrophobicContact CG2-CD1 4.01Å; V64-L135 HydrophobicContact CG2-CG 4.48Å; V64-K143 HydrophobicContact CG2-CB 3.66Å; V64-K143 HydrophobicContact CG2-CD 4.38Å; V64-L144 WeakPolarHBondContact CB-O 3.39Å; V64-L144 WeakPolarHBondContact CG2-O 3.28Å; V64-L144 PolarHBondContact N-O 3.26Å; V64-A145 HydrophobicContact CB-CB 4.29Å; V64-A145 HydrophobicContact CG2-CB 3.71Å
65	Q	90.8	Very high	85.7	Confident	87 Å²	87	55.4 Å²	55.4	41%	0.407	29%	0.288	S	S	.	.			trans	-75.1	126.4	-176.6	-169.8	175.5	15.4	0	0	111.4	V63 L67 F80 E81	V63-Q65 PolarHBondContact O-N 2.83Å; Q65-L67 HydrophobicContact CB-CD2 4.38Å; Q65-L67 HydrophobicContact CG-CD2 4.01Å; Q65-L67 PolarHBondContact O-N 3.25Å; Q65-F80 VanDerWaalsContact O-CA 3.29Å; Q65-F80 WeakPolarHBondContact O-CA 3.37Å; Q65-E81 HydrophobicContact CB-CG 4.32Å; Q65-E81 WeakPolarHBondContact CB-OE1 3Å; Q65-E81 PolarHBondContact N-OE1 3.42Å; Q65-E81 PolarHBondContact O-N 3.19Å; Q65-E81 VanDerWaalsContact O-N 3.12Å
66	L	90.8	Very high	86.3	Confident	8 Å²	8	54 Å²	54	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.4	163.8	-179.4	65	0	0	0	108.5	I52 L55 K56 V64 D68 V69 L78 I79 F80	I52-L66 HydrophobicContact CG2-CD2 3.85Å; I52-L66 WeakPolarHBondContact O-CD2 3.44Å; L55-L66 HydrophobicContact CB-CD2 4.02Å; K56-L66 HydrophobicContact CG-CB 4.4Å; K56-L66 HydrophobicContact CG-CD2 3.74Å; K56-L66 HydrophobicContact CG-CG 3.94Å; V64-L66 PolarHBondContact O-N 3.25Å; L66-D68 WeakPolarHBondContact CD1-O 3.38Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.86Å; L66-V69 HydrophobicContact CG-CG2 4.33Å; L66-L78 HydrophobicContact CD1-CB 3.87Å; L66-I79 CarbonylContact C-O 3.41Å; L66-F80 HydrophobicContact CB-CD1 4.1Å; L66-F80 HydrophobicContact CB-CE1 3.89Å; L66-F80 HydrophobicContact CD1-CD1 4.05Å; L66-F80 HydrophobicContact CD1-CE1 3.7Å; L66-F80 HydrophobicContact CD1-CE2 4.36Å; L66-F80 HydrophobicContact CD1-CZ 3.87Å; L66-F80 HydrophobicContact CG-CE1 4.36Å
67	L	90.9	Very high	86.9	Confident	43 Å²	43	50.7 Å²	50.7	23%	0.225	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-46	179.4	-56.1	176.9	0	0	0	110.5	V30 Q65 I79	V30-L67 HydrophobicContact CG1-CD1 3.79Å; Q65-L67 HydrophobicContact CB-CD2 4.38Å; Q65-L67 HydrophobicContact CG-CD2 4.01Å; Q65-L67 PolarHBondContact O-N 3.25Å; L67-I79 WeakPolarHBondContact CA-O 3.22Å; L67-I79 HydrophobicContact CB-CG2 4.35Å; L67-I79 WeakPolarHBondContact CB-O 3.36Å; L67-I79 PolarHBondContact N-O 3.23Å
68	D	89.6	Confident	87.5	Confident	43 Å²	43	44 Å²	44	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.1	-176	-148.2	5.2	0	0	0	115.2	K56 L66 L70 I79	K56-D68 IonicContact NZ-OD1 3.48Å; K56-D68 PolarHBondContact NZ-OD1 3.11Å; L66-D68 WeakPolarHBondContact CD1-O 3.38Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.44Å; D68-I79 HydrophobicContact CB-CB 3.96Å; D68-I79 HydrophobicContact CB-CG1 4.02Å; D68-I79 PolarHBondContact N-O 3.31Å; D68-I79 VanDerWaalsContact N-O 3.12Å; D68-I79 PolarHBondContact O-N 3.5Å
69	V	88.5	Confident	88	Confident	31 Å²	31	43.4 Å²	43.4	19%	0.188	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.1	177.2	-178.6	0	0	0	0	107.8	I52 L66 L76 L78	I52-V69 HydrophobicContact CG2-CG2 3.79Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.86Å; L66-V69 HydrophobicContact CG-CG2 4.33Å; V69-L76 HydrophobicContact CG1-CD1 3.49Å; V69-L76 VanDerWaalsContact CG1-CD1 3.49Å; V69-L78 HydrophobicContact CG1-CD2 4.03Å; V69-L78 HydrophobicContact CG2-CD2 4.08Å
70	L	87.8	Confident	88.2	Confident	30 Å²	30	41.7 Å²	41.7	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	-176.9	-49.3	176.3	0	0	0	110.4	Y4 D68 L76 Y77 I79	Y4-L70 HydrophobicContact CD2-CD1 3.6Å; Y4-L70 HydrophobicContact CE2-CD1 3.89Å; Y4-L70 HydrophobicContact CE2-CD2 4.33Å; Y4-L70 HydrophobicContact CG-CD1 4.49Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.44Å; L70-L76 WeakPolarHBondContact O-CA 3.31Å; L70-Y77 PolarHBondContact N-O 3.13Å; L70-Y77 PolarHBondContact O-N 2.98Å; L70-I79 HydrophobicContact CD1-CD1 3.76Å; L70-I79 HydrophobicContact CD1-CG1 3.81Å; L70-I79 HydrophobicContact CG-CD1 4.29Å; L70-I79 HydrophobicContact CG-CG1 3.92Å
71	M	83.4	Confident	88.3	Confident	98 Å²	98	41.3 Å²	41.3	48%	0.483	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	169.3	-167.4	65.9	73	0	0	109.1	V44 V49 R75 L76	V44-M71 HydrophobicContact CB-CE 3.67Å; V44-M71 HydrophobicContact CG1-CE 4.48Å; V44-M71 HydrophobicContact CG2-CE 3.51Å; V44-M71 HydrophobicContact CG2-SD 4.09Å; V49-M71 HydrophobicContact CG2-CE 4.46Å; M71-R75 WeakPolarHBondContact CA-O 3.46Å; M71-R75 VanDerWaalsContact SD-C 3.59Å; M71-L76 HydrophobicContact CE-CB 4.24Å; M71-L76 HydrophobicContact CE-CD1 3.89Å; M71-L76 HydrophobicContact SD-CB 4.27Å
72	Q	80.4	Confident	88.3	Confident	58 Å²	58	40.4 Å²	40.4	27%	0.271	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	126.4	174	179.5	172.8	-7.3	0	0	110.1	S74 R75	Q72-S74 VanDerWaalsContact C-N 3.29Å; Q72-S74 PolarHBondContact O-N 2.88Å; Q72-R75 PolarHBondContact N-O 2.92Å; Q72-R75 WeakPolarHBondContact O-CA 3.17Å; Q72-R75 VanDerWaalsContact O-CB 3.27Å; Q72-R75 WeakPolarHBondContact O-CB 3.35Å; Q72-R75 PolarHBondContact O-N 3.43Å
73	E	80.5	Confident	88.2	Confident	142 Å²	142	41 Å²	41	66%	0.664	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	49.8	178	-62.6	163.1	-156.4	0	0	111.9	R75	E73-R75 PolarHBondContact O-N 3.34Å
74	S	76.9	Confident	87.9	Confident	66 Å²	66	44.8 Å²	44.8	46%	0.462	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	16	-175.9	-54.4	0	0	0	0	115.2	L37 Q72	L37-S74 WeakPolarHBondContact CD1-O 3.5Å; Q72-S74 VanDerWaalsContact C-N 3.29Å; Q72-S74 PolarHBondContact O-N 2.88Å
75	R	81.1	Confident	87.8	Confident	87 Å²	87	47.5 Å²	47.5	33%	0.328	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.4	176.2	-63.6	158.5	170.4	172.1	5.1	110.6	M71 Q72 E73 Y77	M71-R75 WeakPolarHBondContact CA-O 3.46Å; M71-R75 VanDerWaalsContact SD-C 3.59Å; Q72-R75 PolarHBondContact N-O 2.92Å; Q72-R75 WeakPolarHBondContact O-CA 3.17Å; Q72-R75 VanDerWaalsContact O-CB 3.27Å; Q72-R75 WeakPolarHBondContact O-CB 3.35Å; Q72-R75 PolarHBondContact O-N 3.43Å; E73-R75 PolarHBondContact O-N 3.34Å; R75-Y77 HydrophobicContact CB-CE2 3.78Å
76	L	85	Confident	88	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.5	177.3	-178.3	69.3	0	0	0	111.4	I35 V44 I52 V69 L70 M71 L78 F153	I35-L76 HydrophobicContact CB-CB 4.34Å; I35-L76 HydrophobicContact CB-CD2 4.44Å; I35-L76 HydrophobicContact CG1-CB 4.49Å; I35-L76 HydrophobicContact CG1-CD2 4.08Å; I35-L76 HydrophobicContact CG1-CG 4.26Å; I35-L76 PolarHBondContact N-O 3.02Å; V44-L76 HydrophobicContact CG1-CD2 4.12Å; V44-L76 HydrophobicContact CG2-CB 3.85Å; V44-L76 HydrophobicContact CG2-CD2 4.32Å; I52-L76 HydrophobicContact CD1-CD2 3.74Å; V69-L76 HydrophobicContact CG1-CD1 3.49Å; V69-L76 VanDerWaalsContact CG1-CD1 3.49Å; L70-L76 WeakPolarHBondContact O-CA 3.31Å; M71-L76 HydrophobicContact CE-CB 4.24Å; M71-L76 HydrophobicContact CE-CD1 3.89Å; M71-L76 HydrophobicContact SD-CB 4.27Å; L76-L78 HydrophobicContact CD1-CD2 4.34Å; L76-L78 HydrophobicContact CD2-CD2 4.23Å; L76-L78 HydrophobicContact CG-CD2 4.12Å; L76-F153 HydrophobicContact CD2-CE1 3.41Å; L76-F153 VanDerWaalsContact CD2-CE1 3.41Å; L76-F153 HydrophobicContact CD2-CZ 3.49Å; L76-F153 VanDerWaalsContact CD2-CZ 3.49Å
77	Y	88.5	Confident	88.2	Confident	15 Å²	15	44 Å²	44	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.9	172.9	-61.6	-98.9	0	0	0	109.4	M1 K33 K34 L70 R75	M1-Y77 HydrophobicContact CE-CE2 4.34Å; K33-Y77 WeakPolarHBondContact O-CA 3.18Å; K34-Y77 HydrophobicContact CB-CD1 3.78Å; K34-Y77 HydrophobicContact CB-CE1 3.56Å; K34-Y77 HydrophobicContact CD-CE1 3.96Å; K34-Y77 HydrophobicContact CG-CD1 4.14Å; K34-Y77 HydrophobicContact CG-CE1 3.62Å; L70-Y77 PolarHBondContact N-O 3.13Å; L70-Y77 PolarHBondContact O-N 2.98Å; R75-Y77 HydrophobicContact CB-CE2 3.78Å
78	L	89.8	Confident	88.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.1	170.7	-53.4	-173.1	0	0	0	108.3	K33 I35 I52 L66 V69 L76 F80 L149	K33-L78 HydrophobicContact CB-CB 4.38Å; K33-L78 PolarHBondContact N-O 3.11Å; K33-L78 PolarHBondContact O-N 3.25Å; I35-L78 HydrophobicContact CD1-CD1 3.89Å; I35-L78 HydrophobicContact CD1-CG 4.16Å; I35-L78 HydrophobicContact CG1-CD1 4.24Å; I35-L78 HydrophobicContact CG1-CG 4.07Å; I52-L78 HydrophobicContact CD1-CD2 4.44Å; I52-L78 HydrophobicContact CG2-CD1 4.33Å; I52-L78 HydrophobicContact CG2-CD2 3.55Å; L66-L78 HydrophobicContact CD1-CB 3.87Å; V69-L78 HydrophobicContact CG1-CD2 4.03Å; V69-L78 HydrophobicContact CG2-CD2 4.08Å; L76-L78 HydrophobicContact CD1-CD2 4.34Å; L76-L78 HydrophobicContact CD2-CD2 4.23Å; L76-L78 HydrophobicContact CG-CD2 4.12Å; L78-F80 HydrophobicContact CB-CD2 4.15Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.8Å; L78-F80 HydrophobicContact CD1-CE2 4.2Å; L78-F80 HydrophobicContact CD1-CZ 4Å; L78-F80 HydrophobicContact CG-CE2 4.43Å; L78-L149 HydrophobicContact CD1-CD2 3.65Å
79	I	92.8	Very high	88.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.5	-178.1	-49	-57.6	0	0	0	108.1	Y4 V30 A31 M32 L66 L67 D68 L70	Y4-I79 HydrophobicContact CD1-CG2 4.31Å; Y4-I79 HydrophobicContact CE1-CG2 3.64Å; Y4-I79 HydrophobicContact CE2-CG1 4.33Å; V30-I79 HydrophobicContact CB-CG2 3.82Å; V30-I79 HydrophobicContact CG1-CG2 4.03Å; V30-I79 HydrophobicContact CG2-CG2 3.95Å; A31-I79 WeakPolarHBondContact O-CA 3.4Å; M32-I79 HydrophobicContact CB-CD1 4.01Å; M32-I79 HydrophobicContact CE-CD1 3.7Å; M32-I79 HydrophobicContact CG-CD1 3.82Å; L66-I79 CarbonylContact C-O 3.41Å; L67-I79 WeakPolarHBondContact CA-O 3.22Å; L67-I79 HydrophobicContact CB-CG2 4.35Å; L67-I79 WeakPolarHBondContact CB-O 3.36Å; L67-I79 PolarHBondContact N-O 3.23Å; D68-I79 HydrophobicContact CB-CB 3.96Å; D68-I79 HydrophobicContact CB-CG1 4.02Å; D68-I79 PolarHBondContact N-O 3.31Å; D68-I79 VanDerWaalsContact N-O 3.12Å; D68-I79 PolarHBondContact O-N 3.5Å; L70-I79 HydrophobicContact CD1-CD1 3.76Å; L70-I79 HydrophobicContact CD1-CG1 3.81Å; L70-I79 HydrophobicContact CG-CD1 4.29Å; L70-I79 HydrophobicContact CG-CG1 3.92Å
80	F	93	Very high	89	Confident	25 Å²	25	47.4 Å²	47.4	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.8	179.1	-62.1	-83.9	0	0	0	111	V30 A31 K33 V64 Q65 L66 L78	V30-F80 WeakPolarHBondContact CA-O 3.46Å; V30-F80 WeakPolarHBondContact CB-O 3.41Å; A31-F80 HydrophobicContact CB-CB 4.31Å; A31-F80 PolarHBondContact N-O 3.36Å; A31-F80 PolarHBondContact O-N 3.02Å; K33-F80 HydrophobicContact CB-CD2 4.38Å; K33-F80 HydrophobicContact CB-CE2 4.05Å; K33-F80 HydrophobicContact CD-CE2 4.37Å; V64-F80 HydrophobicContact CG1-CB 3.84Å; V64-F80 HydrophobicContact CG1-CD1 3.86Å; V64-F80 HydrophobicContact CG1-CG 4.16Å; Q65-F80 VanDerWaalsContact O-CA 3.29Å; Q65-F80 WeakPolarHBondContact O-CA 3.37Å; L66-F80 HydrophobicContact CB-CD1 4.1Å; L66-F80 HydrophobicContact CB-CE1 3.89Å; L66-F80 HydrophobicContact CD1-CD1 4.05Å; L66-F80 HydrophobicContact CD1-CE1 3.7Å; L66-F80 HydrophobicContact CD1-CE2 4.36Å; L66-F80 HydrophobicContact CD1-CZ 3.87Å; L66-F80 HydrophobicContact CG-CE1 4.36Å; L78-F80 HydrophobicContact CB-CD2 4.15Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.8Å; L78-F80 HydrophobicContact CD1-CE2 4.2Å; L78-F80 HydrophobicContact CD1-CZ 4Å; L78-F80 HydrophobicContact CG-CE2 4.43Å
81	E	92.1	Very high	89.3	Confident	34 Å²	34	46 Å²	46	16%	0.159	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	144.8	161.2	64.7	177.4	133.5	0	0	110.6	V64 Q65 L83 K143	V64-E81 WeakPolarHBondContact CA-OE1 3.43Å; V64-E81 HydrophobicContact CG1-CG 3.91Å; Q65-E81 HydrophobicContact CB-CG 4.32Å; Q65-E81 WeakPolarHBondContact CB-OE1 3Å; Q65-E81 PolarHBondContact N-OE1 3.42Å; Q65-E81 PolarHBondContact O-N 3.19Å; Q65-E81 VanDerWaalsContact O-N 3.12Å; E81-L83 HydrophobicContact CG-CD1 3.99Å; E81-K143 WeakPolarHBondContact OE1-CD 3.37Å; E81-K143 IonicContact OE1-NZ 2.79Å; E81-K143 PolarHBondContact OE1-NZ 2.73Å; E81-K143 WeakPolarHBondContact OE2-CE 3.44Å; E81-K143 IonicContact OE2-NZ 2.87Å; E81-K143 PolarHBondContact OE2-NZ 3.2Å
82	F	93	Very high	89.8	Confident	61 Å²	61	46.2 Å²	46.2	27%	0.268	23%	0.228	S	C	.	.			trans	-94.8	127.5	-180	179.3	-96.6	0	0	0	111	I10 K20 V29 A31	I10-F82 HydrophobicContact CD1-CD2 4.19Å; I10-F82 HydrophobicContact CD1-CE2 3.7Å; K20-F82 HydrophobicContact CB-CE2 4.33Å; K20-F82 HydrophobicContact CD-CE2 4.14Å; K20-F82 HydrophobicContact CD-CZ 4.11Å; K20-F82 HydrophobicContact CG-CD2 4.21Å; K20-F82 HydrophobicContact CG-CE2 4Å; K20-F82 HydrophobicContact CG-CZ 4.42Å; V29-F82 HydrophobicContact CB-CB 4.49Å; V29-F82 HydrophobicContact CG1-CB 3.94Å; V29-F82 HydrophobicContact CG1-CD1 3.8Å; V29-F82 HydrophobicContact CG1-CD2 4.43Å; V29-F82 HydrophobicContact CG1-CE1 4.44Å; V29-F82 HydrophobicContact CG1-CG 3.79Å; A31-F82 HydrophobicContact CB-CD2 4.33Å
83	L	91.8	Very high	90.5	Very high	18 Å²	18	46.9 Å²	46.9	9%	0.094	24%	0.24	C	C	.	.			trans	-115.1	143.7	166.3	-69.5	95	0	0	0	109.1	V64 E81 L135 D137 K143	V64-L83 HydrophobicContact CG2-CD1 4.02Å; E81-L83 HydrophobicContact CG-CD1 3.99Å; L83-L135 HydrophobicContact CB-CB 3.74Å; L83-L135 HydrophobicContact CB-CD1 4.17Å; L83-L135 HydrophobicContact CD1-CB 4.14Å; L83-L135 HydrophobicContact CD1-CD1 4.11Å; L83-L135 HydrophobicContact CD2-CB 3.88Å; L83-L135 HydrophobicContact CG-CB 4.13Å; L83-D137 HydrophobicContact CD2-CB 4.42Å; L83-K143 HydrophobicContact CD1-CD 4.23Å; L83-K143 HydrophobicContact CD2-CB 4.4Å; L83-K143 HydrophobicContact CD2-CD 4.2Å; L83-K143 HydrophobicContact CD2-CG 4.04Å
84	S	85.9	Confident	91.2	Very high	81 Å²	81	41 Å²	41	57%	0.566	21%	0.213	S	C	*	.	S	Bend	trans	-77.4	-22.9	-168.2	47.7	0	0	0	0	114.4
85	M	91.5	Very high	92.1	Very high	70 Å²	70	41.1 Å²	41.1	35%	0.345	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.7	-169.6	-166.4	174.5	-62.7	0	0	111.1	K89 Y90 L135 I136	M85-K89 HydrophobicContact CG-CB 4.02Å; M85-Y90 HydrophobicContact SD-CD2 4.09Å; M85-Y90 HydrophobicContact SD-CG 4.47Å; M85-L135 WeakPolarHBondContact O-CA 3.42Å; M85-I136 HydrophobicContact CB-CD1 4.48Å; M85-I136 HydrophobicContact CB-CG1 3.94Å; M85-I136 HydrophobicContact CG-CD1 4.42Å; M85-I136 HydrophobicContact CG-CG1 4.33Å; M85-I136 PolarHBondContact O-N 3.48Å; M85-I136 HydrophobicContact SD-CD1 4.26Å
86	D	94.3	Very high	92.6	Very high	20 Å²	20	43 Å²	43	11%	0.107	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.1	167.6	59	75.3	0	0	0	110.4	K88 K89 Y90 L134 L135	D86-K88 PolarHBondContact O-N 3.39Å; D86-K88 WeakPolarHBondContact OD1-CB 3.38Å; D86-K88 PolarHBondContact OD1-N 2.86Å; D86-K89 PolarHBondContact O-N 2.95Å; D86-K89 WeakPolarHBondContact OD1-CG 3.44Å; D86-K89 PolarHBondContact OD1-N 3.21Å; D86-K89 WeakPolarHBondContact OD2-CD 3.49Å; D86-K89 WeakPolarHBondContact OD2-CE 3.2Å; D86-K89 IonicContact OD2-NZ 2.71Å; D86-K89 PolarHBondContact OD2-NZ 3.43Å; D86-Y90 PolarHBondContact O-N 2.99Å; D86-Y90 VanDerWaalsContact O-N 3.1Å; D86-L134 CarbonylContact C-O 3.6Å; D86-L134 WeakPolarHBondContact CA-O 3.46Å; D86-L135 HydrophobicContact CB-CD2 3.83Å
87	L	96.1	Very high	92.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-30.6	-176.6	179.4	66.8	0	0	0	111.7	Y90 L91 M100 Y108 P131 L134 I142 I193 L197	L87-Y90 HydrophobicContact CD1-CD1 4.19Å; L87-Y90 PolarHBondContact O-N 3.47Å; L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 2.84Å; L87-M100 HydrophobicContact CD1-CE 4.3Å; L87-Y108 HydrophobicContact CD1-CD2 4.25Å; L87-Y108 HydrophobicContact CD1-CE2 4.21Å; L87-P131 HydrophobicContact CB-CB 4.16Å; L87-P131 WeakPolarHBondContact CB-O 3.42Å; L87-P131 HydrophobicContact CD2-CB 4.17Å; L87-P131 HydrophobicContact CG-CB 4.21Å; L87-P131 PolarHBondContact N-O 2.8Å; L87-L134 HydrophobicContact CB-CB 3.89Å; L87-L134 HydrophobicContact CD2-CB 4.29Å; L87-L134 HydrophobicContact CD2-CD1 3.63Å; L87-L134 PolarHBondContact N-O 3Å; L87-I142 HydrophobicContact CD1-CD1 4.4Å; L87-I142 HydrophobicContact CD2-CD1 4.26Å; L87-I193 HydrophobicContact CD2-CG2 4.13Å; L87-L197 HydrophobicContact CD1-CD2 3.64Å; L87-L197 HydrophobicContact CD2-CD2 3.71Å; L87-L197 HydrophobicContact CD2-CG 4.38Å; L87-L197 HydrophobicContact CG-CD2 4.18Å
88	K	94.8	Very high	93.2	Very high	41 Å²	41	50.9 Å²	50.9	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-51.9	177.5	-178.1	53	-178.3	152.3	0	111	D86 Y90 L91 D92 P131 Q132	D86-K88 PolarHBondContact O-N 3.39Å; D86-K88 WeakPolarHBondContact OD1-CB 3.38Å; D86-K88 PolarHBondContact OD1-N 2.86Å; K88-Y90 VanDerWaalsContact C-N 3.25Å; K88-Y90 PolarHBondContact O-N 3.41Å; K88-L91 PolarHBondContact O-N 3.28Å; K88-D92 WeakPolarHBondContact CE-OD1 3.41Å; K88-D92 WeakPolarHBondContact CE-OD2 3.44Å; K88-D92 IonicContact NZ-OD1 3.51Å; K88-D92 PolarHBondContact NZ-OD1 2.84Å; K88-D92 IonicContact NZ-OD2 3.79Å; K88-D92 PolarHBondContact NZ-OD2 3.2Å; K88-D92 VanDerWaalsContact O-CG 3.31Å; K88-D92 PolarHBondContact O-N 3.39Å; K88-P131 HydrophobicContact CB-CB 3.91Å; K88-P131 PolarHBondContact N-O 3.29Å; K88-Q132 HydrophobicContact CB-CG 3.98Å; K88-Q132 HydrophobicContact CG-CG 4.29Å
89	K	94.1	Very high	93.4	Very high	117 Å²	117	56.7 Å²	56.7	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-38.2	175.7	-73.5	176.9	-169.9	137.7	0	112	M85 D86 D92 S93	M85-K89 HydrophobicContact CG-CB 4.02Å; D86-K89 PolarHBondContact O-N 2.95Å; D86-K89 WeakPolarHBondContact OD1-CG 3.44Å; D86-K89 PolarHBondContact OD1-N 3.21Å; D86-K89 WeakPolarHBondContact OD2-CD 3.49Å; D86-K89 WeakPolarHBondContact OD2-CE 3.2Å; D86-K89 IonicContact OD2-NZ 2.71Å; D86-K89 PolarHBondContact OD2-NZ 3.43Å; K89-D92 PolarHBondContact O-N 3.25Å; K89-S93 WeakPolarHBondContact O-CB 3.08Å; K89-S93 PolarHBondContact O-N 3.49Å
90	Y	95.3	Very high	93.5	Very high	31 Å²	31	57.2 Å²	57.2	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-51	176	-177.6	-114.5	0	0	0	111.8	M85 D86 L87 K88 D92 S93 I94 M100 L104 Y108 I136 M302	M85-Y90 HydrophobicContact SD-CD2 4.09Å; M85-Y90 HydrophobicContact SD-CG 4.47Å; D86-Y90 PolarHBondContact O-N 2.99Å; D86-Y90 VanDerWaalsContact O-N 3.1Å; L87-Y90 HydrophobicContact CD1-CD1 4.19Å; L87-Y90 PolarHBondContact O-N 3.47Å; K88-Y90 VanDerWaalsContact C-N 3.25Å; K88-Y90 PolarHBondContact O-N 3.41Å; Y90-D92 VanDerWaalsContact C-N 3.3Å; Y90-D92 PolarHBondContact O-N 3.32Å; Y90-S93 WeakPolarHBondContact O-CB 3.35Å; Y90-S93 PolarHBondContact O-N 2.93Å; Y90-S93 VanDerWaalsContact O-N 3.07Å; Y90-S93 PolarHBondContact O-OG 3.44Å; Y90-I94 HydrophobicContact CE1-CD1 4.36Å; Y90-I94 PolarHBondContact O-N 2.82Å; Y90-M100 HydrophobicContact CD1-CE 3.66Å; Y90-M100 HydrophobicContact CE1-CE 3.43Å; Y90-M100 VanDerWaalsContact CE1-CE 3.43Å; Y90-M100 HydrophobicContact CE1-CG 4.32Å; Y90-M100 HydrophobicContact CE1-SD 4.06Å; Y90-L104 HydrophobicContact CE1-CD2 4.15Å; Y90-L104 VanDerWaalsContact OH-CD2 3.28Å; Y90-L104 WeakPolarHBondContact OH-CD2 3.45Å; Y90-Y108 HydrophobicContact CD1-CE2 4.44Å; Y90-Y108 HydrophobicContact CE1-CE2 4.24Å; Y90-I136 VanDerWaalsContact CB-CD1 3.48Å; Y90-I136 HydrophobicContact CD1-CD1 4.07Å; Y90-I136 HydrophobicContact CD2-CD1 3.81Å; Y90-I136 HydrophobicContact CG-CD1 3.51Å; Y90-M302 HydrophobicContact CE2-SD 4.24Å
91	L	95.3	Very high	93.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-40	177.3	-70.5	169.5	0	0	0	112.9	L87 K88 S93 I94 M100 E196 K200	L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CG-CD1 4.12Å; L87-L91 HydrophobicContact CG-CG 4.35Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.46Å; L87-L91 PolarHBondContact O-N 2.84Å; K88-L91 PolarHBondContact O-N 3.28Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.9Å; L91-I94 HydrophobicContact CD2-CD1 4.39Å; L91-I94 PolarHBondContact O-N 2.93Å; L91-M100 HydrophobicContact CD2-CE 3.5Å; L91-M100 VanDerWaalsContact CD2-CE 3.5Å; L91-M100 HydrophobicContact CG-CE 4.42Å; L91-E196 HydrophobicContact CD1-CG 3.94Å; L91-K200 HydrophobicContact CD2-CG 4.36Å; L91-K200 WeakPolarHBondContact O-CE 3.39Å
92	D	94.6	Very high	93.6	Very high	102 Å²	102	62.5 Å²	62.5	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-70.3	-25.9	178.2	-67.4	-19.6	0	0	0	112.3	K88 K89 Y90	K88-D92 WeakPolarHBondContact CE-OD1 3.41Å; K88-D92 WeakPolarHBondContact CE-OD2 3.44Å; K88-D92 IonicContact NZ-OD1 3.51Å; K88-D92 PolarHBondContact NZ-OD1 2.84Å; K88-D92 IonicContact NZ-OD2 3.79Å; K88-D92 PolarHBondContact NZ-OD2 3.2Å; K88-D92 VanDerWaalsContact O-CG 3.31Å; K88-D92 PolarHBondContact O-N 3.39Å; K89-D92 PolarHBondContact O-N 3.25Å; Y90-D92 VanDerWaalsContact C-N 3.3Å; Y90-D92 PolarHBondContact O-N 3.32Å
93	S	94.9	Very high	93.5	Very high	73 Å²	73	63.3 Å²	63.3	51%	0.51	36%	0.36	S	S	.	.	H	α-helix	trans	-76.5	-22.4	177.4	78.7	0	0	0	0	113.8	K89 Y90 L91 P95	K89-S93 WeakPolarHBondContact O-CB 3.08Å; K89-S93 PolarHBondContact O-N 3.49Å; Y90-S93 WeakPolarHBondContact O-CB 3.35Å; Y90-S93 PolarHBondContact O-N 2.93Å; Y90-S93 VanDerWaalsContact O-N 3.07Å; Y90-S93 PolarHBondContact O-OG 3.44Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.9Å; S93-P95 WeakPolarHBondContact O-CD 3.48Å
94	I	94	Very high	93.6	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.097	36%	0.356	C	S	.	.	S	Bend	trans	-65.6	127.1	178.4	-60.7	169.9	0	0	0	108.7	Y90 L91 Q98 M100 K200	Y90-I94 HydrophobicContact CE1-CD1 4.36Å; Y90-I94 PolarHBondContact O-N 2.82Å; L91-I94 HydrophobicContact CD2-CD1 4.39Å; L91-I94 PolarHBondContact O-N 2.93Å; I94-Q98 HydrophobicContact CG2-CB 3.86Å; I94-Q98 WeakPolarHBondContact CG2-O 3.41Å; I94-M100 HydrophobicContact CD1-CB 4.11Å; I94-M100 HydrophobicContact CD1-CE 4.33Å; I94-K200 HydrophobicContact CB-CD 4.13Å; I94-K200 HydrophobicContact CD1-CD 4.43Å; I94-K200 HydrophobicContact CG2-CD 3.93Å; I94-K200 PolarHBondContact O-NZ 3.15Å
95	P	95.6	Very high	94.1	Very high	68 Å²	68	58.9 Å²	58.9	44%	0.442	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-56.7	153.1	-178.9	-26.9	35	0	0	0	114.2	S93 G97 Q98 K200	S93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-G97 PolarHBondContact O-N 2.83Å; P95-Q98 HydrophobicContact CB-CG 4.32Å; P95-Q98 PolarHBondContact O-N 2.97Å; P95-Q98 VanDerWaalsContact O-N 3.07Å; P95-K200 PolarHBondContact O-NZ 3.45Å
96	S	92.8	Very high	94.3	Very high	125 Å²	125	55.9 Å²	55.9	87%	0.874	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	134.8	172.7	-68.7	0	0	0	0	111.1	Q98	S96-Q98 PolarHBondContact O-N 3.25Å
97	G	90.6	Very high	94.4	Very high	70 Å²	70	55.1 Å²	55.1	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-8.4	-176.1	0	0	0	0	0	114.8	P95	P95-G97 PolarHBondContact O-N 2.83Å
98	Q	94.3	Very high	94.4	Very high	113 Å²	113	55.1 Å²	55.1	53%	0.528	31%	0.312	S	S	.	.			trans	-103.4	154	171.7	-61.7	-176.2	13.9	0	0	111.2	I94 P95 S96 K200	I94-Q98 HydrophobicContact CG2-CB 3.86Å; I94-Q98 WeakPolarHBondContact CG2-O 3.41Å; P95-Q98 HydrophobicContact CB-CG 4.32Å; P95-Q98 PolarHBondContact O-N 2.97Å; P95-Q98 VanDerWaalsContact O-N 3.07Å; S96-Q98 PolarHBondContact O-N 3.25Å; Q98-K200 WeakPolarHBondContact O-CD 3.37Å; Q98-K200 PolarHBondContact O-NZ 2.8Å
99	Y	95	Very high	94.6	Very high	121 Å²	121	53.4 Å²	53.4	48%	0.475	30%	0.304	S	S	.	.			trans	-127.9	162.7	-179.7	-61.3	-84.2	0	0	0	109.8	K200 N255	Y99-K200 HydrophobicContact CD1-CD 4.28Å; Y99-K200 HydrophobicContact CD1-CG 4.46Å; Y99-N255 WeakPolarHBondContact CD2-ND2 3.4Å; Y99-N255 VanDerWaalsContact CG-ND2 3.32Å
100	M	94.2	Very high	94.8	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.059	28%	0.284	C	S	.	.			trans	-63.4	143.6	172.6	-167.4	176.5	-52.9	0	0	110	L87 Y90 L91 I94 L104 V105 Y108 L197	L87-M100 HydrophobicContact CD1-CE 4.3Å; Y90-M100 HydrophobicContact CD1-CE 3.66Å; Y90-M100 HydrophobicContact CE1-CE 3.43Å; Y90-M100 VanDerWaalsContact CE1-CE 3.43Å; Y90-M100 HydrophobicContact CE1-CG 4.32Å; Y90-M100 HydrophobicContact CE1-SD 4.06Å; L91-M100 HydrophobicContact CD2-CE 3.5Å; L91-M100 VanDerWaalsContact CD2-CE 3.5Å; L91-M100 HydrophobicContact CG-CE 4.42Å; I94-M100 HydrophobicContact CD1-CB 4.11Å; I94-M100 HydrophobicContact CD1-CE 4.33Å; M100-L104 HydrophobicContact CG-CB 4.15Å; M100-L104 HydrophobicContact CG-CD2 3.89Å; M100-L104 HydrophobicContact CG-CG 4.13Å; M100-L104 HydrophobicContact SD-CB 4.39Å; M100-L104 HydrophobicContact SD-CD2 4.06Å; M100-L104 HydrophobicContact SD-CG 3.95Å; M100-V105 HydrophobicContact CB-CG2 3.75Å; M100-V105 HydrophobicContact CG-CG2 3.82Å; M100-V105 HydrophobicContact SD-CG2 3.77Å; M100-Y108 HydrophobicContact CE-CD2 4.5Å; M100-Y108 HydrophobicContact SD-CD2 3.86Å; M100-Y108 HydrophobicContact SD-CE2 4.11Å; M100-L197 HydrophobicContact CE-CD2 3.57Å; M100-L197 HydrophobicContact SD-CD2 3.97Å
101	D	92.9	Very high	94.9	Very high	87 Å²	87	47.4 Å²	47.4	47%	0.465	28%	0.278	S	S	.	.			trans	-55.6	129.3	172.9	-179.4	-81.2	0	0	0	110.2	M103 L104 V105	D101-M103 PolarHBondContact O-N 2.9Å; D101-M103 WeakPolarHBondContact OD1-CA 3.25Å; D101-M103 WeakPolarHBondContact OD1-CB 3.47Å; D101-M103 PolarHBondContact OD1-N 3.2Å; D101-L104 HydrophobicContact CB-CB 4.08Å; D101-L104 WeakPolarHBondContact O-CA 3.11Å; D101-L104 WeakPolarHBondContact O-CB 3.2Å; D101-L104 PolarHBondContact O-N 3.04Å; D101-L104 PolarHBondContact OD1-N 2.86Å; D101-V105 PolarHBondContact O-N 2.81Å
102	P	93.8	Very high	95.1	Very high	83 Å²	83	47.4 Å²	47.4	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-58.2	-31.7	-177.4	-27.1	35.3	0	0	0	114.4	V105 K106	P102-V105 PolarHBondContact O-N 2.89Å; P102-K106 WeakPolarHBondContact O-CB 3.22Å; P102-K106 PolarHBondContact O-N 2.82Å
103	M	92.6	Very high	95.3	Very high	77 Å²	77	42.6 Å²	42.6	38%	0.379	25%	0.253	S	S	.	.	H	α-helix	trans	-72.3	-36.3	175.8	-167.4	58.2	69.3	0	0	111	D101 K106 S107 L290	D101-M103 PolarHBondContact O-N 2.9Å; D101-M103 WeakPolarHBondContact OD1-CA 3.25Å; D101-M103 WeakPolarHBondContact OD1-CB 3.47Å; D101-M103 PolarHBondContact OD1-N 3.2Å; M103-K106 PolarHBondContact O-N 3.49Å; M103-K106 HydrophobicContact SD-CD 4.21Å; M103-S107 WeakPolarHBondContact O-CB 3.19Å; M103-S107 PolarHBondContact O-N 2.93Å; M103-L290 HydrophobicContact SD-CD1 3.75Å
104	L	93.4	Very high	95.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-41.7	171.9	-174.5	60.5	0	0	0	111.7	Y90 M100 D101 K106 S107 Y108	Y90-L104 HydrophobicContact CE1-CD2 4.15Å; Y90-L104 VanDerWaalsContact OH-CD2 3.28Å; Y90-L104 WeakPolarHBondContact OH-CD2 3.45Å; M100-L104 HydrophobicContact CG-CB 4.15Å; M100-L104 HydrophobicContact CG-CD2 3.89Å; M100-L104 HydrophobicContact CG-CG 4.13Å; M100-L104 HydrophobicContact SD-CB 4.39Å; M100-L104 HydrophobicContact SD-CD2 4.06Å; M100-L104 HydrophobicContact SD-CG 3.95Å; D101-L104 HydrophobicContact CB-CB 4.08Å; D101-L104 WeakPolarHBondContact O-CA 3.11Å; D101-L104 WeakPolarHBondContact O-CB 3.2Å; D101-L104 PolarHBondContact O-N 3.04Å; D101-L104 PolarHBondContact OD1-N 2.86Å; L104-K106 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 2.96Å; L104-S107 PolarHBondContact O-N 2.61Å; L104-Y108 HydrophobicContact CD1-CD1 4.14Å; L104-Y108 HydrophobicContact CD1-CD2 4.35Å; L104-Y108 HydrophobicContact CD1-CE1 3.82Å; L104-Y108 HydrophobicContact CD1-CE2 4.02Å; L104-Y108 HydrophobicContact CD1-CG 4.42Å; L104-Y108 HydrophobicContact CD2-CE2 4.21Å; L104-Y108 HydrophobicContact CG-CD2 4.17Å; L104-Y108 HydrophobicContact CG-CE2 3.95Å; L104-Y108 WeakPolarHBondContact O-CB 3.49Å; L104-Y108 PolarHBondContact O-N 2.74Å
105	V	95.9	Very high	95.4	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-46.4	172.5	172.8	0	0	0	0	110.7	M100 D101 P102 L109 F194 L197	M100-V105 HydrophobicContact CB-CG2 3.75Å; M100-V105 HydrophobicContact CG-CG2 3.82Å; M100-V105 HydrophobicContact SD-CG2 3.77Å; D101-V105 PolarHBondContact O-N 2.81Å; P102-V105 PolarHBondContact O-N 2.89Å; V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 PolarHBondContact O-N 3.31Å; V105-F194 HydrophobicContact CG1-CD2 4.04Å; V105-F194 HydrophobicContact CG1-CE2 3.84Å; V105-L197 HydrophobicContact CG1-CB 3.92Å; V105-L197 HydrophobicContact CG1-CD1 4.48Å; V105-L197 HydrophobicContact CG2-CB 4.24Å
106	K	96.1	Very high	95.4	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-45	178.8	-170.4	175.5	-67.4	-172.3	0	111.9	P102 M103 L104 L109 Y110 Y286 F287 D289 L290	P102-K106 WeakPolarHBondContact O-CB 3.22Å; P102-K106 PolarHBondContact O-N 2.82Å; M103-K106 PolarHBondContact O-N 3.49Å; M103-K106 HydrophobicContact SD-CD 4.21Å; L104-K106 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 2.96Å; K106-L109 PolarHBondContact O-N 3.38Å; K106-Y110 WeakPolarHBondContact O-CB 3.48Å; K106-Y110 PolarHBondContact O-N 3.2Å; K106-Y286 HydrophobicContact CB-CE1 4.09Å; K106-Y286 HydrophobicContact CD-CE1 4.45Å; K106-Y286 WeakPolarHBondContact CD-O 3.4Å; K106-Y286 WeakPolarHBondContact CE-O 3.42Å; K106-Y286 HydrophobicContact CG-CD1 4.23Å; K106-Y286 HydrophobicContact CG-CE1 3.81Å; K106-Y286 PolarHBondContact NZ-O 2.86Å; K106-F287 HydrophobicContact CD-CD1 4.36Å; K106-F287 HydrophobicContact CG-CD1 3.6Å; K106-F287 HydrophobicContact CG-CE1 3.93Å; K106-D289 IonicContact NZ-OD1 3.37Å; K106-D289 PolarHBondContact NZ-OD1 2.88Å; K106-D289 IonicContact NZ-OD2 3.46Å; K106-D289 PolarHBondContact NZ-OD2 2.93Å; K106-L290 HydrophobicContact CD-CB 3.99Å; K106-L290 HydrophobicContact CG-CB 4.25Å; K106-L290 HydrophobicContact CG-CD1 4.32Å; K106-L290 HydrophobicContact CG-CD2 4.29Å
107	S	95.8	Very high	95.6	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.028	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-49.5	175.4	176	0	0	0	0	111.9	M103 L104 Y110 Q111 L295	M103-S107 WeakPolarHBondContact O-CB 3.19Å; M103-S107 PolarHBondContact O-N 2.93Å; L104-S107 PolarHBondContact O-N 2.61Å; S107-Y110 PolarHBondContact O-N 3.41Å; S107-Q111 WeakPolarHBondContact O-CB 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.48Å; S107-Q111 PolarHBondContact O-N 3.29Å; S107-Q111 PolarHBondContact OG-NE2 2.99Å; S107-L295 WeakPolarHBondContact OG-CD2 3.22Å
108	Y	97.3	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-44.5	178.6	-76.7	-13.5	0	0	0	112.9	L87 Y90 M100 L104 Y110 Q111 I112 I136 G140 I142 L197 M302	L87-Y108 HydrophobicContact CD1-CD2 4.25Å; L87-Y108 HydrophobicContact CD1-CE2 4.21Å; Y90-Y108 HydrophobicContact CD1-CE2 4.44Å; Y90-Y108 HydrophobicContact CE1-CE2 4.24Å; M100-Y108 HydrophobicContact CE-CD2 4.5Å; M100-Y108 HydrophobicContact SD-CD2 3.86Å; M100-Y108 HydrophobicContact SD-CE2 4.11Å; L104-Y108 HydrophobicContact CD1-CD1 4.14Å; L104-Y108 HydrophobicContact CD1-CD2 4.35Å; L104-Y108 HydrophobicContact CD1-CE1 3.82Å; L104-Y108 HydrophobicContact CD1-CE2 4.02Å; L104-Y108 HydrophobicContact CD1-CG 4.42Å; L104-Y108 HydrophobicContact CD2-CE2 4.21Å; L104-Y108 HydrophobicContact CG-CD2 4.17Å; L104-Y108 HydrophobicContact CG-CE2 3.95Å; L104-Y108 WeakPolarHBondContact O-CB 3.49Å; L104-Y108 PolarHBondContact O-N 2.74Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 2.85Å; Y108-Q111 PolarHBondContact O-N 3.28Å; Y108-I112 WeakPolarHBondContact O-CB 3.33Å; Y108-I112 WeakPolarHBondContact O-CD1 3.2Å; Y108-I112 WeakPolarHBondContact O-CG1 2.93Å; Y108-I112 PolarHBondContact O-N 3.01Å; Y108-I136 HydrophobicContact CE1-CG2 4.3Å; Y108-I136 HydrophobicContact CE2-CG2 4.28Å; Y108-G140 WeakPolarHBondContact CE1-O 3.49Å; Y108-I142 HydrophobicContact CD1-CB 3.74Å; Y108-I142 HydrophobicContact CD1-CD1 4.24Å; Y108-I142 HydrophobicContact CD1-CG2 3.7Å; Y108-I142 HydrophobicContact CD2-CD1 4.23Å; Y108-I142 HydrophobicContact CE1-CB 3.96Å; Y108-I142 HydrophobicContact CE1-CG2 4.37Å; Y108-I142 HydrophobicContact CG-CB 4.33Å; Y108-I142 HydrophobicContact CG-CD1 3.99Å; Y108-I142 HydrophobicContact CG-CG2 4.22Å; Y108-L197 HydrophobicContact CD2-CD2 4.26Å; Y108-M302 WeakPolarHBondContact OH-CE 3.38Å
109	L	98.3	Very high	95.6	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.4	-177.9	62.9	0	0	0	111.5	V105 K106 I112 L113 I190 F194 L263 Y286 F287	V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 PolarHBondContact O-N 3.31Å; K106-L109 PolarHBondContact O-N 3.38Å; L109-I112 PolarHBondContact O-N 2.93Å; L109-L113 HydrophobicContact CD1-CD1 4.44Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.16Å; L109-L113 PolarHBondContact O-N 3.33Å; L109-I190 HydrophobicContact CD1-CG2 3.61Å; L109-F194 HydrophobicContact CD1-CB 3.9Å; L109-F194 HydrophobicContact CD1-CD2 4.46Å; L109-F194 HydrophobicContact CD1-CG 4.1Å; L109-F194 HydrophobicContact CD2-CB 4.38Å; L109-F194 HydrophobicContact CD2-CD1 3.73Å; L109-F194 HydrophobicContact CD2-CD2 3.65Å; L109-F194 HydrophobicContact CD2-CE1 3.8Å; L109-F194 HydrophobicContact CD2-CE2 3.74Å; L109-F194 HydrophobicContact CD2-CG 3.66Å; L109-F194 HydrophobicContact CD2-CZ 3.82Å; L109-F194 HydrophobicContact CG-CD2 4.46Å; L109-F194 HydrophobicContact CG-CG 4.45Å; L109-L263 HydrophobicContact CD2-CD2 3.8Å; L109-Y286 HydrophobicContact CD2-CD1 4.35Å; L109-Y286 HydrophobicContact CD2-CE1 4.06Å; L109-F287 HydrophobicContact CB-CE1 4.35Å; L109-F287 HydrophobicContact CB-CZ 4.37Å; L109-F287 HydrophobicContact CD2-CE1 4.18Å; L109-F287 HydrophobicContact CD2-CZ 3.67Å; L109-F287 HydrophobicContact CG-CE1 4.32Å; L109-F287 HydrophobicContact CG-CZ 3.85Å
110	Y	98.3	Very high	95.4	Very high	22 Å²	22	21.2 Å²	21.2	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-47.5	179.3	-166.7	-88.8	0	0	0	111.8	K106 S107 Y108 I112 L113 E114 M282 F287 L290 K292 L295	K106-Y110 WeakPolarHBondContact O-CB 3.48Å; K106-Y110 PolarHBondContact O-N 3.2Å; S107-Y110 PolarHBondContact O-N 3.41Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 2.85Å; Y110-I112 PolarHBondContact O-N 3.05Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 2.98Å; Y110-L113 VanDerWaalsContact O-N 3.13Å; Y110-E114 HydrophobicContact CD1-CG 4.02Å; Y110-E114 WeakPolarHBondContact CD1-OE2 3.42Å; Y110-E114 HydrophobicContact CE1-CG 3.81Å; Y110-E114 WeakPolarHBondContact CE1-OE2 3.37Å; Y110-E114 PolarHBondContact O-N 2.87Å; Y110-M282 HydrophobicContact CE1-CE 3.94Å; Y110-M282 HydrophobicContact CE2-CB 4.09Å; Y110-M282 HydrophobicContact CE2-CE 4.18Å; Y110-M282 HydrophobicContact CE2-CG 4.34Å; Y110-M282 WeakPolarHBondContact OH-CE 3.4Å; Y110-F287 HydrophobicContact CD2-CB 4.09Å; Y110-F287 AromaticContact CD2-CD1 3.67Å; Y110-F287 HydrophobicContact CD2-CD1 3.67Å; Y110-F287 HydrophobicContact CD2-CD2 4.02Å; Y110-F287 HydrophobicContact CD2-CE1 4.01Å; Y110-F287 HydrophobicContact CD2-CE2 4.33Å; Y110-F287 AromaticContact CD2-CG 3.67Å; Y110-F287 HydrophobicContact CD2-CG 3.67Å; Y110-F287 HydrophobicContact CD2-CZ 4.32Å; Y110-F287 HydrophobicContact CE2-CB 4.31Å; Y110-F287 HydrophobicContact CE2-CD2 4.5Å; Y110-F287 HydrophobicContact CE2-CG 4.27Å; Y110-F287 HydrophobicContact CG-CD1 4.33Å; Y110-F287 HydrophobicContact CG-CE1 4.44Å; Y110-L290 HydrophobicContact CD1-CD2 4.35Å; Y110-L290 HydrophobicContact CD2-CD2 4.08Å; Y110-L290 HydrophobicContact CG-CD2 3.76Å; Y110-K292 HydrophobicContact CE1-CG 4.23Å; Y110-K292 HydrophobicContact CE2-CD 4.28Å; Y110-K292 HydrophobicContact CE2-CG 4.44Å; Y110-K292 WeakPolarHBondContact OH-CD 3.27Å; Y110-L295 HydrophobicContact CD1-CD1 3.33Å; Y110-L295 HydrophobicContact CE1-CD1 3.72Å; Y110-L295 HydrophobicContact CG-CD1 4.16Å
111	Q	97.8	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-38.8	177.1	-77.2	-177.1	72	0	0	113.1	N62 S107 Y108 E114 G115 G140 I142 L295	N62-Q111 VanDerWaalsContact CB-O 3.22Å; N62-Q111 WeakPolarHBondContact CB-O 3.49Å; N62-Q111 VanDerWaalsContact ND2-CB 3.35Å; N62-Q111 WeakPolarHBondContact ND2-CB 3.45Å; N62-Q111 WeakPolarHBondContact ND2-CG 2.91Å; N62-Q111 PolarHBondContact ND2-OE1 2.88Å; S107-Q111 WeakPolarHBondContact O-CB 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.48Å; S107-Q111 PolarHBondContact O-N 3.29Å; S107-Q111 PolarHBondContact OG-NE2 2.99Å; Y108-Q111 PolarHBondContact O-N 3.28Å; Q111-E114 PolarHBondContact O-N 3.42Å; Q111-G115 PolarHBondContact O-N 3.4Å; Q111-G140 PolarHBondContact NE2-O 3.47Å; Q111-I142 HydrophobicContact CB-CG2 3.36Å; Q111-I142 HydrophobicContact CG-CG2 4.28Å; Q111-I142 VanDerWaalsContact OE1-N 3.08Å; Q111-L295 HydrophobicContact CG-CD2 4.44Å
112	I	98.4	Very high	94.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-44.6	172.8	-70.7	163.8	0	0	0	110.3	Y108 L109 Y110 G115 I116 L134 I142 L144 I190 I193	Y108-I112 WeakPolarHBondContact O-CB 3.33Å; Y108-I112 WeakPolarHBondContact O-CD1 3.2Å; Y108-I112 WeakPolarHBondContact O-CG1 2.93Å; Y108-I112 PolarHBondContact O-N 3.01Å; L109-I112 PolarHBondContact O-N 2.93Å; Y110-I112 PolarHBondContact O-N 3.05Å; I112-G115 PolarHBondContact O-N 2.99Å; I112-I116 PolarHBondContact O-N 3.34Å; I112-L134 HydrophobicContact CD1-CD1 3.7Å; I112-L134 HydrophobicContact CD1-CD2 4.44Å; I112-L134 HydrophobicContact CG1-CD1 4.3Å; I112-L134 HydrophobicContact CG1-CD2 4.13Å; I112-I142 HydrophobicContact CD1-CD1 3.92Å; I112-I142 HydrophobicContact CG1-CD1 4.13Å; I112-I142 HydrophobicContact CG1-CG1 4.35Å; I112-I142 HydrophobicContact CG1-CG2 4.15Å; I112-L144 HydrophobicContact CG1-CD2 4.5Å; I112-L144 HydrophobicContact CG2-CD2 4.18Å; I112-I190 HydrophobicContact CG2-CB 4.49Å; I112-I190 HydrophobicContact CG2-CD1 3.8Å; I112-I190 HydrophobicContact CG2-CG1 3.67Å; I112-I190 HydrophobicContact CG2-CG2 4.05Å; I112-I193 HydrophobicContact CD1-CG2 4.4Å
113	L	98.6	Very high	94.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.6	-71.2	168.3	0	0	0	112.2	L109 Y110 I116 L117 I190 A278 A281 M282 F287	L109-L113 HydrophobicContact CD1-CD1 4.44Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.16Å; L109-L113 PolarHBondContact O-N 3.33Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 2.98Å; Y110-L113 VanDerWaalsContact O-N 3.13Å; L113-I116 WeakPolarHBondContact O-CG2 3.25Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 PolarHBondContact O-N 3.29Å; L113-I190 HydrophobicContact CD2-CD1 4.42Å; L113-I190 HydrophobicContact CD2-CG2 4.12Å; L113-A278 HydrophobicContact CD2-CB 4.2Å; L113-A281 HydrophobicContact CD1-CB 3.85Å; L113-A281 HydrophobicContact CD2-CB 3.9Å; L113-M282 HydrophobicContact CB-CG 3.64Å; L113-M282 HydrophobicContact CB-SD 4.33Å; L113-M282 HydrophobicContact CD1-CG 4.32Å; L113-F287 HydrophobicContact CD1-CE2 3.88Å; L113-F287 HydrophobicContact CD1-CZ 3.77Å
114	E	96.9	Very high	94	Very high	54 Å²	54	31.3 Å²	31.3	25%	0.252	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-50.4	173.8	-78.9	-170.8	118.9	0	0	111.8	Y110 Q111 I116 L117 F118 M282	Y110-E114 HydrophobicContact CD1-CG 4.02Å; Y110-E114 WeakPolarHBondContact CD1-OE2 3.42Å; Y110-E114 HydrophobicContact CE1-CG 3.81Å; Y110-E114 WeakPolarHBondContact CE1-OE2 3.37Å; Y110-E114 PolarHBondContact O-N 2.87Å; Q111-E114 PolarHBondContact O-N 3.42Å; E114-I116 VanDerWaalsContact C-N 3.35Å; E114-I116 PolarHBondContact O-N 2.99Å; E114-L117 PolarHBondContact O-N 3.47Å; E114-F118 PolarHBondContact O-N 3Å; E114-M282 HydrophobicContact CB-CE 4.47Å; E114-M282 HydrophobicContact CG-CE 3.26Å; E114-M282 HydrophobicContact CG-SD 3.9Å
115	G	95.7	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-46.6	177.3	0	0	0	0	0	112.2	Q111 I112 F118 C119 L144	Q111-G115 PolarHBondContact O-N 3.4Å; I112-G115 PolarHBondContact O-N 2.99Å; G115-F118 WeakPolarHBondContact O-CB 3.18Å; G115-F118 PolarHBondContact O-N 2.82Å; G115-C119 PolarHBondContact O-N 2.87Å; G115-C119 PolarHBondContact O-SG 2.78Å; G115-L144 VanDerWaalsContact C-CD1 3.47Å
116	I	95.8	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.7	-35.3	-176.9	-159	60.4	0	0	0	111.8	I112 L113 E114 F118 C119 H120 H126 L129 L144 D186 I190 A278	I112-I116 PolarHBondContact O-N 3.34Å; L113-I116 WeakPolarHBondContact O-CG2 3.25Å; E114-I116 VanDerWaalsContact C-N 3.35Å; E114-I116 PolarHBondContact O-N 2.99Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.81Å; I116-C119 WeakPolarHBondContact O-CB 3.04Å; I116-C119 PolarHBondContact O-N 2.96Å; I116-H120 WeakPolarHBondContact CG1-NE2 3.27Å; I116-H120 WeakPolarHBondContact O-CB 3.18Å; I116-H120 PolarHBondContact O-CD2 2.92Å; I116-H120 VanDerWaalsContact O-CG 3.26Å; I116-H120 PolarHBondContact O-N 3.42Å; I116-H126 HydrophobicContact CD1-CB 3.92Å; I116-L129 HydrophobicContact CD1-CD1 4.09Å; I116-L129 HydrophobicContact CG1-CD1 4.41Å; I116-L144 HydrophobicContact CB-CD1 4.07Å; I116-L144 HydrophobicContact CD1-CD1 4.14Å; I116-D186 HydrophobicContact CD1-CB 3.99Å; I116-D186 HydrophobicContact CG1-CB 3.93Å; I116-I190 HydrophobicContact CB-CD1 3.97Å; I116-I190 HydrophobicContact CG1-CD1 4.13Å; I116-I190 HydrophobicContact CG2-CD1 3.55Å; I116-A278 HydrophobicContact CG2-CB 3.65Å
117	L	96.2	Very high	92.8	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-43	175.6	175.5	60.2	0	0	0	110.8	L113 E114 C119 H120 C121 A278 R279 M282	L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 PolarHBondContact O-N 3.29Å; E114-L117 PolarHBondContact O-N 3.47Å; L117-C119 VanDerWaalsContact C-N 3.28Å; L117-C119 PolarHBondContact O-N 2.89Å; L117-H120 PolarHBondContact O-N 3.37Å; L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 3.2Å; L117-C121 PolarHBondContact O-SG 3.35Å; L117-A278 HydrophobicContact CB-CB 4.08Å; L117-R279 HydrophobicContact CD1-CB 3.87Å; L117-R279 HydrophobicContact CD2-CB 4.16Å; L117-M282 HydrophobicContact CB-SD 4.43Å; L117-M282 HydrophobicContact CD2-SD 3.67Å
118	F	93.8	Very high	92.4	Very high	26 Å²	26	38.7 Å²	38.7	11%	0.114	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-43.4	175.2	171.1	-89.3	0	0	0	111.8	L58 A59 H60 V63 E114 G115 I116 R122	L58-F118 HydrophobicContact CB-CE1 4.09Å; L58-F118 HydrophobicContact CD2-CE1 3.75Å; A59-F118 WeakPolarHBondContact O-CZ 3.46Å; H60-F118 HydrophobicContact CB-CB 4.43Å; H60-F118 HydrophobicContact CB-CD1 3.71Å; H60-F118 HydrophobicContact CB-CD2 3.89Å; H60-F118 HydrophobicContact CB-CE1 3.83Å; H60-F118 HydrophobicContact CB-CE2 3.97Å; H60-F118 HydrophobicContact CB-CG 3.76Å; H60-F118 HydrophobicContact CB-CZ 3.96Å; H60-F118 AromaticContact CD2-CD2 3.49Å; H60-F118 VanDerWaalsContact CD2-CD2 3.49Å; H60-F118 WeakPolarHBondContact CD2-CD2 3.48Å; H60-F118 AromaticContact CD2-CG 3.66Å; H60-F118 AromaticContact CG-CD2 3.93Å; H60-F118 AromaticContact CG-CG 3.77Å; V63-F118 HydrophobicContact CG2-CD1 4.3Å; E114-F118 PolarHBondContact O-N 3Å; G115-F118 WeakPolarHBondContact O-CB 3.18Å; G115-F118 PolarHBondContact O-N 2.82Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.81Å; F118-R122 PolarHBondContact O-NH1 2.86Å; F118-R122 VanDerWaalsContact O-NH1 3.09Å
119	C	90.8	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.4	-46.1	177.1	-63.6	0	0	0	0	112.2	G115 I116 L117 C121 R122 R123 V124 F147	G115-C119 PolarHBondContact O-N 2.87Å; G115-C119 PolarHBondContact O-SG 2.78Å; I116-C119 WeakPolarHBondContact O-CB 3.04Å; I116-C119 PolarHBondContact O-N 2.96Å; L117-C119 VanDerWaalsContact C-N 3.28Å; L117-C119 PolarHBondContact O-N 2.89Å; C119-C121 VanDerWaalsContact C-N 3.32Å; C119-C121 PolarHBondContact O-N 3.42Å; C119-R122 CarbonylContact O-C 3.57Å; C119-R122 WeakPolarHBondContact O-CA 3.49Å; C119-R122 PolarHBondContact O-N 2.85Å; C119-R123 PolarHBondContact O-N 2.81Å; C119-V124 CarbonylContact C-O 3.58Å; C119-V124 HydrophobicContact CB-CB 4.13Å; C119-V124 HydrophobicContact CB-CG1 4.38Å; C119-V124 PolarHBondContact O-N 3.36Å; C119-F147 HydrophobicContact CB-CE1 4.09Å; C119-F147 WeakPolarHBondContact SG-CE1 3.42Å; C119-F147 WeakPolarHBondContact SG-CZ 3.36Å
120	H	90.6	Very high	92	Very high	27 Å²	27	40.2 Å²	40.2	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-39.1	178.5	-71.5	-177.9	0	0	0	112.1	I116 L117 R122 R123 V124 T183 D186	I116-H120 WeakPolarHBondContact CG1-NE2 3.27Å; I116-H120 WeakPolarHBondContact O-CB 3.18Å; I116-H120 PolarHBondContact O-CD2 2.92Å; I116-H120 VanDerWaalsContact O-CG 3.26Å; I116-H120 PolarHBondContact O-N 3.42Å; L117-H120 PolarHBondContact O-N 3.37Å; H120-R122 PolarHBondContact O-N 3.35Å; H120-R123 PolarHBondContact O-N 2.73Å; H120-V124 PolarHBondContact CD2-O 3.17Å; H120-T183 HydrophobicContact CB-CG2 3.93Å; H120-T183 VanDerWaalsContact CE1-CB 3.47Å; H120-T183 WeakPolarHBondContact CE1-CB 3.48Å; H120-T183 PolarHBondContact CE1-O 3.29Å; H120-T183 WeakPolarHBondContact ND1-CB 3.24Å; H120-D186 IonicContact CD2-OD2 2.95Å; H120-D186 IonicContact CE1-OD2 3.2Å; H120-D186 IonicContact NE2-OD2 2.73Å; H120-D186 PolarHBondContact NE2-OD2 3.29Å
121	C	90.4	Very high	91.8	Very high	74 Å²	74	39.2 Å²	39.2	50%	0.5	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-21.4	174.6	-67.3	0	0	0	0	113.1	L117 C119	L117-C121 WeakPolarHBondContact O-CB 3.45Å; L117-C121 PolarHBondContact O-N 3.2Å; L117-C121 PolarHBondContact O-SG 3.35Å; C119-C121 VanDerWaalsContact C-N 3.32Å; C119-C121 PolarHBondContact O-N 3.42Å
122	R	86	Confident	91.6	Very high	128 Å²	128	42.2 Å²	42.2	48%	0.483	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	13.7	176.6	-70.4	168.7	178.8	67.8	3.3	113	F118 C119 H120 V124	F118-R122 PolarHBondContact O-NH1 2.86Å; F118-R122 VanDerWaalsContact O-NH1 3.09Å; C119-R122 CarbonylContact O-C 3.57Å; C119-R122 WeakPolarHBondContact O-CA 3.49Å; C119-R122 PolarHBondContact O-N 2.85Å; H120-R122 PolarHBondContact O-N 3.35Å; R122-V124 HydrophobicContact CB-CG2 4.37Å; R122-V124 PolarHBondContact O-N 2.83Å
123	R	85.1	Confident	91.3	Very high	232 Å²	232	42.7 Å²	42.7	88%	0.875	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.1	-179.3	-51	177.4	-178.9	179.6	-0	113.3	C119 H120	C119-R123 PolarHBondContact O-N 2.81Å; H120-R123 PolarHBondContact O-N 2.73Å
124	V	83.4	Confident	91.2	Very high	38 Å²	38	42.6 Å²	42.6	23%	0.23	19%	0.191	C	C	.	.			trans	-97.4	127.2	174.3	179	0	0	0	0	108.8	L58 C119 H120 R122 F147	L58-V124 HydrophobicContact CD1-CG1 4.38Å; L58-V124 HydrophobicContact CD1-CG2 4.46Å; L58-V124 HydrophobicContact CD2-CG2 4.36Å; C119-V124 CarbonylContact C-O 3.58Å; C119-V124 HydrophobicContact CB-CB 4.13Å; C119-V124 HydrophobicContact CB-CG1 4.38Å; C119-V124 PolarHBondContact O-N 3.36Å; H120-V124 PolarHBondContact CD2-O 3.17Å; R122-V124 HydrophobicContact CB-CG2 4.37Å; R122-V124 PolarHBondContact O-N 2.83Å; V124-F147 HydrophobicContact CG1-CD1 4.1Å
125	L	85	Confident	91.1	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.136	19%	0.189	C	C	.	.			trans	-106.1	140.8	173.2	-61.3	177.6	0	0	0	109.1	R127 T183	L125-R127 HydrophobicContact CB-CG 3.94Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å
126	H	88.5	Confident	91.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	19%	0.189	C	C	.	.			trans	-82.9	-49.5	179.8	-170.5	-71	0	0	0	112.2	I116 D128 L129 A145 F147 D186	I116-H126 HydrophobicContact CD1-CB 3.92Å; H126-D128 VanDerWaalsContact CE1-C 3.45Å; H126-D128 PolarHBondContact CE1-O 3.34Å; H126-D128 VanDerWaalsContact CE1-O 3.25Å; H126-D128 VanDerWaalsContact ND1-C 3.25Å; H126-D128 PolarHBondContact ND1-N 2.99Å; H126-D128 PolarHBondContact O-N 2.86Å; H126-L129 HydrophobicContact CB-CD1 4.31Å; H126-L129 HydrophobicContact CB-CD2 4.15Å; H126-L129 HydrophobicContact CB-CG 3.84Å; H126-L129 PolarHBondContact ND1-N 2.68Å; H126-A145 PolarHBondContact NE2-O 2.78Å; H126-F147 AromaticContact CD2-CD1 3.75Å; H126-F147 AromaticContact CD2-CE1 3.7Å; H126-D186 WeakPolarHBondContact CB-OD1 3.45Å; H126-D186 PolarHBondContact N-OD1 3.24Å; H126-D186 PolarHBondContact N-OD2 3.21Å
127	R	86.4	Confident	90.7	Very high	103 Å²	103	43.6 Å²	43.6	39%	0.389	20%	0.198	S	C	.	.			trans	68.1	-19.5	175.9	-53.6	175.7	175.1	-174.4	-8.2	117.3	L125 Y181 D186	L125-R127 HydrophobicContact CB-CG 3.94Å; R127-Y181 HydrophobicContact CG-CE2 4.48Å; R127-D186 PolarHBondContact N-OD1 3.39Å
128	D	86.6	Confident	90	Very high	42 Å²	42	47.7 Å²	47.7	23%	0.225	22%	0.221	C	C	.	.			trans	-126.3	43.2	177	-171.6	37.6	0	0	0	111.7	H126 K130 N133	H126-D128 VanDerWaalsContact CE1-C 3.45Å; H126-D128 PolarHBondContact CE1-O 3.34Å; H126-D128 VanDerWaalsContact CE1-O 3.25Å; H126-D128 VanDerWaalsContact ND1-C 3.25Å; H126-D128 PolarHBondContact ND1-N 2.99Å; H126-D128 PolarHBondContact O-N 2.86Å; D128-K130 PolarHBondContact O-N 2.8Å; D128-K130 IonicContact OD1-NZ 2.66Å; D128-K130 PolarHBondContact OD1-NZ 3.5Å; D128-K130 WeakPolarHBondContact OD2-CE 3.24Å; D128-K130 IonicContact OD2-NZ 2.76Å; D128-K130 PolarHBondContact OD2-NZ 3.11Å; D128-N133 PolarHBondContact O-ND2 3.38Å; D128-N133 PolarHBondContact OD2-ND2 2.89Å
129	L	93	Very high	89.4	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	24%	0.243	C	C	.	.			trans	-70	123.8	176.2	-77.3	175.4	0	0	0	109.7	I116 H126 L134 L144 Y169 D186 I190 I193	I116-L129 HydrophobicContact CD1-CD1 4.09Å; I116-L129 HydrophobicContact CG1-CD1 4.41Å; H126-L129 HydrophobicContact CB-CD1 4.31Å; H126-L129 HydrophobicContact CB-CD2 4.15Å; H126-L129 HydrophobicContact CB-CG 3.84Å; H126-L129 PolarHBondContact ND1-N 2.68Å; L129-L134 HydrophobicContact CD2-CD2 4.47Å; L129-L144 HydrophobicContact CD2-CD2 3.96Å; L129-Y169 VanDerWaalsContact O-CB 3.22Å; L129-Y169 WeakPolarHBondContact O-CB 3.41Å; L129-D186 HydrophobicContact CD1-CB 3.9Å; L129-I190 HydrophobicContact CD1-CD1 3.9Å; L129-I190 HydrophobicContact CD1-CG1 3.69Å; L129-I193 HydrophobicContact CB-CD1 4.14Å
130	K	93.8	Very high	89.1	Confident	33 Å²	33	52.9 Å²	52.9	14%	0.143	24%	0.243	C	C	.	.			trans	-158.6	159.6	177.4	60.4	-171.6	176.7	-139.3	0	109.7	D128 Q132 N133 L134 Y169	D128-K130 PolarHBondContact O-N 2.8Å; D128-K130 IonicContact OD1-NZ 2.66Å; D128-K130 PolarHBondContact OD1-NZ 3.5Å; D128-K130 WeakPolarHBondContact OD2-CE 3.24Å; D128-K130 IonicContact OD2-NZ 2.76Å; D128-K130 PolarHBondContact OD2-NZ 3.11Å; K130-Q132 HydrophobicContact CG-CB 4.27Å; K130-Q132 VanDerWaalsContact CG-OE1 3.31Å; K130-Q132 PolarHBondContact O-N 2.73Å; K130-Q132 VanDerWaalsContact O-N 3.07Å; K130-N133 WeakPolarHBondContact CE-ND2 3.36Å; K130-N133 HydrophobicContact CG-CB 4.16Å; K130-N133 PolarHBondContact O-N 2.86Å; K130-L134 PolarHBondContact O-N 3.45Å; K130-Y169 HydrophobicContact CB-CD2 3.44Å; K130-Y169 VanDerWaalsContact CB-CD2 3.44Å; K130-Y169 HydrophobicContact CB-CE2 3.45Å; K130-Y169 VanDerWaalsContact CB-CE2 3.45Å; K130-Y169 HydrophobicContact CB-CG 4.1Å
131	P	95.9	Very high	89.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-54.3	-29	180	-28.8	37.5	0	0	0	114.7	L87 K88 N133 L134 Y169 I193	L87-P131 HydrophobicContact CB-CB 4.16Å; L87-P131 WeakPolarHBondContact CB-O 3.42Å; L87-P131 HydrophobicContact CD2-CB 4.17Å; L87-P131 HydrophobicContact CG-CB 4.21Å; L87-P131 PolarHBondContact N-O 2.8Å; K88-P131 HydrophobicContact CB-CB 3.91Å; K88-P131 PolarHBondContact N-O 3.29Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.1Å; P131-L134 PolarHBondContact O-N 2.91Å; P131-Y169 VanDerWaalsContact CD-CE1 3.44Å; P131-Y169 WeakPolarHBondContact CD-OH 3.48Å; P131-Y169 HydrophobicContact CG-CE1 4.07Å; P131-Y169 WeakPolarHBondContact CG-OH 3.47Å; P131-I193 HydrophobicContact CG-CG1 4.42Å
132	Q	92.4	Very high	89.4	Confident	64 Å²	64	48.7 Å²	48.7	30%	0.299	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-69.6	-24.6	175.7	-60.3	84.1	-7.3	0	0	113.4	K88 K130	K88-Q132 HydrophobicContact CB-CG 3.98Å; K88-Q132 HydrophobicContact CG-CG 4.29Å; K130-Q132 HydrophobicContact CG-CB 4.27Å; K130-Q132 VanDerWaalsContact CG-OE1 3.31Å; K130-Q132 PolarHBondContact O-N 2.73Å; K130-Q132 VanDerWaalsContact O-N 3.07Å
133	N	93.1	Very high	89.9	Confident	10 Å²	10	44 Å²	44	5%	0.053	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-98.8	10.4	178.9	-68.3	-7.7	0	0	0	112	D128 K130 P131 A145	D128-N133 PolarHBondContact O-ND2 3.38Å; D128-N133 PolarHBondContact OD2-ND2 2.89Å; K130-N133 WeakPolarHBondContact CE-ND2 3.36Å; K130-N133 HydrophobicContact CG-CB 4.16Å; K130-N133 PolarHBondContact O-N 2.86Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.1Å; N133-A145 WeakPolarHBondContact O-CB 3.41Å; N133-A145 PolarHBondContact O-N 3Å
134	L	96.1	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.3	173.5	-66.2	177.3	0	0	0	107.9	D86 L87 I112 L129 K130 P131 I142 K143 L144 I193	D86-L134 CarbonylContact C-O 3.6Å; D86-L134 WeakPolarHBondContact CA-O 3.46Å; L87-L134 HydrophobicContact CB-CB 3.89Å; L87-L134 HydrophobicContact CD2-CB 4.29Å; L87-L134 HydrophobicContact CD2-CD1 3.63Å; L87-L134 PolarHBondContact N-O 3Å; I112-L134 HydrophobicContact CD1-CD1 3.7Å; I112-L134 HydrophobicContact CD1-CD2 4.44Å; I112-L134 HydrophobicContact CG1-CD1 4.3Å; I112-L134 HydrophobicContact CG1-CD2 4.13Å; L129-L134 HydrophobicContact CD2-CD2 4.47Å; K130-L134 PolarHBondContact O-N 3.45Å; P131-L134 PolarHBondContact O-N 2.91Å; L134-I142 HydrophobicContact CB-CD1 4.09Å; L134-I142 HydrophobicContact CB-CG1 4.25Å; L134-I142 HydrophobicContact CD1-CD1 4.39Å; L134-K143 WeakPolarHBondContact CA-O 3.49Å; L134-L144 HydrophobicContact CD2-CD2 3.27Å; L134-I193 HydrophobicContact CD1-CD1 4.01Å; L134-I193 HydrophobicContact CD1-CG2 3.89Å
135	L	95.3	Very high	90.7	Very high	37 Å²	37	31.5 Å²	31.5	19%	0.194	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.9	-178.3	-56.6	-173.7	0	0	0	110.4	V64 L83 M85 D86 I142 K143 A145	V64-L135 HydrophobicContact CG2-CD1 4.01Å; V64-L135 HydrophobicContact CG2-CG 4.48Å; L83-L135 HydrophobicContact CB-CB 3.74Å; L83-L135 HydrophobicContact CB-CD1 4.17Å; L83-L135 HydrophobicContact CD1-CB 4.14Å; L83-L135 HydrophobicContact CD1-CD1 4.11Å; L83-L135 HydrophobicContact CD2-CB 3.88Å; L83-L135 HydrophobicContact CG-CB 4.13Å; M85-L135 WeakPolarHBondContact O-CA 3.42Å; D86-L135 HydrophobicContact CB-CD2 3.83Å; L135-I142 CarbonylContact O-C 3.58Å; L135-I142 WeakPolarHBondContact O-CA 3.07Å; L135-K143 PolarHBondContact N-O 3.28Å; L135-K143 PolarHBondContact O-N 3.46Å; L135-A145 HydrophobicContact CD1-CB 3.88Å; L135-A145 HydrophobicContact CG-CB 3.8Å
136	I	94.2	Very high	90.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.5	179.6	65.7	171.7	0	0	0	111.2	M85 Y90 Y108 V141 I142 M302	M85-I136 HydrophobicContact CB-CD1 4.48Å; M85-I136 HydrophobicContact CB-CG1 3.94Å; M85-I136 HydrophobicContact CG-CD1 4.42Å; M85-I136 HydrophobicContact CG-CG1 4.33Å; M85-I136 PolarHBondContact O-N 3.48Å; M85-I136 HydrophobicContact SD-CD1 4.26Å; Y90-I136 VanDerWaalsContact CB-CD1 3.48Å; Y90-I136 HydrophobicContact CD1-CD1 4.07Å; Y90-I136 HydrophobicContact CD2-CD1 3.81Å; Y90-I136 HydrophobicContact CG-CD1 3.51Å; Y108-I136 HydrophobicContact CE1-CG2 4.3Å; Y108-I136 HydrophobicContact CE2-CG2 4.28Å; I136-V141 VanDerWaalsContact CA-O 3.24Å; I136-V141 WeakPolarHBondContact CA-O 3.32Å; I136-I142 HydrophobicContact CG2-CB 3.96Å; I136-I142 HydrophobicContact CG2-CD1 3.78Å; I136-I142 HydrophobicContact CG2-CG1 3.73Å; I136-M302 HydrophobicContact CD1-CE 4.43Å
137	D	87.6	Confident	89.6	Confident	36 Å²	36	33.4 Å²	33.4	19%	0.193	16%	0.16	C	C	.	.			trans	-108.8	177.2	169	77.9	1.8	0	0	0	111.6	L83 K139 G140 V141 M302	L83-D137 HydrophobicContact CD2-CB 4.42Å; D137-K139 PolarHBondContact O-N 3.29Å; D137-K139 WeakPolarHBondContact OD1-CA 3.32Å; D137-K139 WeakPolarHBondContact OD1-CB 3.5Å; D137-K139 PolarHBondContact OD1-N 3.42Å; D137-G140 PolarHBondContact OD1-N 3.07Å; D137-V141 VanDerWaalsContact CG-CB 3.49Å; D137-V141 PolarHBondContact N-O 3.5Å; D137-V141 VanDerWaalsContact OD1-CB 3.28Å; D137-V141 WeakPolarHBondContact OD1-CB 3.5Å; D137-V141 WeakPolarHBondContact OD1-CG2 3.22Å; D137-V141 PolarHBondContact OD1-N 3.26Å; D137-V141 WeakPolarHBondContact OD2-CG2 3.11Å; D137-M302 VanDerWaalsContact O-CE 3.25Å; D137-M302 WeakPolarHBondContact O-CE 3.35Å
138	N	82.1	Confident	88.3	Confident	119 Å²	119	29.7 Å²	29.7	64%	0.636	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	7.6	178.3	65	-18.7	0	0	0	114
139	K	81	Confident	86.9	Confident	133 Å²	133	27.9 Å²	27.9	58%	0.578	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.2	15.8	-178.5	-58.8	178.6	-178.1	177.9	0	111.9	D137 V141 A297	D137-K139 PolarHBondContact O-N 3.29Å; D137-K139 WeakPolarHBondContact OD1-CA 3.32Å; D137-K139 WeakPolarHBondContact OD1-CB 3.5Å; D137-K139 PolarHBondContact OD1-N 3.42Å; K139-V141 VanDerWaalsContact C-N 3.3Å; K139-V141 PolarHBondContact O-N 2.81Å; K139-A297 CarbonylContact O-C 3.38Å
140	G	84.9	Confident	84.7	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	75.5	15.5	178.8	0	0	0	0	0	114.3	Y108 Q111 D137	Y108-G140 WeakPolarHBondContact CE1-O 3.49Å; Q111-G140 PolarHBondContact NE2-O 3.47Å; D137-G140 PolarHBondContact OD1-N 3.07Å
141	V	91.7	Very high	82.8	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.079	17%	0.173	C	C	.	.			trans	-79.5	139.4	170.4	-174.4	0	0	0	0	109.2	I136 D137 K139 K143 P296	I136-V141 VanDerWaalsContact CA-O 3.24Å; I136-V141 WeakPolarHBondContact CA-O 3.32Å; D137-V141 VanDerWaalsContact CG-CB 3.49Å; D137-V141 PolarHBondContact N-O 3.5Å; D137-V141 VanDerWaalsContact OD1-CB 3.28Å; D137-V141 WeakPolarHBondContact OD1-CB 3.5Å; D137-V141 WeakPolarHBondContact OD1-CG2 3.22Å; D137-V141 PolarHBondContact OD1-N 3.26Å; D137-V141 WeakPolarHBondContact OD2-CG2 3.11Å; K139-V141 VanDerWaalsContact C-N 3.3Å; K139-V141 PolarHBondContact O-N 2.81Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å; V141-P296 HydrophobicContact CB-CB 4.11Å; V141-P296 HydrophobicContact CG1-CB 4.36Å; V141-P296 HydrophobicContact CG2-CB 3.47Å; V141-P296 VanDerWaalsContact CG2-CB 3.47Å; V141-P296 HydrophobicContact CG2-CG 3.58Å
142	I	95.7	Very high	80.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137	163.7	-169.6	158.1	0	0	0	110.3	N62 L87 Y108 Q111 I112 L134 L135 I136	N62-I142 WeakPolarHBondContact CB-O 3.5Å; N62-I142 PolarHBondContact ND2-O 3.34Å; L87-I142 HydrophobicContact CD1-CD1 4.4Å; L87-I142 HydrophobicContact CD2-CD1 4.26Å; Y108-I142 HydrophobicContact CD1-CB 3.74Å; Y108-I142 HydrophobicContact CD1-CD1 4.24Å; Y108-I142 HydrophobicContact CD1-CG2 3.7Å; Y108-I142 HydrophobicContact CD2-CD1 4.23Å; Y108-I142 HydrophobicContact CE1-CB 3.96Å; Y108-I142 HydrophobicContact CE1-CG2 4.37Å; Y108-I142 HydrophobicContact CG-CB 4.33Å; Y108-I142 HydrophobicContact CG-CD1 3.99Å; Y108-I142 HydrophobicContact CG-CG2 4.22Å; Q111-I142 HydrophobicContact CB-CG2 3.36Å; Q111-I142 HydrophobicContact CG-CG2 4.28Å; Q111-I142 VanDerWaalsContact OE1-N 3.08Å; I112-I142 HydrophobicContact CD1-CD1 3.92Å; I112-I142 HydrophobicContact CG1-CD1 4.13Å; I112-I142 HydrophobicContact CG1-CG1 4.35Å; I112-I142 HydrophobicContact CG1-CG2 4.15Å; L134-I142 HydrophobicContact CB-CD1 4.09Å; L134-I142 HydrophobicContact CB-CG1 4.25Å; L134-I142 HydrophobicContact CD1-CD1 4.39Å; L135-I142 CarbonylContact O-C 3.58Å; L135-I142 WeakPolarHBondContact O-CA 3.07Å; I136-I142 HydrophobicContact CG2-CB 3.96Å; I136-I142 HydrophobicContact CG2-CD1 3.78Å; I136-I142 HydrophobicContact CG2-CG1 3.73Å
143	K	95.7	Very high	78.7	Confident	29 Å²	29	33.1 Å²	33.1	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	-178.5	-55.4	-159.9	179.4	-155	0	111.8	P61 N62 V64 E81 L83 L134 L135 V141	P61-K143 WeakPolarHBondContact O-CD 3.5Å; P61-K143 WeakPolarHBondContact O-CE 3.41Å; P61-K143 WeakPolarHBondContact O-CG 3.47Å; P61-K143 PolarHBondContact O-NZ 3.01Å; N62-K143 WeakPolarHBondContact O-CA 3.47Å; V64-K143 HydrophobicContact CG2-CB 3.66Å; V64-K143 HydrophobicContact CG2-CD 4.38Å; E81-K143 WeakPolarHBondContact OE1-CD 3.37Å; E81-K143 IonicContact OE1-NZ 2.79Å; E81-K143 PolarHBondContact OE1-NZ 2.73Å; E81-K143 WeakPolarHBondContact OE2-CE 3.44Å; E81-K143 IonicContact OE2-NZ 2.87Å; E81-K143 PolarHBondContact OE2-NZ 3.2Å; L83-K143 HydrophobicContact CD1-CD 4.23Å; L83-K143 HydrophobicContact CD2-CB 4.4Å; L83-K143 HydrophobicContact CD2-CD 4.2Å; L83-K143 HydrophobicContact CD2-CG 4.04Å; L134-K143 WeakPolarHBondContact CA-O 3.49Å; L135-K143 PolarHBondContact N-O 3.28Å; L135-K143 PolarHBondContact O-N 3.46Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å
144	L	94.7	Very high	76.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.3	169.9	-53.3	-173.9	0	0	0	109.5	N62 V64 I112 G115 I116 L129 L134 F147	N62-L144 WeakPolarHBondContact O-CG 3.34Å; N62-L144 PolarHBondContact O-N 2.94Å; V64-L144 WeakPolarHBondContact CB-O 3.39Å; V64-L144 WeakPolarHBondContact CG2-O 3.28Å; V64-L144 PolarHBondContact N-O 3.26Å; I112-L144 HydrophobicContact CG1-CD2 4.5Å; I112-L144 HydrophobicContact CG2-CD2 4.18Å; G115-L144 VanDerWaalsContact C-CD1 3.47Å; I116-L144 HydrophobicContact CB-CD1 4.07Å; I116-L144 HydrophobicContact CD1-CD1 4.14Å; L129-L144 HydrophobicContact CD2-CD2 3.96Å; L134-L144 HydrophobicContact CD2-CD2 3.27Å; L144-F147 HydrophobicContact CB-CE2 3.56Å; L144-F147 HydrophobicContact CB-CZ 3.46Å; L144-F147 VanDerWaalsContact CB-CZ 3.46Å; L144-F147 HydrophobicContact CD1-CE1 4.45Å; L144-F147 HydrophobicContact CD1-CZ 3.79Å; L144-F147 HydrophobicContact CG-CZ 4.26Å; L144-F147 WeakPolarHBondContact O-CE2 3.34Å
145	A	90.9	Very high	73.5	Confident	6 Å²	6	37.4 Å²	37.4	5%	0.05	21%	0.206	C	C	.	.			trans	-124.5	168.1	179.2	0	0	0	0	0	111.3	V64 H126 N133 L135 F147	V64-A145 HydrophobicContact CB-CB 4.29Å; V64-A145 HydrophobicContact CG2-CB 3.71Å; H126-A145 PolarHBondContact NE2-O 2.78Å; N133-A145 WeakPolarHBondContact O-CB 3.41Å; N133-A145 PolarHBondContact O-N 3Å; L135-A145 HydrophobicContact CD1-CB 3.88Å; L135-A145 HydrophobicContact CG-CB 3.8Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 3.21Å
146	D	80.2	Confident	70.6	Confident	53 Å²	53	39 Å²	39	28%	0.283	22%	0.219	S	C	.	.	S	Bend	trans	60.6	36.7	173.1	-80.4	4.5	0	0	0	115.1	K33 G148	K33-D146 IonicContact NZ-OD1 2.64Å; K33-D146 PolarHBondContact NZ-OD1 3Å; K33-D146 IonicContact NZ-OD2 2.61Å; K33-D146 PolarHBondContact NZ-OD2 3.35Å; D146-G148 PolarHBondContact O-N 3.48Å; D146-G148 VanDerWaalsContact O-N 3.11Å
147	F	70.9	Confident	68.1	Low	16 Å²	16	43.6 Å²	43.6	7%	0.07	25%	0.247	C	C	.	.			trans	-53	115.8	171.9	-77.8	-87.1	0	0	0	112.5	L55 V63 C119 V124 H126 L144 A145 L149	L55-F147 HydrophobicContact CD2-CB 4.35Å; V63-F147 HydrophobicContact CB-CE2 4.28Å; V63-F147 HydrophobicContact CB-CZ 4.48Å; V63-F147 HydrophobicContact CG1-CD2 4.21Å; V63-F147 HydrophobicContact CG1-CE2 3.5Å; V63-F147 VanDerWaalsContact CG1-CE2 3.5Å; V63-F147 HydrophobicContact CG1-CZ 3.97Å; V63-F147 HydrophobicContact CG2-CE2 4.2Å; V63-F147 HydrophobicContact CG2-CZ 3.92Å; C119-F147 HydrophobicContact CB-CE1 4.09Å; C119-F147 WeakPolarHBondContact SG-CE1 3.42Å; C119-F147 WeakPolarHBondContact SG-CZ 3.36Å; V124-F147 HydrophobicContact CG1-CD1 4.1Å; H126-F147 AromaticContact CD2-CD1 3.75Å; H126-F147 AromaticContact CD2-CE1 3.7Å; L144-F147 HydrophobicContact CB-CE2 3.56Å; L144-F147 HydrophobicContact CB-CZ 3.46Å; L144-F147 VanDerWaalsContact CB-CZ 3.46Å; L144-F147 HydrophobicContact CD1-CE1 4.45Å; L144-F147 HydrophobicContact CD1-CZ 3.79Å; L144-F147 HydrophobicContact CG-CZ 4.26Å; L144-F147 WeakPolarHBondContact O-CE2 3.34Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 3.21Å; F147-L149 PolarHBondContact O-N 3.27Å
148	G	59	Low	65.6	Low	25 Å²	25	47.4 Å²	47.4	26%	0.258	26%	0.259	S	S	.	.	S	Bend	trans	52.8	18.3	147.1	0	0	0	0	0	117.8	D146 A150 R151 A152	D146-G148 PolarHBondContact O-N 3.48Å; D146-G148 VanDerWaalsContact O-N 3.11Å; G148-A150 PolarHBondContact O-N 3Å; G148-A150 VanDerWaalsContact O-N 3.1Å; G148-R151 PolarHBondContact O-N 2.93Å; G148-A152 PolarHBondContact O-N 3.23Å
149	L	56.3	Low	63.3	Low	4 Å²	4	47.9 Å²	47.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-33.2	-178.6	-62.4	175.5	0	0	0	110.5	K33 I35 L55 L78 F147 R151 A152 F153	K33-L149 HydrophobicContact CD-CD1 3.93Å; K33-L149 VanDerWaalsContact NZ-CD1 3.29Å; I35-L149 HydrophobicContact CD1-CD1 4.21Å; L55-L149 HydrophobicContact CD1-CD2 4.28Å; L78-L149 HydrophobicContact CD1-CD2 3.65Å; F147-L149 PolarHBondContact O-N 3.27Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 2.66Å; L149-A152 PolarHBondContact O-N 2.98Å; L149-F153 HydrophobicContact CB-CD2 4.03Å; L149-F153 HydrophobicContact CB-CE2 4.01Å; L149-F153 HydrophobicContact CD2-CE2 3.97Å; L149-F153 HydrophobicContact CG-CE2 4.47Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 PolarHBondContact O-N 3.39Å
150	A	48.4	Very low	61.2	Low	21 Å²	21	48 Å²	48	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-34.4	174.2	0	0	0	0	0	114.3	Y15 G148	Y15-A150 HydrophobicContact CE1-CB 3.95Å; G148-A150 PolarHBondContact O-N 3Å; G148-A150 VanDerWaalsContact O-N 3.1Å
151	R	51.8	Low	58.6	Low	156 Å²	156	51.5 Å²	51.5	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-80.5	-41.6	178.2	-172.3	177.2	174.9	177	-2.8	111.5	G148 L149 F153 G154	G148-R151 PolarHBondContact O-N 2.93Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 2.66Å; R151-F153 PolarHBondContact O-N 2.94Å; R151-G154 PolarHBondContact O-N 3.2Å
152	A	52.3	Low	55.8	Low	10 Å²	10	60.6 Å²	60.6	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-34.7	-177.2	0	0	0	0	0	113.7	A48 E51 I52 G148 L149 G154	A48-A152 VanDerWaalsContact CA-O 3.22Å; A48-A152 WeakPolarHBondContact CA-O 3.43Å; A48-A152 WeakPolarHBondContact CB-O 3.35Å; E51-A152 HydrophobicContact CB-CB 3.76Å; E51-A152 VanDerWaalsContact OE2-CA 3.25Å; E51-A152 WeakPolarHBondContact OE2-CA 3.42Å; I52-A152 HydrophobicContact CG1-CB 4.23Å; G148-A152 PolarHBondContact O-N 3.23Å; L149-A152 PolarHBondContact O-N 2.98Å; A152-G154 VanDerWaalsContact C-N 3.34Å
153	F	50.3	Low	52.9	Low	23 Å²	23	66.9 Å²	66.9	10%	0.101	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.2	-177.9	-72.2	-68.5	0	0	0	114.4	I35 V44 A48 I52 L76 L149 R151 V155	I35-F153 HydrophobicContact CB-CZ 4.24Å; I35-F153 HydrophobicContact CD1-CE2 3.97Å; I35-F153 HydrophobicContact CD1-CZ 4.1Å; I35-F153 HydrophobicContact CG1-CE2 4.14Å; I35-F153 HydrophobicContact CG1-CZ 3.75Å; I35-F153 HydrophobicContact CG2-CD1 4.42Å; I35-F153 HydrophobicContact CG2-CD2 4.35Å; I35-F153 HydrophobicContact CG2-CE1 3.96Å; I35-F153 HydrophobicContact CG2-CE2 3.91Å; I35-F153 HydrophobicContact CG2-CZ 3.69Å; V44-F153 HydrophobicContact CG1-CE1 4.27Å; A48-F153 HydrophobicContact CB-CD1 3.76Å; A48-F153 HydrophobicContact CB-CE1 4.16Å; I52-F153 HydrophobicContact CD1-CD1 4.35Å; I52-F153 HydrophobicContact CD1-CE1 3.39Å; I52-F153 HydrophobicContact CD1-CE2 3.94Å; I52-F153 HydrophobicContact CD1-CZ 3.12Å; I52-F153 HydrophobicContact CG1-CE2 4.49Å; I52-F153 HydrophobicContact CG1-CZ 4.09Å; L76-F153 HydrophobicContact CD2-CE1 3.41Å; L76-F153 VanDerWaalsContact CD2-CE1 3.41Å; L76-F153 HydrophobicContact CD2-CZ 3.49Å; L76-F153 VanDerWaalsContact CD2-CZ 3.49Å; L149-F153 HydrophobicContact CB-CD2 4.03Å; L149-F153 HydrophobicContact CB-CE2 4.01Å; L149-F153 HydrophobicContact CD2-CE2 3.97Å; L149-F153 HydrophobicContact CG-CE2 4.47Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 PolarHBondContact O-N 3.39Å; R151-F153 PolarHBondContact O-N 2.94Å; F153-V155 HydrophobicContact CB-CB 4.22Å; F153-V155 HydrophobicContact CB-CG2 3.6Å; F153-V155 PolarHBondContact O-N 3.06Å
154	G	43.7	Very low	50.7	Low	64 Å²	64	72.3 Å²	72.3	66%	0.66	39%	0.391	S	S	*	.			trans	58.1	2.9	-172.5	0	0	0	0	0	113.9	R151 A152 P156	R151-G154 PolarHBondContact O-N 3.2Å; A152-G154 VanDerWaalsContact C-N 3.34Å; G154-P156 WeakPolarHBondContact O-CD 3.48Å; G154-P156 VanDerWaalsContact O-N 3.09Å
155	V	37.1	Very low	49.2	Very low	35 Å²	35	76 Å²	76	21%	0.212	41%	0.414	C	S	.	.			trans	-54	117.2	171.7	167.8	0	0	0	0	104.1	E38 F153 V157	E38-V155 HydrophobicContact CG-CG2 4.44Å; F153-V155 HydrophobicContact CB-CB 4.22Å; F153-V155 HydrophobicContact CB-CG2 3.6Å; F153-V155 PolarHBondContact O-N 3.06Å; V155-V157 PolarHBondContact O-N 2.73Å
156	P	34.8	Very low	48.5	Very low	70 Å²	70	77.7 Å²	77.7	46%	0.455	42%	0.423	S	S	.	.			trans	-44.8	128.2	171.8	-21.3	29.3	0	0	0	105.6	G154 R158	G154-P156 WeakPolarHBondContact O-CD 3.48Å; G154-P156 VanDerWaalsContact O-N 3.09Å; P156-R158 WeakPolarHBondContact O-CA 3.28Å; P156-R158 PolarHBondContact O-N 3.06Å
157	V	40.9	Very low	49	Very low	100 Å²	100	76.1 Å²	76.1	61%	0.606	42%	0.415	S	S	*	.	S	Bend	trans	-51	100	156.2	177.2	0	0	0	0	101.7	V155 V159	V155-V157 PolarHBondContact O-N 2.73Å; V157-V159 PolarHBondContact O-N 3.43Å; V157-V159 VanDerWaalsContact O-N 3.15Å
158	R	36	Very low	50.2	Low	116 Å²	116	78 Å²	78	44%	0.438	42%	0.421	S	S	.	.			trans	-42.7	131.2	-158.3	-87.5	179.5	170.5	-174.4	-4.9	106.5	P156 Y160 E163	P156-R158 WeakPolarHBondContact O-CA 3.28Å; P156-R158 PolarHBondContact O-N 3.06Å; R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 VanDerWaalsContact O-CA 3.28Å; R158-Y160 WeakPolarHBondContact O-CA 3.4Å; R158-Y160 PolarHBondContact O-N 3.1Å; R158-E163 IonicContact NH1-OE2 2.78Å; R158-E163 PolarHBondContact NH1-OE2 3.15Å
159	V	32.4	Very low	52	Low	129 Å²	129	77.1 Å²	77.1	78%	0.782	41%	0.41	S	S	*	.	S	Bend	trans	-39.6	111	166.9	-179.7	0	0	0	0	105.1	V157 T161	V157-V159 PolarHBondContact O-N 3.43Å; V157-V159 VanDerWaalsContact O-N 3.15Å; V159-T161 WeakPolarHBondContact O-CG2 3.49Å; V159-T161 PolarHBondContact O-N 3.23Å
160	Y	37.3	Very low	53.8	Low	134 Å²	134	78.9 Å²	78.9	53%	0.525	42%	0.416	S	S	.	.			trans	-46	85.3	-158	-75.6	-86.6	0	0	0	111.4	R158	R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 VanDerWaalsContact O-CA 3.28Å; R158-Y160 WeakPolarHBondContact O-CA 3.4Å; R158-Y160 PolarHBondContact O-N 3.1Å
161	T	31.8	Very low	56.1	Low	76 Å²	76	77.9 Å²	77.9	47%	0.466	41%	0.409	S	S	.	.			trans	-76.3	132.1	175.5	48.3	0	0	0	0	104.8	V159 E163	V159-T161 WeakPolarHBondContact O-CG2 3.49Å; V159-T161 PolarHBondContact O-N 3.23Å; T161-E163 PolarHBondContact O-N 3.2Å
162	H	32.5	Very low	58.3	Low	203 Å²	203	70.5 Å²	70.5	94%	0.94	38%	0.381	S	S	*	.	S	Bend	trans	-56.1	15.5	-176.9	-71.2	-83.2	0	0	0	116.2	V164	H162-V164 PolarHBondContact O-N 3.22Å; H162-V164 VanDerWaalsContact O-N 3.1Å
163	E	34.1	Very low	60.3	Low	133 Å²	133	70.3 Å²	70.3	62%	0.621	38%	0.378	S	S	*	.	S	Bend	trans	-72	93.2	165.7	-69.8	-171.9	148.1	0	0	110.1	R158 T161 V165	R158-E163 IonicContact NH1-OE2 2.78Å; R158-E163 PolarHBondContact NH1-OE2 3.15Å; T161-E163 PolarHBondContact O-N 3.2Å; E163-V165 PolarHBondContact O-N 3.09Å
164	V	48.9	Very low	62.4	Low	144 Å²	144	71 Å²	71	87%	0.873	38%	0.384	S	S	*	.			trans	14.1	70.7	156.1	-162.2	0	0	0	0	115.9	H162	H162-V164 PolarHBondContact O-N 3.22Å; H162-V164 VanDerWaalsContact O-N 3.1Å
165	V	63.8	Low	64.8	Low	79 Å²	79	68.1 Å²	68.1	48%	0.479	35%	0.354	S	S	.	.			trans	-86.6	129.1	163.9	-179.6	0	0	0	0	108	E163 L167	E163-V165 PolarHBondContact O-N 3.09Å; V165-L167 PolarHBondContact O-N 3.45Å; V165-L167 VanDerWaalsContact O-N 3.1Å
166	T	76.8	Confident	67.6	Low	41 Å²	41	66.5 Å²	66.5	25%	0.252	34%	0.344	S	S	.	.			trans	-64.8	112.2	178.6	-48	0	0	0	0	111	W168 Y169	T166-W168 HydrophobicContact CG2-CB 4.16Å; T166-W168 HydrophobicContact CG2-CD2 3.66Å; T166-W168 HydrophobicContact CG2-CE3 3.78Å; T166-W168 HydrophobicContact CG2-CG 3.86Å; T166-W168 HydrophobicContact CG2-CZ3 4.4Å; T166-Y169 HydrophobicContact CG2-CD2 4.09Å; T166-Y169 HydrophobicContact CG2-CE2 3.66Å
167	L	90.3	Very high	70.3	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.105	34%	0.335	C	S	.	.			trans	-85	-13.7	-178.3	-61.1	176.7	0	0	0	113.7	V165 Y169 R170 E209 Q212	V165-L167 PolarHBondContact O-N 3.45Å; V165-L167 VanDerWaalsContact O-N 3.1Å; L167-Y169 PolarHBondContact O-N 3.49Å; L167-R170 VanDerWaalsContact CD2-CZ 3.45Å; L167-R170 WeakPolarHBondContact O-CB 3.33Å; L167-R170 PolarHBondContact O-N 3.06Å; L167-E209 HydrophobicContact CD1-CG 4.05Å; L167-E209 HydrophobicContact CD2-CG 4.2Å; L167-Q212 HydrophobicContact CB-CB 4.31Å; L167-Q212 HydrophobicContact CB-CG 4.1Å; L167-Q212 PolarHBondContact O-NE2 2.86Å
168	W	95.9	Very high	72.5	Confident	54 Å²	54	60.3 Å²	60.3	21%	0.205	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.2	-162.3	-52.8	-19.4	0	0	0	115.1	T166 P202 F204 H205 G206 Q212	T166-W168 HydrophobicContact CG2-CB 4.16Å; T166-W168 HydrophobicContact CG2-CD2 3.66Å; T166-W168 HydrophobicContact CG2-CE3 3.78Å; T166-W168 HydrophobicContact CG2-CG 3.86Å; T166-W168 HydrophobicContact CG2-CZ3 4.4Å; W168-P202 HydrophobicContact CB-CB 4.44Å; W168-P202 HydrophobicContact CD2-CB 4.11Å; W168-P202 HydrophobicContact CD2-CG 4.26Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.39Å; W168-P202 HydrophobicContact CG-CB 4.45Å; W168-P202 HydrophobicContact CH2-CG 4.46Å; W168-P202 HydrophobicContact CZ3-CB 4.26Å; W168-P202 HydrophobicContact CZ3-CG 3.51Å; W168-F204 VanDerWaalsContact CA-O 3.28Å; W168-F204 WeakPolarHBondContact CA-O 3.41Å; W168-F204 WeakPolarHBondContact CB-O 3.4Å; W168-H205 AromaticContact CD2-CD2 3.81Å; W168-H205 AromaticContact CE2-CD2 3.31Å; W168-H205 AromaticContact CE2-NE2 3.72Å; W168-H205 AromaticContact CH2-CD2 3.36Å; W168-H205 WeakPolarHBondContact CH2-CD2 3.33Å; W168-H205 AromaticContact CH2-NE2 3.24Å; W168-H205 WeakPolarHBondContact CH2-NE2 3.31Å; W168-H205 AromaticContact CZ2-CD2 3.1Å; W168-H205 WeakPolarHBondContact CZ2-CD2 3.16Å; W168-H205 AromaticContact CZ2-CE1 3.95Å; W168-H205 AromaticContact CZ2-NE2 3.01Å; W168-H205 WeakPolarHBondContact CZ2-NE2 3.45Å; W168-H205 AromaticContact CZ3-CD2 3.81Å; W168-H205 AromaticContact NE1-CD2 3.9Å; W168-G206 PolarHBondContact NE1-O 3.43Å; W168-Q212 PolarHBondContact O-NE2 3.01Å
169	Y	96.4	Very high	74.5	Confident	8 Å²	8	60.3 Å²	60.3	3%	0.031	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	1.4	-178	-43.1	-82.2	0	0	0	113	L129 K130 P131 T166 L167 S189 T192 I193 E196	L129-Y169 VanDerWaalsContact O-CB 3.22Å; L129-Y169 WeakPolarHBondContact O-CB 3.41Å; K130-Y169 HydrophobicContact CB-CD2 3.44Å; K130-Y169 VanDerWaalsContact CB-CD2 3.44Å; K130-Y169 HydrophobicContact CB-CE2 3.45Å; K130-Y169 VanDerWaalsContact CB-CE2 3.45Å; K130-Y169 HydrophobicContact CB-CG 4.1Å; P131-Y169 VanDerWaalsContact CD-CE1 3.44Å; P131-Y169 WeakPolarHBondContact CD-OH 3.48Å; P131-Y169 HydrophobicContact CG-CE1 4.07Å; P131-Y169 WeakPolarHBondContact CG-OH 3.47Å; T166-Y169 HydrophobicContact CG2-CD2 4.09Å; T166-Y169 HydrophobicContact CG2-CE2 3.66Å; L167-Y169 PolarHBondContact O-N 3.49Å; Y169-S189 WeakPolarHBondContact O-CA 3.45Å; Y169-S189 WeakPolarHBondContact O-CB 3.22Å; Y169-S189 PolarHBondContact O-OG 3.2Å; Y169-T192 WeakPolarHBondContact CD1-OG1 3.47Å; Y169-I193 HydrophobicContact CD1-CD1 4.48Å; Y169-I193 HydrophobicContact CD1-CG1 3.77Å; Y169-I193 HydrophobicContact CE1-CG1 3.95Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.26Å; Y169-E196 PolarHBondContact OH-OE2 2.86Å
170	R	94.9	Very high	76.8	Confident	40 Å²	40	65 Å²	65	15%	0.151	33%	0.33	C	S	.	.			trans	-76.4	134.6	-176.4	-166.9	179	-70.2	173	4	110.8	L167 V174 L175 W188 E209	L167-R170 VanDerWaalsContact CD2-CZ 3.45Å; L167-R170 WeakPolarHBondContact O-CB 3.33Å; L167-R170 PolarHBondContact O-N 3.06Å; R170-V174 HydrophobicContact CG-CB 3.85Å; R170-V174 HydrophobicContact CG-CG1 3.91Å; R170-L175 HydrophobicContact CB-CD2 4.48Å; R170-L175 HydrophobicContact CB-CG 4.33Å; R170-L175 HydrophobicContact CG-CD2 4.3Å; R170-L175 HydrophobicContact CG-CG 4.05Å; R170-W188 PolarHBondContact O-NE1 2.87Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; R170-E209 IonicContact NH1-OE1 3.33Å; R170-E209 PolarHBondContact NH1-OE1 2.79Å
171	A	96.5	Very high	79	Confident	1 Å²	1	63 Å²	63	1%	0.008	32%	0.323	C	S	.	.			trans	-71.8	149.2	179.2	0	0	0	0	0	112.1	E173 V174 L175 V185 W188	A171-E173 VanDerWaalsContact C-N 3.28Å; A171-E173 HydrophobicContact CB-CG 4.39Å; A171-E173 WeakPolarHBondContact CB-OE2 3.35Å; A171-E173 PolarHBondContact O-N 3.28Å; A171-V174 HydrophobicContact CB-CG2 4.43Å; A171-V174 PolarHBondContact O-N 2.9Å; A171-V174 VanDerWaalsContact O-N 3.07Å; A171-L175 PolarHBondContact O-N 3.37Å; A171-L175 VanDerWaalsContact O-N 3.17Å; A171-V185 HydrophobicContact CB-CB 4.17Å; A171-V185 HydrophobicContact CB-CG1 4.21Å; A171-W188 VanDerWaalsContact CA-CD1 3.42Å; A171-W188 HydrophobicContact CB-CB 3.76Å; A171-W188 HydrophobicContact CB-CD2 4.32Å; A171-W188 HydrophobicContact CB-CG 3.71Å
172	P	97.6	Very high	81.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-31.8	-175.7	26.4	-35.6	0	0	0	112.7	V174 L175 L176 W188 W228 Y270	P172-V174 VanDerWaalsContact C-N 3.27Å; P172-V174 PolarHBondContact O-N 3.34Å; P172-L175 PolarHBondContact O-N 3.36Å; P172-L176 WeakPolarHBondContact O-CB 3.17Å; P172-L176 VanDerWaalsContact O-CG 3.31Å; P172-L176 WeakPolarHBondContact O-CG 3.21Å; P172-L176 PolarHBondContact O-N 3.21Å; P172-W188 VanDerWaalsContact CD-CE2 3.5Å; P172-W188 HydrophobicContact CG-CE3 4.18Å; P172-W188 HydrophobicContact CG-CH2 3.83Å; P172-W188 HydrophobicContact CG-CZ2 4.23Å; P172-W188 HydrophobicContact CG-CZ3 3.81Å; P172-W228 HydrophobicContact CB-CH2 4.38Å; P172-W228 HydrophobicContact CB-CZ3 4.04Å; P172-W228 HydrophobicContact CG-CH2 4.47Å; P172-W228 HydrophobicContact CG-CZ3 4.18Å; P172-Y270 HydrophobicContact CB-CD1 4.19Å; P172-Y270 HydrophobicContact CB-CE1 4.21Å; P172-Y270 HydrophobicContact CG-CD1 3.85Å; P172-Y270 HydrophobicContact CG-CE1 4.2Å
173	E	95.4	Very high	84.6	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-32.7	174.9	63.4	-88.9	-152	0	0	112.9	A171 G177 A178 V185 W228 P272 R275	A171-E173 VanDerWaalsContact C-N 3.28Å; A171-E173 HydrophobicContact CB-CG 4.39Å; A171-E173 WeakPolarHBondContact CB-OE2 3.35Å; A171-E173 PolarHBondContact O-N 3.28Å; E173-G177 PolarHBondContact O-N 2.94Å; E173-A178 HydrophobicContact CB-CB 4.06Å; E173-A178 WeakPolarHBondContact O-CB 3.42Å; E173-A178 PolarHBondContact O-N 3.44Å; E173-V185 HydrophobicContact CG-CG1 4.18Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.45Å; E173-W228 HydrophobicContact CB-CH2 3.77Å; E173-W228 HydrophobicContact CB-CZ2 3.77Å; E173-P272 HydrophobicContact CB-CG 4.19Å; E173-P272 HydrophobicContact CG-CG 4.12Å; E173-R275 IonicContact OE1-CZ 3.77Å; E173-R275 IonicContact OE1-NH1 3Å; E173-R275 PolarHBondContact OE1-NH1 3.07Å; E173-R275 IonicContact OE1-NH2 2.8Å; E173-R275 PolarHBondContact OE1-NH2 3.23Å; E173-R275 IonicContact OE2-CZ 2.86Å; E173-R275 IonicContact OE2-NH1 3.23Å; E173-R275 PolarHBondContact OE2-NH1 3.29Å; E173-R275 IonicContact OE2-NH2 2.68Å; E173-R275 PolarHBondContact OE2-NH2 2.83Å
174	V	93.4	Very high	87.6	Confident	37 Å²	37	50 Å²	50	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-75.6	-40.1	175.8	-175.1	0	0	0	0	110.2	R170 A171 P172 L176 G177 Y181 V185	R170-V174 HydrophobicContact CG-CB 3.85Å; R170-V174 HydrophobicContact CG-CG1 3.91Å; A171-V174 HydrophobicContact CB-CG2 4.43Å; A171-V174 PolarHBondContact O-N 2.9Å; A171-V174 VanDerWaalsContact O-N 3.07Å; P172-V174 VanDerWaalsContact C-N 3.27Å; P172-V174 PolarHBondContact O-N 3.34Å; V174-L176 VanDerWaalsContact C-N 3.3Å; V174-L176 PolarHBondContact O-N 3.33Å; V174-G177 PolarHBondContact O-N 2.79Å; V174-Y181 HydrophobicContact CG2-CD1 4.42Å; V174-Y181 HydrophobicContact CG2-CG 4.37Å; V174-V185 HydrophobicContact CG2-CG1 3.82Å
175	L	94.6	Very high	89.8	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-26.7	177.4	-70.2	165.5	0	0	0	113.4	R170 A171 P172 G177 E209 Q212 L213 I216	R170-L175 HydrophobicContact CB-CD2 4.48Å; R170-L175 HydrophobicContact CB-CG 4.33Å; R170-L175 HydrophobicContact CG-CD2 4.3Å; R170-L175 HydrophobicContact CG-CG 4.05Å; A171-L175 PolarHBondContact O-N 3.37Å; A171-L175 VanDerWaalsContact O-N 3.17Å; P172-L175 PolarHBondContact O-N 3.36Å; L175-G177 VanDerWaalsContact C-N 3.32Å; L175-E209 HydrophobicContact CD2-CB 4.09Å; L175-E209 HydrophobicContact CD2-CG 4.19Å; L175-Q212 HydrophobicContact CD1-CB 4.32Å; L175-Q212 HydrophobicContact CD1-CG 3.61Å; L175-Q212 HydrophobicContact CD2-CG 4.31Å; L175-L213 HydrophobicContact CB-CD1 4.22Å; L175-L213 HydrophobicContact CB-CD2 3.64Å; L175-L213 HydrophobicContact CB-CG 3.84Å; L175-L213 HydrophobicContact CD1-CD2 4.02Å; L175-L213 HydrophobicContact CD1-CG 4.19Å; L175-L213 HydrophobicContact CG-CD2 4.47Å; L175-I216 HydrophobicContact CD1-CD1 3.81Å
176	L	96.1	Very high	91.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.6	177.1	-69.1	171.5	0	0	0	113.1	P172 V174 L213 W228 V231 L234 P235 D236 Y237 F241	P172-L176 WeakPolarHBondContact O-CB 3.17Å; P172-L176 VanDerWaalsContact O-CG 3.31Å; P172-L176 WeakPolarHBondContact O-CG 3.21Å; P172-L176 PolarHBondContact O-N 3.21Å; V174-L176 VanDerWaalsContact C-N 3.3Å; V174-L176 PolarHBondContact O-N 3.33Å; L176-L213 HydrophobicContact CD2-CD1 3.84Å; L176-L213 HydrophobicContact CD2-CD2 4.16Å; L176-L213 HydrophobicContact CG-CD1 4.44Å; L176-L213 HydrophobicContact CG-CD2 4.04Å; L176-W228 HydrophobicContact CD1-CH2 3.89Å; L176-W228 HydrophobicContact CD1-CZ3 3.68Å; L176-V231 HydrophobicContact CD1-CG2 3.91Å; L176-L234 HydrophobicContact CB-CB 4.11Å; L176-L234 HydrophobicContact CB-CD1 3.69Å; L176-L234 HydrophobicContact CD1-CD1 3.9Å; L176-L234 HydrophobicContact CG-CD1 4.46Å; L176-P235 WeakPolarHBondContact O-CD 3.37Å; L176-D236 PolarHBondContact O-N 3.43Å; L176-D236 VanDerWaalsContact O-N 3.13Å; L176-Y237 HydrophobicContact CD2-CD2 4.45Å; L176-F241 HydrophobicContact CD2-CE2 4Å; L176-F241 HydrophobicContact CD2-CZ 4.5Å
177	G	90.3	Very high	92.4	Very high	26 Å²	26	37.8 Å²	37.8	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	24.9	173.6	0	0	0	0	0	114.7	E173 V174 L175 P235 D236	E173-G177 PolarHBondContact O-N 2.94Å; V174-G177 PolarHBondContact O-N 2.79Å; L175-G177 VanDerWaalsContact C-N 3.32Å; G177-P235 WeakPolarHBondContact O-CD 3.18Å; G177-P235 WeakPolarHBondContact O-CG 3.11Å; G177-D236 WeakPolarHBondContact CA-OD2 3.1Å
178	A	88.3	Confident	92.8	Very high	15 Å²	15	36.9 Å²	36.9	12%	0.124	19%	0.19	C	C	.	.			trans	-56.6	127.6	179.1	0	0	0	0	0	110.9	E173 R180 L234	E173-A178 HydrophobicContact CB-CB 4.06Å; E173-A178 WeakPolarHBondContact O-CB 3.42Å; E173-A178 PolarHBondContact O-N 3.44Å; A178-R180 PolarHBondContact O-N 2.78Å; A178-L234 HydrophobicContact CB-CD2 3.83Å
179	P	77.2	Confident	92.9	Very high	116 Å²	116	34.6 Å²	34.6	75%	0.753	18%	0.183	S	C	*	.	S	Bend	trans	-70.1	-18.2	-173.7	28.2	-36.1	0	0	0	112.7
180	R	80.2	Confident	93	Very high	227 Å²	227	34.2 Å²	34.2	86%	0.857	18%	0.181	S	C	*	.			trans	-137	134.5	179.5	-62.1	-178.1	-177	-179.6	1.4	109.1	A178	A178-R180 PolarHBondContact O-N 2.78Å
181	Y	84.2	Confident	93.2	Very high	93 Å²	93	32.3 Å²	32.3	37%	0.365	17%	0.174	S	C	.	.			trans	-143.8	160.1	174.1	55.1	-97.2	0	0	0	109.6	R127 V174 V185	R127-Y181 HydrophobicContact CG-CE2 4.48Å; V174-Y181 HydrophobicContact CG2-CD1 4.42Å; V174-Y181 HydrophobicContact CG2-CG 4.37Å; Y181-V185 HydrophobicContact CD2-CG1 4.04Å; Y181-V185 HydrophobicContact CD2-CG2 4.4Å; Y181-V185 HydrophobicContact CG-CG1 4.18Å
182	S	89.1	Confident	93.3	Very high	66 Å²	66	32.3 Å²	32.3	46%	0.462	17%	0.174	S	C	.	.			trans	-142.5	-158.7	-171.4	-167.1	0	0	0	0	110.8	P184 V185	S182-P184 VanDerWaalsContact C-N 3.26Å; S182-P184 WeakPolarHBondContact O-CD 3.44Å; S182-P184 VanDerWaalsContact O-N 3.08Å; S182-V185 VanDerWaalsContact O-CG2 3.3Å; S182-V185 WeakPolarHBondContact O-CG2 3.43Å; S182-V185 PolarHBondContact O-N 3.43Å
183	T	92.4	Very high	93.3	Very high	49 Å²	49	32.3 Å²	32.3	30%	0.301	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-30.2	179.4	58.3	0	0	0	0	116.4	H120 L125 V185 D186	H120-T183 HydrophobicContact CB-CG2 3.93Å; H120-T183 VanDerWaalsContact CE1-CB 3.47Å; H120-T183 WeakPolarHBondContact CE1-CB 3.48Å; H120-T183 PolarHBondContact CE1-O 3.29Å; H120-T183 WeakPolarHBondContact ND1-CB 3.24Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å; T183-V185 PolarHBondContact O-N 3.46Å; T183-V185 VanDerWaalsContact O-N 3.17Å; T183-D186 PolarHBondContact O-N 3.34Å
184	P	96.9	Very high	93.5	Very high	23 Å²	23	32.1 Å²	32.1	15%	0.149	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-25	178.7	-27.2	38.1	0	0	0	114.6	S182 D186 V187 W188 P272 R275	S182-P184 VanDerWaalsContact C-N 3.26Å; S182-P184 WeakPolarHBondContact O-CD 3.44Å; S182-P184 VanDerWaalsContact O-N 3.08Å; P184-D186 VanDerWaalsContact C-N 3.3Å; P184-D186 PolarHBondContact O-N 2.91Å; P184-V187 PolarHBondContact O-N 3.05Å; P184-W188 PolarHBondContact O-N 3.3Å; P184-P272 HydrophobicContact CB-CB 3.85Å; P184-P272 HydrophobicContact CG-CB 4Å; P184-P272 WeakPolarHBondContact CG-O 3.24Å; P184-R275 HydrophobicContact CB-CB 4.42Å; P184-R275 WeakPolarHBondContact O-CD 3.41Å; P184-R275 PolarHBondContact O-NH1 2.78Å
185	V	95.4	Very high	93.7	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-39.1	179.5	-56	0	0	0	0	111.6	A171 E173 V174 Y181 S182 T183 W188 S189	A171-V185 HydrophobicContact CB-CB 4.17Å; A171-V185 HydrophobicContact CB-CG1 4.21Å; E173-V185 HydrophobicContact CG-CG1 4.18Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.45Å; V174-V185 HydrophobicContact CG2-CG1 3.82Å; Y181-V185 HydrophobicContact CD2-CG1 4.04Å; Y181-V185 HydrophobicContact CD2-CG2 4.4Å; Y181-V185 HydrophobicContact CG-CG1 4.18Å; S182-V185 VanDerWaalsContact O-CG2 3.3Å; S182-V185 WeakPolarHBondContact O-CG2 3.43Å; S182-V185 PolarHBondContact O-N 3.43Å; T183-V185 PolarHBondContact O-N 3.46Å; T183-V185 VanDerWaalsContact O-N 3.17Å; V185-W188 PolarHBondContact O-N 3.21Å; V185-S189 PolarHBondContact O-N 2.99Å; V185-S189 PolarHBondContact O-OG 3.23Å
186	D	96.3	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.3	-37.9	177.8	-66.2	-31.9	0	0	0	110.5	I116 H120 H126 R127 L129 T183 P184 W188 S189 I190	I116-D186 HydrophobicContact CD1-CB 3.99Å; I116-D186 HydrophobicContact CG1-CB 3.93Å; H120-D186 IonicContact CD2-OD2 2.95Å; H120-D186 IonicContact CE1-OD2 3.2Å; H120-D186 IonicContact NE2-OD2 2.73Å; H120-D186 PolarHBondContact NE2-OD2 3.29Å; H126-D186 WeakPolarHBondContact CB-OD1 3.45Å; H126-D186 PolarHBondContact N-OD1 3.24Å; H126-D186 PolarHBondContact N-OD2 3.21Å; R127-D186 PolarHBondContact N-OD1 3.39Å; L129-D186 HydrophobicContact CD1-CB 3.9Å; T183-D186 PolarHBondContact O-N 3.34Å; P184-D186 VanDerWaalsContact C-N 3.3Å; P184-D186 PolarHBondContact O-N 2.91Å; D186-W188 VanDerWaalsContact C-N 3.32Å; D186-W188 PolarHBondContact O-N 3.2Å; D186-S189 PolarHBondContact O-N 3.46Å; D186-I190 VanDerWaalsContact O-CG1 3.26Å; D186-I190 WeakPolarHBondContact O-CG1 3.44Å; D186-I190 PolarHBondContact O-N 2.95Å
187	V	98.7	Very high	93.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-37.8	177	-178.1	0	0	0	0	111.5	P184 I190 G191 T267 R275 I276	P184-V187 PolarHBondContact O-N 3.05Å; V187-I190 PolarHBondContact O-N 3.19Å; V187-G191 PolarHBondContact O-N 2.99Å; V187-T267 HydrophobicContact CG1-CG2 3.99Å; V187-R275 HydrophobicContact CG1-CG 4.41Å; V187-I276 HydrophobicContact CG1-CG2 4.21Å; V187-I276 WeakPolarHBondContact CG1-O 3.3Å
188	W	98.8	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-48.5	173.8	178	-82.3	0	0	0	111.5	R170 A171 P172 P184 V185 D186 I190 G191 T192 F204 I216 L220 L268	R170-W188 PolarHBondContact O-NE1 2.87Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; A171-W188 VanDerWaalsContact CA-CD1 3.42Å; A171-W188 HydrophobicContact CB-CB 3.76Å; A171-W188 HydrophobicContact CB-CD2 4.32Å; A171-W188 HydrophobicContact CB-CG 3.71Å; P172-W188 VanDerWaalsContact CD-CE2 3.5Å; P172-W188 HydrophobicContact CG-CE3 4.18Å; P172-W188 HydrophobicContact CG-CH2 3.83Å; P172-W188 HydrophobicContact CG-CZ2 4.23Å; P172-W188 HydrophobicContact CG-CZ3 3.81Å; P184-W188 PolarHBondContact O-N 3.3Å; V185-W188 PolarHBondContact O-N 3.21Å; D186-W188 VanDerWaalsContact C-N 3.32Å; D186-W188 PolarHBondContact O-N 3.2Å; W188-I190 VanDerWaalsContact C-N 3.27Å; W188-I190 PolarHBondContact O-N 2.76Å; W188-G191 WeakPolarHBondContact O-CA 3.46Å; W188-G191 PolarHBondContact O-N 3.01Å; W188-T192 PolarHBondContact O-N 2.73Å; W188-F204 HydrophobicContact CZ2-CD2 4.36Å; W188-F204 AromaticContact CZ2-CE2 3.71Å; W188-F204 HydrophobicContact CZ2-CE2 3.71Å; W188-F204 HydrophobicContact CZ2-CZ 4.46Å; W188-I216 HydrophobicContact CH2-CG2 3.78Å; W188-I216 HydrophobicContact CZ2-CD1 3.88Å; W188-I216 HydrophobicContact CZ2-CG1 4.03Å; W188-I216 HydrophobicContact CZ2-CG2 3.88Å; W188-L220 HydrophobicContact CH2-CD1 3.61Å; W188-L220 HydrophobicContact CZ2-CD1 4.49Å; W188-L220 HydrophobicContact CZ3-CD1 4.22Å; W188-L268 HydrophobicContact CD2-CD2 3.98Å; W188-L268 HydrophobicContact CE3-CD2 4.04Å; W188-L268 HydrophobicContact CH2-CD2 4.38Å; W188-L268 HydrophobicContact CZ2-CD2 4.3Å; W188-L268 HydrophobicContact CZ3-CB 4.22Å; W188-L268 HydrophobicContact CZ3-CD2 4.26Å; W188-L268 WeakPolarHBondContact CZ3-O 3.36Å
189	S	98.3	Very high	94.6	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-40.1	176.1	-54.2	0	0	0	0	111.8	Y169 V185 D186 G191 T192 I193	Y169-S189 WeakPolarHBondContact O-CA 3.45Å; Y169-S189 WeakPolarHBondContact O-CB 3.22Å; Y169-S189 PolarHBondContact O-OG 3.2Å; V185-S189 PolarHBondContact O-N 2.99Å; V185-S189 PolarHBondContact O-OG 3.23Å; D186-S189 PolarHBondContact O-N 3.46Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.78Å; S189-T192 PolarHBondContact O-N 3.25Å; S189-T192 PolarHBondContact O-OG1 2.84Å; S189-I193 WeakPolarHBondContact O-CB 3.35Å; S189-I193 WeakPolarHBondContact O-CD1 3.41Å; S189-I193 WeakPolarHBondContact O-CG1 3.3Å; S189-I193 PolarHBondContact O-N 3.34Å
190	I	98.8	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-39.3	175.1	-67.6	166.3	0	0	0	111.1	L109 I112 L113 I116 L129 D186 V187 W188 I193 F194	L109-I190 HydrophobicContact CD1-CG2 3.61Å; I112-I190 HydrophobicContact CG2-CB 4.49Å; I112-I190 HydrophobicContact CG2-CD1 3.8Å; I112-I190 HydrophobicContact CG2-CG1 3.67Å; I112-I190 HydrophobicContact CG2-CG2 4.05Å; L113-I190 HydrophobicContact CD2-CD1 4.42Å; L113-I190 HydrophobicContact CD2-CG2 4.12Å; I116-I190 HydrophobicContact CB-CD1 3.97Å; I116-I190 HydrophobicContact CG1-CD1 4.13Å; I116-I190 HydrophobicContact CG2-CD1 3.55Å; L129-I190 HydrophobicContact CD1-CD1 3.9Å; L129-I190 HydrophobicContact CD1-CG1 3.69Å; D186-I190 VanDerWaalsContact O-CG1 3.26Å; D186-I190 WeakPolarHBondContact O-CG1 3.44Å; D186-I190 PolarHBondContact O-N 2.95Å; V187-I190 PolarHBondContact O-N 3.19Å; W188-I190 VanDerWaalsContact C-N 3.27Å; W188-I190 PolarHBondContact O-N 2.76Å; I190-I193 PolarHBondContact O-N 3.3Å; I190-F194 WeakPolarHBondContact O-CB 3.3Å; I190-F194 PolarHBondContact O-N 3.09Å
191	G	98.7	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-45.4	174.1	0	0	0	0	0	112.7	V187 W188 S189 F194 A195 L264 T267	V187-G191 PolarHBondContact O-N 2.99Å; W188-G191 WeakPolarHBondContact O-CA 3.46Å; W188-G191 PolarHBondContact O-N 3.01Å; S189-G191 VanDerWaalsContact C-N 3.33Å; S189-G191 PolarHBondContact O-N 2.78Å; G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 3.1Å; G191-A195 PolarHBondContact O-N 3.04Å; G191-A195 VanDerWaalsContact O-N 3.13Å; G191-L264 WeakPolarHBondContact O-CD1 3.31Å; G191-T267 WeakPolarHBondContact CA-OG1 3.39Å
192	T	98.5	Very high	96.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-68.3	-37.2	177	58.7	0	0	0	0	112.3	Y169 W188 S189 A195 E196 L203 F204 L268	Y169-T192 WeakPolarHBondContact CD1-OG1 3.47Å; W188-T192 PolarHBondContact O-N 2.73Å; S189-T192 PolarHBondContact O-N 3.25Å; S189-T192 PolarHBondContact O-OG1 2.84Å; T192-A195 PolarHBondContact O-N 3.23Å; T192-E196 PolarHBondContact O-N 3.45Å; T192-E196 VanDerWaalsContact O-N 3.1Å; T192-L203 HydrophobicContact CG2-CD2 4.46Å; T192-F204 HydrophobicContact CG2-CD2 3.6Å; T192-F204 HydrophobicContact CG2-CE2 3.64Å; T192-L268 HydrophobicContact CG2-CD2 4.05Å
193	I	98.6	Very high	97	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-40.3	171.3	-69.6	159.2	0	0	0	111.1	L87 I112 L129 P131 L134 Y169 S189 I190 A195 E196 L197	L87-I193 HydrophobicContact CD2-CG2 4.13Å; I112-I193 HydrophobicContact CD1-CG2 4.4Å; L129-I193 HydrophobicContact CB-CD1 4.14Å; P131-I193 HydrophobicContact CG-CG1 4.42Å; L134-I193 HydrophobicContact CD1-CD1 4.01Å; L134-I193 HydrophobicContact CD1-CG2 3.89Å; Y169-I193 HydrophobicContact CD1-CD1 4.48Å; Y169-I193 HydrophobicContact CD1-CG1 3.77Å; Y169-I193 HydrophobicContact CE1-CG1 3.95Å; S189-I193 WeakPolarHBondContact O-CB 3.35Å; S189-I193 WeakPolarHBondContact O-CD1 3.41Å; S189-I193 WeakPolarHBondContact O-CG1 3.3Å; S189-I193 PolarHBondContact O-N 3.34Å; I190-I193 PolarHBondContact O-N 3.3Å; I193-A195 PolarHBondContact O-N 3.08Å; I193-E196 CarbonylContact O-C 3.55Å; I193-E196 PolarHBondContact O-N 2.94Å; I193-E196 VanDerWaalsContact O-N 3.1Å; I193-L197 HydrophobicContact CG2-CD1 4.3Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 3.36Å
194	F	98.7	Very high	97.3	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-45.1	178.2	176.8	-153.2	0	0	0	111.6	V105 L109 I190 G191 E196 L197 A198 L256 G260 L263 L264 Y286	V105-F194 HydrophobicContact CG1-CD2 4.04Å; V105-F194 HydrophobicContact CG1-CE2 3.84Å; L109-F194 HydrophobicContact CD1-CB 3.9Å; L109-F194 HydrophobicContact CD1-CD2 4.46Å; L109-F194 HydrophobicContact CD1-CG 4.1Å; L109-F194 HydrophobicContact CD2-CB 4.38Å; L109-F194 HydrophobicContact CD2-CD1 3.73Å; L109-F194 HydrophobicContact CD2-CD2 3.65Å; L109-F194 HydrophobicContact CD2-CE1 3.8Å; L109-F194 HydrophobicContact CD2-CE2 3.74Å; L109-F194 HydrophobicContact CD2-CG 3.66Å; L109-F194 HydrophobicContact CD2-CZ 3.82Å; L109-F194 HydrophobicContact CG-CD2 4.46Å; L109-F194 HydrophobicContact CG-CG 4.45Å; I190-F194 WeakPolarHBondContact O-CB 3.3Å; I190-F194 PolarHBondContact O-N 3.09Å; G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 3.1Å; F194-E196 VanDerWaalsContact C-N 3.29Å; F194-E196 PolarHBondContact O-N 3.12Å; F194-L197 PolarHBondContact O-N 3.18Å; F194-A198 PolarHBondContact O-N 3.36Å; F194-L256 HydrophobicContact CD2-CD2 4.46Å; F194-L256 HydrophobicContact CE1-CD1 4.01Å; F194-L256 HydrophobicContact CE2-CD1 4.03Å; F194-L256 HydrophobicContact CE2-CD2 3.48Å; F194-L256 VanDerWaalsContact CE2-CD2 3.48Å; F194-L256 HydrophobicContact CE2-CG 4.43Å; F194-L256 HydrophobicContact CZ-CD1 3.71Å; F194-L256 HydrophobicContact CZ-CD2 3.59Å; F194-L256 HydrophobicContact CZ-CG 4.32Å; F194-G260 WeakPolarHBondContact CE1-O 3.33Å; F194-L263 HydrophobicContact CE1-CB 4.39Å; F194-L263 HydrophobicContact CE1-CD2 4.35Å; F194-L263 HydrophobicContact CE1-CG 4.36Å; F194-L264 HydrophobicContact CB-CD1 4.37Å; F194-L264 HydrophobicContact CD1-CB 3.9Å; F194-L264 HydrophobicContact CD1-CD1 3.88Å; F194-L264 HydrophobicContact CD1-CG 4.44Å; F194-L264 HydrophobicContact CE1-CB 3.88Å; F194-L264 HydrophobicContact CG-CD1 4.45Å; F194-Y286 HydrophobicContact CE2-CE1 4.04Å; F194-Y286 HydrophobicContact CZ-CD1 4.37Å; F194-Y286 AromaticContact CZ-CE1 3.74Å; F194-Y286 HydrophobicContact CZ-CE1 3.74Å; F194-Y286 HydrophobicContact CZ-CE2 4.41Å; F194-Y286 AromaticContact CZ-CZ 3.77Å
195	A	98.3	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.2	-38.8	173.1	0	0	0	0	0	112.2	G191 T192 I193 A198 T199 L203 V253 L264	G191-A195 PolarHBondContact O-N 3.04Å; G191-A195 VanDerWaalsContact O-N 3.13Å; T192-A195 PolarHBondContact O-N 3.23Å; I193-A195 PolarHBondContact O-N 3.08Å; A195-A198 PolarHBondContact O-N 3.36Å; A195-T199 WeakPolarHBondContact O-CB 3.46Å; A195-T199 WeakPolarHBondContact O-CG2 3.41Å; A195-T199 PolarHBondContact O-N 3.36Å; A195-T199 PolarHBondContact O-OG1 3.34Å; A195-L203 HydrophobicContact CB-CB 3.88Å; A195-L203 HydrophobicContact CB-CD1 4.05Å; A195-L203 HydrophobicContact CB-CD2 3.82Å; A195-L203 HydrophobicContact CB-CG 4.12Å; A195-V253 HydrophobicContact CB-CG1 3.65Å; A195-L264 HydrophobicContact CB-CD1 4.21Å; A195-L264 HydrophobicContact CB-CD2 4.13Å
196	E	97.8	Very high	97.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-70.5	-36.2	177.7	-175.7	166.4	-178.7	0	0	112.9	L91 Y169 T192 I193 F194 A198 T199 K200 K201	L91-E196 HydrophobicContact CD1-CG 3.94Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.26Å; Y169-E196 PolarHBondContact OH-OE2 2.86Å; T192-E196 PolarHBondContact O-N 3.45Å; T192-E196 VanDerWaalsContact O-N 3.1Å; I193-E196 CarbonylContact O-C 3.55Å; I193-E196 PolarHBondContact O-N 2.94Å; I193-E196 VanDerWaalsContact O-N 3.1Å; F194-E196 VanDerWaalsContact C-N 3.29Å; F194-E196 PolarHBondContact O-N 3.12Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 3.23Å; E196-T199 PolarHBondContact O-N 3.42Å; E196-K200 WeakPolarHBondContact O-CA 3.29Å; E196-K200 PolarHBondContact O-N 2.66Å; E196-K201 WeakPolarHBondContact CA-O 3.01Å
197	L	97.6	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-42.1	171.1	-75.7	172.1	0	0	0	111.4	L87 M100 V105 Y108 I193 F194	L87-L197 HydrophobicContact CD1-CD2 3.64Å; L87-L197 HydrophobicContact CD2-CD2 3.71Å; L87-L197 HydrophobicContact CD2-CG 4.38Å; L87-L197 HydrophobicContact CG-CD2 4.18Å; M100-L197 HydrophobicContact CE-CD2 3.57Å; M100-L197 HydrophobicContact SD-CD2 3.97Å; V105-L197 HydrophobicContact CG1-CB 3.92Å; V105-L197 HydrophobicContact CG1-CD1 4.48Å; V105-L197 HydrophobicContact CG2-CB 4.24Å; Y108-L197 HydrophobicContact CD2-CD2 4.26Å; I193-L197 HydrophobicContact CG2-CD1 4.3Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.35Å; I193-L197 PolarHBondContact O-N 3.36Å; F194-L197 PolarHBondContact O-N 3.18Å
198	A	96.9	Very high	96.6	Very high	6 Å²	6	26.1 Å²	26.1	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-76	-31.6	-178.9	0	0	0	0	0	113.5	F194 A195 E196 N255 L256	F194-A198 PolarHBondContact O-N 3.36Å; A195-A198 PolarHBondContact O-N 3.36Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 3.23Å; A198-N255 HydrophobicContact CB-CB 4.33Å; A198-N255 VanDerWaalsContact O-CB 3.26Å; A198-N255 WeakPolarHBondContact O-CB 3.28Å; A198-L256 HydrophobicContact CB-CD1 4.36Å; A198-L256 HydrophobicContact CB-CD2 3.73Å; A198-L256 HydrophobicContact CB-CG 3.77Å
199	T	95.4	Very high	96.3	Very high	21 Å²	21	29.9 Å²	29.9	13%	0.129	15%	0.153	C	C	.	.	H	α-helix	trans	-114.3	-10.5	-169	63.6	0	0	0	0	114.7	A195 E196 K201 V253	A195-T199 WeakPolarHBondContact O-CB 3.46Å; A195-T199 WeakPolarHBondContact O-CG2 3.41Å; A195-T199 PolarHBondContact O-N 3.36Å; A195-T199 PolarHBondContact O-OG1 3.34Å; E196-T199 PolarHBondContact O-N 3.42Å; T199-K201 PolarHBondContact O-N 3.07Å; T199-K201 PolarHBondContact OG1-N 3.44Å; T199-K201 PolarHBondContact OG1-O 2.88Å; T199-K201 VanDerWaalsContact OG1-O 3.12Å; T199-V253 HydrophobicContact CG2-CB 4.28Å; T199-V253 HydrophobicContact CG2-CG1 3.9Å
200	K	94.8	Very high	96.1	Very high	39 Å²	39	33 Å²	33	17%	0.17	17%	0.169	C	C	.	.	S	Bend	trans	59.7	11.3	-169.6	-56.4	167.8	52.7	-177.9	0	114.9	L91 I94 P95 Q98 Y99 E196	L91-K200 HydrophobicContact CD2-CG 4.36Å; L91-K200 WeakPolarHBondContact O-CE 3.39Å; I94-K200 HydrophobicContact CB-CD 4.13Å; I94-K200 HydrophobicContact CD1-CD 4.43Å; I94-K200 HydrophobicContact CG2-CD 3.93Å; I94-K200 PolarHBondContact O-NZ 3.15Å; P95-K200 PolarHBondContact O-NZ 3.45Å; Q98-K200 WeakPolarHBondContact O-CD 3.37Å; Q98-K200 PolarHBondContact O-NZ 2.8Å; Y99-K200 HydrophobicContact CD1-CD 4.28Å; Y99-K200 HydrophobicContact CD1-CG 4.46Å; E196-K200 WeakPolarHBondContact O-CA 3.29Å; E196-K200 PolarHBondContact O-N 2.66Å
201	K	94.1	Very high	96	Very high	153 Å²	153	34.3 Å²	34.3	67%	0.665	18%	0.175	S	C	*	.	S	Bend	trans	-127.6	139.6	-177.1	-66.5	-177.2	-178.3	-179	0	109.9	E196 T199 L203	E196-K201 WeakPolarHBondContact CA-O 3.01Å; T199-K201 PolarHBondContact O-N 3.07Å; T199-K201 PolarHBondContact OG1-N 3.44Å; T199-K201 PolarHBondContact OG1-O 2.88Å; T199-K201 VanDerWaalsContact OG1-O 3.12Å; K201-L203 PolarHBondContact O-N 3.36Å
202	P	95.9	Very high	95.9	Very high	29 Å²	29	34.3 Å²	34.3	19%	0.188	18%	0.175	C	C	.	.			trans	-56.1	129.9	172.6	-24.7	34.2	0	0	0	110.4	W168 F204 H205	W168-P202 HydrophobicContact CB-CB 4.44Å; W168-P202 HydrophobicContact CD2-CB 4.11Å; W168-P202 HydrophobicContact CD2-CG 4.26Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.39Å; W168-P202 HydrophobicContact CG-CB 4.45Å; W168-P202 HydrophobicContact CH2-CG 4.46Å; W168-P202 HydrophobicContact CZ3-CB 4.26Å; W168-P202 HydrophobicContact CZ3-CG 3.51Å; P202-F204 VanDerWaalsContact C-N 3.32Å; P202-F204 PolarHBondContact O-N 3.13Å; P202-H205 HydrophobicContact CB-CB 4.34Å
203	L	96.9	Very high	95.9	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.068	18%	0.176	C	C	.	.	S	Bend	trans	-62.2	-41.7	-179	-178.3	62.5	0	0	0	111.7	T192 A195 K201 L249 M252 V253 L268	T192-L203 HydrophobicContact CG2-CD2 4.46Å; A195-L203 HydrophobicContact CB-CB 3.88Å; A195-L203 HydrophobicContact CB-CD1 4.05Å; A195-L203 HydrophobicContact CB-CD2 3.82Å; A195-L203 HydrophobicContact CB-CG 4.12Å; K201-L203 PolarHBondContact O-N 3.36Å; L203-L249 HydrophobicContact CD1-CD1 4.43Å; L203-L249 HydrophobicContact CD2-CD1 4.26Å; L203-M252 HydrophobicContact CD1-CB 4.31Å; L203-M252 HydrophobicContact CD1-CE 3.93Å; L203-M252 HydrophobicContact CD1-SD 4.33Å; L203-M252 WeakPolarHBondContact O-CE 3.35Å; L203-V253 HydrophobicContact CD1-CG1 4.49Å; L203-L268 HydrophobicContact CD2-CD1 3.64Å
204	F	97.2	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-124.9	92.9	-179.7	-52.4	-51.9	0	0	0	109.6	W168 W188 T192 P202 G206 Q212 R215 I216 T219 L220 L268	W168-F204 VanDerWaalsContact CA-O 3.28Å; W168-F204 WeakPolarHBondContact CA-O 3.41Å; W168-F204 WeakPolarHBondContact CB-O 3.4Å; W188-F204 HydrophobicContact CZ2-CD2 4.36Å; W188-F204 AromaticContact CZ2-CE2 3.71Å; W188-F204 HydrophobicContact CZ2-CE2 3.71Å; W188-F204 HydrophobicContact CZ2-CZ 4.46Å; T192-F204 HydrophobicContact CG2-CD2 3.6Å; T192-F204 HydrophobicContact CG2-CE2 3.64Å; P202-F204 VanDerWaalsContact C-N 3.32Å; P202-F204 PolarHBondContact O-N 3.13Å; F204-G206 PolarHBondContact O-N 3.37Å; F204-Q212 PolarHBondContact O-NE2 3.33Å; F204-Q212 PolarHBondContact O-OE1 3.35Å; F204-R215 HydrophobicContact CB-CB 4.47Å; F204-I216 HydrophobicContact CB-CG1 4.26Å; F204-I216 HydrophobicContact CD1-CG1 4.02Å; F204-I216 HydrophobicContact CD2-CD1 4.41Å; F204-I216 HydrophobicContact CD2-CG1 3.65Å; F204-I216 HydrophobicContact CE1-CG1 4.26Å; F204-I216 HydrophobicContact CE2-CG1 3.91Å; F204-I216 HydrophobicContact CG-CG1 3.71Å; F204-I216 HydrophobicContact CZ-CG1 4.21Å; F204-T219 HydrophobicContact CE1-CG2 3.95Å; F204-L220 HydrophobicContact CZ-CD1 4.2Å; F204-L220 HydrophobicContact CZ-CG 4.4Å; F204-L268 HydrophobicContact CE2-CD2 4.39Å; F204-L268 HydrophobicContact CZ-CD1 4.45Å
205	H	94.8	Very high	95.7	Very high	95 Å²	95	40.8 Å²	40.8	44%	0.44	20%	0.202	S	C	.	.			trans	-95.2	64.8	-175.4	-172.1	-96.8	0	0	0	112.1	W168 P202 R215	W168-H205 AromaticContact CD2-CD2 3.81Å; W168-H205 AromaticContact CE2-CD2 3.31Å; W168-H205 AromaticContact CE2-NE2 3.72Å; W168-H205 AromaticContact CH2-CD2 3.36Å; W168-H205 WeakPolarHBondContact CH2-CD2 3.33Å; W168-H205 AromaticContact CH2-NE2 3.24Å; W168-H205 WeakPolarHBondContact CH2-NE2 3.31Å; W168-H205 AromaticContact CZ2-CD2 3.1Å; W168-H205 WeakPolarHBondContact CZ2-CD2 3.16Å; W168-H205 AromaticContact CZ2-CE1 3.95Å; W168-H205 AromaticContact CZ2-NE2 3.01Å; W168-H205 WeakPolarHBondContact CZ2-NE2 3.45Å; W168-H205 AromaticContact CZ3-CD2 3.81Å; W168-H205 AromaticContact NE1-CD2 3.9Å; P202-H205 HydrophobicContact CB-CB 4.34Å; H205-R215 VanDerWaalsContact C-CD 3.42Å; H205-R215 WeakPolarHBondContact O-CD 3.45Å; H205-R215 PolarHBondContact O-NE 3.44Å; H205-R215 PolarHBondContact O-NH2 3.47Å
206	G	94.9	Very high	95.7	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	20%	0.202	C	C	.	.			trans	-78.9	146.4	178.8	0	0	0	0	0	113.8	W168 F204 D211 Q212	W168-G206 PolarHBondContact NE1-O 3.43Å; F204-G206 PolarHBondContact O-N 3.37Å; G206-D211 VanDerWaalsContact CA-OD2 3.3Å; G206-D211 WeakPolarHBondContact CA-OD2 3.45Å; G206-Q212 VanDerWaalsContact CA-OE1 3.28Å
207	D	91.6	Very high	95.7	Very high	134 Å²	134	40.8 Å²	40.8	72%	0.717	20%	0.201	S	C	*	.	S	Bend	trans	-98.4	-12.1	176.1	62.5	14.2	0	0	0	114.2	D211	D207-D211 PolarHBondContact N-OD2 3.25Å; D207-D211 VanDerWaalsContact OD1-CB 3.24Å; D207-D211 WeakPolarHBondContact OD1-CB 3.18Å
208	S	92.5	Very high	95.6	Very high	44 Å²	44	46.6 Å²	46.6	31%	0.308	22%	0.223	S	C	.	.	S	Bend	trans	-149	164.4	-179.7	57.2	0	0	0	0	109.4	I210 D211 Q212	S208-I210 VanDerWaalsContact C-N 3.26Å; S208-I210 PolarHBondContact O-N 3.27Å; S208-D211 PolarHBondContact O-N 2.78Å; S208-D211 VanDerWaalsContact OG-CB 3.27Å; S208-D211 WeakPolarHBondContact OG-CB 3.24Å; S208-D211 PolarHBondContact OG-N 3.1Å; S208-Q212 VanDerWaalsContact O-CB 3.27Å; S208-Q212 WeakPolarHBondContact O-CB 3.37Å; S208-Q212 PolarHBondContact O-N 2.95Å
209	E	92.3	Very high	95.5	Very high	78 Å²	78	46.8 Å²	46.8	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-37.6	-178.7	-63.5	-170.1	152.5	0	0	112.1	L167 R170 L175 L213	L167-E209 HydrophobicContact CD1-CG 4.05Å; L167-E209 HydrophobicContact CD2-CG 4.2Å; R170-E209 IonicContact NH1-OE1 3.33Å; R170-E209 PolarHBondContact NH1-OE1 2.79Å; L175-E209 HydrophobicContact CD2-CB 4.09Å; L175-E209 HydrophobicContact CD2-CG 4.19Å; E209-L213 WeakPolarHBondContact O-CG 3.21Å; E209-L213 PolarHBondContact O-N 3.17Å
210	I	94.9	Very high	95.6	Very high	73 Å²	73	47 Å²	47	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-71.1	-42.1	176.9	-167.5	61	0	0	0	112.3	S208 Q212 L213 F214 F241	S208-I210 VanDerWaalsContact C-N 3.26Å; S208-I210 PolarHBondContact O-N 3.27Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.35Å; I210-L213 PolarHBondContact O-N 3.14Å; I210-F214 HydrophobicContact CD1-CD1 4.2Å; I210-F214 HydrophobicContact CD1-CE1 3.55Å; I210-F214 HydrophobicContact CD1-CE2 4.24Å; I210-F214 HydrophobicContact CD1-CZ 3.58Å; I210-F214 HydrophobicContact CG1-CD2 4.31Å; I210-F214 HydrophobicContact CG1-CE1 4.03Å; I210-F214 HydrophobicContact CG1-CE2 3.79Å; I210-F214 HydrophobicContact CG1-CZ 3.64Å; I210-F214 VanDerWaalsContact O-CG 3.32Å; I210-F214 WeakPolarHBondContact O-CG 3.45Å; I210-F214 PolarHBondContact O-N 2.91Å; I210-F241 HydrophobicContact CD1-CD1 4.41Å; I210-F241 HydrophobicContact CD1-CE1 3.71Å; I210-F241 HydrophobicContact CD1-CZ 4.31Å
211	D	95.9	Very high	95.6	Very high	26 Å²	26	45.4 Å²	45.4	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-38.8	175.4	-174.5	48.5	0	0	0	110.8	G206 D207 S208 F214 R215	G206-D211 VanDerWaalsContact CA-OD2 3.3Å; G206-D211 WeakPolarHBondContact CA-OD2 3.45Å; D207-D211 PolarHBondContact N-OD2 3.25Å; D207-D211 VanDerWaalsContact OD1-CB 3.24Å; D207-D211 WeakPolarHBondContact OD1-CB 3.18Å; S208-D211 PolarHBondContact O-N 2.78Å; S208-D211 VanDerWaalsContact OG-CB 3.27Å; S208-D211 WeakPolarHBondContact OG-CB 3.24Å; S208-D211 PolarHBondContact OG-N 3.1Å; D211-F214 PolarHBondContact O-N 3.1Å; D211-R215 WeakPolarHBondContact O-CG 3.34Å; D211-R215 PolarHBondContact O-N 3.34Å; D211-R215 IonicContact OD1-NE 2.75Å; D211-R215 IonicContact OD1-NH2 3Å; D211-R215 IonicContact OD2-CZ 2.73Å; D211-R215 IonicContact OD2-NE 3.61Å; D211-R215 PolarHBondContact OD2-NE 3Å; D211-R215 IonicContact OD2-NH2 2.8Å; D211-R215 PolarHBondContact OD2-NH2 2.92Å
212	Q	97.3	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-48.9	174	-175.5	64.6	25.5	0	0	111.4	L167 W168 L175 F204 G206 S208 I210 F214 R215 I216	L167-Q212 HydrophobicContact CB-CB 4.31Å; L167-Q212 HydrophobicContact CB-CG 4.1Å; L167-Q212 PolarHBondContact O-NE2 2.86Å; W168-Q212 PolarHBondContact O-NE2 3.01Å; L175-Q212 HydrophobicContact CD1-CB 4.32Å; L175-Q212 HydrophobicContact CD1-CG 3.61Å; L175-Q212 HydrophobicContact CD2-CG 4.31Å; F204-Q212 PolarHBondContact O-NE2 3.33Å; F204-Q212 PolarHBondContact O-OE1 3.35Å; G206-Q212 VanDerWaalsContact CA-OE1 3.28Å; S208-Q212 VanDerWaalsContact O-CB 3.27Å; S208-Q212 WeakPolarHBondContact O-CB 3.37Å; S208-Q212 PolarHBondContact O-N 2.95Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.35Å; Q212-F214 PolarHBondContact O-N 3.33Å; Q212-R215 PolarHBondContact O-N 3.43Å; Q212-I216 HydrophobicContact CG-CD1 4.28Å; Q212-I216 VanDerWaalsContact O-CG1 3.31Å; Q212-I216 WeakPolarHBondContact O-CG1 3.45Å; Q212-I216 PolarHBondContact O-N 3.07Å; Q212-I216 VanDerWaalsContact O-N 3.12Å
213	L	97.4	Very high	95.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-46.2	174.3	-79.2	171.7	0	0	0	111.9	L175 L176 E209 I210 R215 I216 F217	L175-L213 HydrophobicContact CB-CD1 4.22Å; L175-L213 HydrophobicContact CB-CD2 3.64Å; L175-L213 HydrophobicContact CB-CG 3.84Å; L175-L213 HydrophobicContact CD1-CD2 4.02Å; L175-L213 HydrophobicContact CD1-CG 4.19Å; L175-L213 HydrophobicContact CG-CD2 4.47Å; L176-L213 HydrophobicContact CD2-CD1 3.84Å; L176-L213 HydrophobicContact CD2-CD2 4.16Å; L176-L213 HydrophobicContact CG-CD1 4.44Å; L176-L213 HydrophobicContact CG-CD2 4.04Å; E209-L213 WeakPolarHBondContact O-CG 3.21Å; E209-L213 PolarHBondContact O-N 3.17Å; I210-L213 PolarHBondContact O-N 3.14Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 2.67Å; L213-I216 WeakPolarHBondContact O-CB 3.1Å; L213-I216 PolarHBondContact O-N 3.27Å; L213-F217 HydrophobicContact CB-CE2 4.15Å; L213-F217 HydrophobicContact CB-CZ 4.06Å; L213-F217 HydrophobicContact CD2-CE1 4.02Å; L213-F217 HydrophobicContact CD2-CZ 3.83Å; L213-F217 HydrophobicContact CG-CZ 4.42Å; L213-F217 VanDerWaalsContact O-CD1 3.3Å; L213-F217 WeakPolarHBondContact O-CD1 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.36Å; L213-F217 PolarHBondContact O-N 3.42Å
214	F	97.1	Very high	95.9	Very high	49 Å²	49	39.1 Å²	39.1	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-35	-179.3	-70.7	-7.7	0	0	0	113	I210 D211 Q212 F217 R218 F241 P242 W244	I210-F214 HydrophobicContact CD1-CD1 4.2Å; I210-F214 HydrophobicContact CD1-CE1 3.55Å; I210-F214 HydrophobicContact CD1-CE2 4.24Å; I210-F214 HydrophobicContact CD1-CZ 3.58Å; I210-F214 HydrophobicContact CG1-CD2 4.31Å; I210-F214 HydrophobicContact CG1-CE1 4.03Å; I210-F214 HydrophobicContact CG1-CE2 3.79Å; I210-F214 HydrophobicContact CG1-CZ 3.64Å; I210-F214 VanDerWaalsContact O-CG 3.32Å; I210-F214 WeakPolarHBondContact O-CG 3.45Å; I210-F214 PolarHBondContact O-N 2.91Å; D211-F214 PolarHBondContact O-N 3.1Å; Q212-F214 PolarHBondContact O-N 3.33Å; F214-F217 HydrophobicContact CD1-CD2 4.09Å; F214-F217 HydrophobicContact CD1-CE2 4.39Å; F214-F217 PolarHBondContact O-N 3.24Å; F214-R218 WeakPolarHBondContact O-CB 3.32Å; F214-R218 WeakPolarHBondContact O-CG 3.48Å; F214-R218 PolarHBondContact O-N 2.85Å; F214-F241 AromaticContact CE1-CD1 3.81Å; F214-F241 HydrophobicContact CE1-CD1 3.81Å; F214-F241 HydrophobicContact CE1-CE1 4.3Å; F214-F241 HydrophobicContact CE1-CG 4.37Å; F214-F241 HydrophobicContact CZ-CD1 4.31Å; F214-P242 HydrophobicContact CZ-CG 4.43Å; F214-W244 HydrophobicContact CB-CH2 3.92Å; F214-W244 HydrophobicContact CB-CZ3 4.2Å; F214-W244 AromaticContact CD1-CH2 3.99Å; F214-W244 HydrophobicContact CD1-CH2 3.99Å; F214-W244 AromaticContact CD1-CZ3 3.86Å; F214-W244 HydrophobicContact CD1-CZ3 3.86Å; F214-W244 HydrophobicContact CD2-CH2 4.26Å; F214-W244 HydrophobicContact CE1-CZ3 4.48Å; F214-W244 AromaticContact CG-CH2 3.8Å; F214-W244 HydrophobicContact CG-CH2 3.8Å; F214-W244 HydrophobicContact CG-CZ3 4.09Å
215	R	96.6	Very high	95.9	Very high	86 Å²	86	42 Å²	42	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-40.3	173.1	-72.2	174.1	-171	-90	1.9	112.4	F204 H205 D211 Q212 L213 T219	F204-R215 HydrophobicContact CB-CB 4.47Å; H205-R215 VanDerWaalsContact C-CD 3.42Å; H205-R215 WeakPolarHBondContact O-CD 3.45Å; H205-R215 PolarHBondContact O-NE 3.44Å; H205-R215 PolarHBondContact O-NH2 3.47Å; D211-R215 WeakPolarHBondContact O-CG 3.34Å; D211-R215 PolarHBondContact O-N 3.34Å; D211-R215 IonicContact OD1-NE 2.75Å; D211-R215 IonicContact OD1-NH2 3Å; D211-R215 IonicContact OD2-CZ 2.73Å; D211-R215 IonicContact OD2-NE 3.61Å; D211-R215 PolarHBondContact OD2-NE 3Å; D211-R215 IonicContact OD2-NH2 2.8Å; D211-R215 PolarHBondContact OD2-NH2 2.92Å; Q212-R215 PolarHBondContact O-N 3.43Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 2.67Å; R215-T219 PolarHBondContact O-N 2.69Å; R215-T219 PolarHBondContact O-OG1 2.81Å
216	I	97.8	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-51.4	173.3	-68.3	165.7	0	0	0	109.4	L175 W188 F204 Q212 L213 R218 T219 L220 Y270	L175-I216 HydrophobicContact CD1-CD1 3.81Å; W188-I216 HydrophobicContact CH2-CG2 3.78Å; W188-I216 HydrophobicContact CZ2-CD1 3.88Å; W188-I216 HydrophobicContact CZ2-CG1 4.03Å; W188-I216 HydrophobicContact CZ2-CG2 3.88Å; F204-I216 HydrophobicContact CB-CG1 4.26Å; F204-I216 HydrophobicContact CD1-CG1 4.02Å; F204-I216 HydrophobicContact CD2-CD1 4.41Å; F204-I216 HydrophobicContact CD2-CG1 3.65Å; F204-I216 HydrophobicContact CE1-CG1 4.26Å; F204-I216 HydrophobicContact CE2-CG1 3.91Å; F204-I216 HydrophobicContact CG-CG1 3.71Å; F204-I216 HydrophobicContact CZ-CG1 4.21Å; Q212-I216 HydrophobicContact CG-CD1 4.28Å; Q212-I216 VanDerWaalsContact O-CG1 3.31Å; Q212-I216 WeakPolarHBondContact O-CG1 3.45Å; Q212-I216 PolarHBondContact O-N 3.07Å; Q212-I216 VanDerWaalsContact O-N 3.12Å; L213-I216 WeakPolarHBondContact O-CB 3.1Å; L213-I216 PolarHBondContact O-N 3.27Å; I216-R218 PolarHBondContact O-N 2.8Å; I216-T219 PolarHBondContact O-N 3.13Å; I216-T219 VanDerWaalsContact O-N 3.07Å; I216-L220 HydrophobicContact CG2-CD1 4.16Å; I216-L220 PolarHBondContact O-N 3.37Å; I216-Y270 HydrophobicContact CG2-CE1 3.81Å; I216-Y270 WeakPolarHBondContact CG2-OH 3.37Å
217	F	97.3	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-38.9	-178.6	-58.1	-14.6	0	0	0	113	L213 F214 T219 G221 T222 P223 F241 W244 Y270	L213-F217 HydrophobicContact CB-CE2 4.15Å; L213-F217 HydrophobicContact CB-CZ 4.06Å; L213-F217 HydrophobicContact CD2-CE1 4.02Å; L213-F217 HydrophobicContact CD2-CZ 3.83Å; L213-F217 HydrophobicContact CG-CZ 4.42Å; L213-F217 VanDerWaalsContact O-CD1 3.3Å; L213-F217 WeakPolarHBondContact O-CD1 3.47Å; L213-F217 WeakPolarHBondContact O-CG 3.36Å; L213-F217 PolarHBondContact O-N 3.42Å; F214-F217 HydrophobicContact CD1-CD2 4.09Å; F214-F217 HydrophobicContact CD1-CE2 4.39Å; F214-F217 PolarHBondContact O-N 3.24Å; F217-T219 PolarHBondContact O-N 3.02Å; F217-G221 CarbonylContact O-C 3.25Å; F217-G221 VanDerWaalsContact O-C 3.25Å; F217-G221 WeakPolarHBondContact O-CA 3.47Å; F217-G221 PolarHBondContact O-N 3.46Å; F217-T222 HydrophobicContact CD2-CG2 4.12Å; F217-T222 HydrophobicContact CE2-CG2 4.43Å; F217-T222 HydrophobicContact CG-CG2 4.43Å; F217-P223 VanDerWaalsContact CD1-CD 3.48Å; F217-P223 HydrophobicContact CD1-CG 4.35Å; F217-P223 VanDerWaalsContact CE1-CD 3.41Å; F217-P223 HydrophobicContact CE1-CG 3.81Å; F217-P223 HydrophobicContact CZ-CG 4.29Å; F217-F241 HydrophobicContact CE2-CB 4.45Å; F217-F241 AromaticContact CE2-CD2 3.82Å; F217-F241 HydrophobicContact CE2-CD2 3.82Å; F217-F241 HydrophobicContact CE2-CE2 4.24Å; F217-F241 HydrophobicContact CE2-CG 4.21Å; F217-F241 HydrophobicContact CZ-CD2 4.37Å; F217-W244 HydrophobicContact CB-CD2 4.5Å; F217-W244 HydrophobicContact CB-CE3 3.53Å; F217-W244 HydrophobicContact CB-CZ3 3.94Å; F217-W244 HydrophobicContact CD2-CE3 4.4Å; F217-W244 HydrophobicContact CD2-CZ3 4.16Å; F217-W244 HydrophobicContact CG-CE3 4.5Å; F217-W244 WeakPolarHBondContact O-CB 3.42Å; F217-Y270 HydrophobicContact CD1-CE1 4.35Å; F217-Y270 WeakPolarHBondContact CD1-OH 3.28Å; F217-Y270 HydrophobicContact CE1-CE1 4.3Å
218	R	95.6	Very high	96.1	Very high	123 Å²	123	42.4 Å²	42.4	46%	0.464	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-28.4	174.2	-79	172.8	-175.9	-171.8	3.8	113	F214 I216 W244 N248	F214-R218 WeakPolarHBondContact O-CB 3.32Å; F214-R218 WeakPolarHBondContact O-CG 3.48Å; F214-R218 PolarHBondContact O-N 2.85Å; I216-R218 PolarHBondContact O-N 2.8Å; R218-W244 HydrophobicContact CG-CD2 3.71Å; R218-W244 VanDerWaalsContact CG-CE2 3.42Å; R218-W244 HydrophobicContact CG-CE3 4.35Å; R218-W244 HydrophobicContact CG-CG 3.97Å; R218-W244 HydrophobicContact CG-CH2 4.39Å; R218-W244 HydrophobicContact CG-CZ2 3.82Å; R218-N248 PolarHBondContact O-ND2 3.29Å
219	T	95.3	Very high	96.3	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-90.4	-47.3	-176.2	-54.2	0	0	0	0	111.7	F204 R215 I216 F217 N248 L249 M252	F204-T219 HydrophobicContact CE1-CG2 3.95Å; R215-T219 PolarHBondContact O-N 2.69Å; R215-T219 PolarHBondContact O-OG1 2.81Å; I216-T219 PolarHBondContact O-N 3.13Å; I216-T219 VanDerWaalsContact O-N 3.07Å; F217-T219 PolarHBondContact O-N 3.02Å; T219-N248 PolarHBondContact O-N 3.12Å; T219-L249 HydrophobicContact CG2-CD1 4.25Å; T219-M252 HydrophobicContact CG2-SD 3.51Å; T219-M252 VanDerWaalsContact CG2-SD 3.51Å
220	L	96.6	Very high	96.4	Very high	27 Å²	27	46.7 Å²	46.7	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-104.5	-6	-170.4	-54.4	179	0	0	0	113.6	W188 F204 I216 S246 L249 L268 Y270	W188-L220 HydrophobicContact CH2-CD1 3.61Å; W188-L220 HydrophobicContact CZ2-CD1 4.49Å; W188-L220 HydrophobicContact CZ3-CD1 4.22Å; F204-L220 HydrophobicContact CZ-CD1 4.2Å; F204-L220 HydrophobicContact CZ-CG 4.4Å; I216-L220 HydrophobicContact CG2-CD1 4.16Å; I216-L220 PolarHBondContact O-N 3.37Å; L220-S246 VanDerWaalsContact O-CB 3.28Å; L220-S246 WeakPolarHBondContact O-CB 3.46Å; L220-L249 HydrophobicContact CD2-CB 4.48Å; L220-L249 HydrophobicContact CD2-CD1 4.36Å; L220-L249 HydrophobicContact CD2-CD2 4.35Å; L220-L268 HydrophobicContact CD1-CB 4.05Å; L220-Y270 HydrophobicContact CB-CE2 3.75Å; L220-Y270 WeakPolarHBondContact CB-OH 3.22Å; L220-Y270 HydrophobicContact CD1-CE2 4.5Å
221	G	96.6	Very high	96.5	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	21%	0.211	C	C	.	.			trans	90.2	152.4	-171	0	0	0	0	0	112.1	F217 W244 Y270	F217-G221 CarbonylContact O-C 3.25Å; F217-G221 VanDerWaalsContact O-C 3.25Å; F217-G221 WeakPolarHBondContact O-CA 3.47Å; F217-G221 PolarHBondContact O-N 3.46Å; G221-W244 VanDerWaalsContact CA-O 3.3Å; G221-W244 WeakPolarHBondContact CA-O 3.5Å; G221-Y270 WeakPolarHBondContact O-CE2 3.49Å; G221-Y270 PolarHBondContact O-OH 2.65Å
222	T	97.6	Very high	96.6	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.08	22%	0.223	C	C	.	.			trans	-72.6	124.4	176.2	-52.8	0	0	0	0	109.4	F217 F241 P242 K243 W244	F217-T222 HydrophobicContact CD2-CG2 4.12Å; F217-T222 HydrophobicContact CE2-CG2 4.43Å; F217-T222 HydrophobicContact CG-CG2 4.43Å; T222-F241 HydrophobicContact CG2-CB 4.47Å; T222-P242 WeakPolarHBondContact CG2-O 3.43Å; T222-P242 PolarHBondContact OG1-O 3.31Å; T222-K243 HydrophobicContact CG2-CD 4.16Å; T222-K243 WeakPolarHBondContact OG1-CA 3.41Å; T222-W244 PolarHBondContact N-O 2.73Å; T222-W244 PolarHBondContact OG1-N 3.41Å
223	P	97.1	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.			trans	-68.8	151.5	-179	29.9	-35.3	0	0	0	111.1	F217 W228 V231 Y237 Y270	F217-P223 VanDerWaalsContact CD1-CD 3.48Å; F217-P223 HydrophobicContact CD1-CG 4.35Å; F217-P223 VanDerWaalsContact CE1-CD 3.41Å; F217-P223 HydrophobicContact CE1-CG 3.81Å; F217-P223 HydrophobicContact CZ-CG 4.29Å; P223-W228 HydrophobicContact CB-CE3 4.17Å; P223-W228 HydrophobicContact CG-CE3 4.42Å; P223-V231 HydrophobicContact CB-CG1 4.47Å; P223-V231 HydrophobicContact CB-CG2 4.26Å; P223-V231 HydrophobicContact CG-CG2 4.16Å; P223-Y237 PolarHBondContact O-OH 3Å; P223-Y270 HydrophobicContact CB-CD1 4.12Å; P223-Y270 HydrophobicContact CB-CD2 4.11Å; P223-Y270 HydrophobicContact CB-CE1 4.31Å; P223-Y270 HydrophobicContact CB-CE2 4.28Å; P223-Y270 HydrophobicContact CB-CG 4.04Å; P223-Y270 HydrophobicContact CG-CD1 4.17Å; P223-Y270 HydrophobicContact CG-CE1 4.01Å
224	N	96.5	Very high	96.5	Very high	50 Å²	50	51.7 Å²	51.7	27%	0.267	26%	0.262	S	S	.	.			trans	-141.3	177.5	171.5	68.4	-0.1	0	0	0	108.6	D226 I227 W228 V231	N224-D226 PolarHBondContact ND2-OD2 3.25Å; N224-D226 PolarHBondContact O-N 2.91Å; N224-D226 VanDerWaalsContact O-N 3.13Å; N224-D226 WeakPolarHBondContact OD1-CB 3.1Å; N224-D226 PolarHBondContact OD1-N 2.64Å; N224-D226 VanDerWaalsContact OD1-N 3.14Å; N224-I227 PolarHBondContact O-N 3.38Å; N224-I227 PolarHBondContact OD1-N 3.47Å; N224-I227 VanDerWaalsContact OD1-N 3.15Å; N224-W228 CarbonylContact O-C 3.59Å; N224-W228 PolarHBondContact O-N 2.9Å; N224-V231 VanDerWaalsContact C-CG1 3.41Å
225	N	97.3	Very high	96.4	Very high	62 Å²	62	53 Å²	53	33%	0.332	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.5	-178.6	-72.4	-27.7	0	0	0	114.6	W228 E230 V231 E232	N225-W228 WeakPolarHBondContact CA-O 3.3Å; N225-E230 WeakPolarHBondContact OD1-CA 3.32Å; N225-E230 PolarHBondContact OD1-N 3.12Å; N225-V231 PolarHBondContact OD1-N 3.39Å; N225-E232 VanDerWaalsContact ND2-CD 3.28Å; N225-E232 PolarHBondContact ND2-OE2 2.95Å; N225-E232 PolarHBondContact OD1-N 2.92Å
226	D	95.1	Very high	96.4	Very high	138 Å²	138	52.7 Å²	52.7	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.7	175	-53.2	-43.8	0	0	0	111.6	N224	N224-D226 PolarHBondContact ND2-OD2 3.25Å; N224-D226 PolarHBondContact O-N 2.91Å; N224-D226 VanDerWaalsContact O-N 3.13Å; N224-D226 WeakPolarHBondContact OD1-CB 3.1Å; N224-D226 PolarHBondContact OD1-N 2.64Å; N224-D226 VanDerWaalsContact OD1-N 3.14Å
227	I	94.8	Very high	96.4	Very high	88 Å²	88	53.3 Å²	53.3	45%	0.451	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-39.3	-177.5	-61.3	170.2	0	0	0	110.9	N224 Y270	N224-I227 PolarHBondContact O-N 3.38Å; N224-I227 PolarHBondContact OD1-N 3.47Å; N224-I227 VanDerWaalsContact OD1-N 3.15Å; I227-Y270 HydrophobicContact CG2-CD2 4.15Å
228	W	97.1	Very high	96.3	Very high	15 Å²	15	58.1 Å²	58.1	6%	0.057	30%	0.303	C	S	.	.	S	Bend	trans	-135.4	97.7	-179.6	-179.8	0.3	0	0	0	108.9	P172 E173 L176 P223 N224 N225 E230 V231 L234 Y270 D271 P272	P172-W228 HydrophobicContact CB-CH2 4.38Å; P172-W228 HydrophobicContact CB-CZ3 4.04Å; P172-W228 HydrophobicContact CG-CH2 4.47Å; P172-W228 HydrophobicContact CG-CZ3 4.18Å; E173-W228 HydrophobicContact CB-CH2 3.77Å; E173-W228 HydrophobicContact CB-CZ2 3.77Å; L176-W228 HydrophobicContact CD1-CH2 3.89Å; L176-W228 HydrophobicContact CD1-CZ3 3.68Å; P223-W228 HydrophobicContact CB-CE3 4.17Å; P223-W228 HydrophobicContact CG-CE3 4.42Å; N224-W228 CarbonylContact O-C 3.59Å; N224-W228 PolarHBondContact O-N 2.9Å; N225-W228 WeakPolarHBondContact CA-O 3.3Å; W228-E230 PolarHBondContact O-N 3.15Å; W228-V231 HydrophobicContact CB-CB 4.03Å; W228-V231 HydrophobicContact CB-CG1 4.36Å; W228-V231 HydrophobicContact CD2-CB 3.74Å; W228-V231 HydrophobicContact CD2-CG2 3.69Å; W228-V231 HydrophobicContact CE3-CB 3.93Å; W228-V231 HydrophobicContact CE3-CG2 3.35Å; W228-V231 HydrophobicContact CG-CB 3.8Å; W228-V231 HydrophobicContact CG-CG2 4.26Å; W228-V231 HydrophobicContact CH2-CG2 4.28Å; W228-V231 HydrophobicContact CZ3-CG2 3.69Å; W228-V231 WeakPolarHBondContact O-CB 3.34Å; W228-V231 VanDerWaalsContact O-CG1 3.29Å; W228-V231 WeakPolarHBondContact O-CG1 3.09Å; W228-V231 PolarHBondContact O-N 2.63Å; W228-L234 HydrophobicContact CH2-CD1 3.65Å; W228-L234 HydrophobicContact CZ2-CD1 3.57Å; W228-L234 HydrophobicContact CZ3-CD1 4.44Å; W228-Y270 AromaticContact CE3-CD1 3.89Å; W228-Y270 HydrophobicContact CE3-CD1 3.89Å; W228-Y270 HydrophobicContact CE3-CG 4.15Å; W228-Y270 HydrophobicContact CZ3-CD1 4.04Å; W228-D271 HydrophobicContact CB-CB 4.36Å; W228-D271 HydrophobicContact CG-CB 4.31Å; W228-P272 HydrophobicContact CZ2-CG 4.29Å
229	P	96.8	Very high	96.2	Very high	62 Å²	62	57.8 Å²	57.8	40%	0.403	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	135.6	178	-26.4	35.7	0	0	0	111.5	V231 D271	P229-V231 PolarHBondContact O-N 3.15Å; P229-D271 VanDerWaalsContact CD-OD2 3.3Å; P229-D271 WeakPolarHBondContact CD-OD2 3.01Å
230	E	94.5	Very high	96.2	Very high	150 Å²	150	63.4 Å²	63.4	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	8.2	178.4	-50.1	179.9	167	0	0	115.8	N225 W228 E232 S233	N225-E230 WeakPolarHBondContact OD1-CA 3.32Å; N225-E230 PolarHBondContact OD1-N 3.12Å; W228-E230 PolarHBondContact O-N 3.15Å; E230-E232 PolarHBondContact O-N 3.21Å; E230-S233 WeakPolarHBondContact O-CB 3.41Å; E230-S233 PolarHBondContact O-N 3.19Å
231	V	97.1	Very high	96.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-57.1	-34.1	176.5	70.2	0	0	0	0	112.2	L176 P223 N224 N225 W228 P229 S233 L234 Y237	L176-V231 HydrophobicContact CD1-CG2 3.91Å; P223-V231 HydrophobicContact CB-CG1 4.47Å; P223-V231 HydrophobicContact CB-CG2 4.26Å; P223-V231 HydrophobicContact CG-CG2 4.16Å; N224-V231 VanDerWaalsContact C-CG1 3.41Å; N225-V231 PolarHBondContact OD1-N 3.39Å; W228-V231 HydrophobicContact CB-CB 4.03Å; W228-V231 HydrophobicContact CB-CG1 4.36Å; W228-V231 HydrophobicContact CD2-CB 3.74Å; W228-V231 HydrophobicContact CD2-CG2 3.69Å; W228-V231 HydrophobicContact CE3-CB 3.93Å; W228-V231 HydrophobicContact CE3-CG2 3.35Å; W228-V231 HydrophobicContact CG-CB 3.8Å; W228-V231 HydrophobicContact CG-CG2 4.26Å; W228-V231 HydrophobicContact CH2-CG2 4.28Å; W228-V231 HydrophobicContact CZ3-CG2 3.69Å; W228-V231 WeakPolarHBondContact O-CB 3.34Å; W228-V231 VanDerWaalsContact O-CG1 3.29Å; W228-V231 WeakPolarHBondContact O-CG1 3.09Å; W228-V231 PolarHBondContact O-N 2.63Å; P229-V231 PolarHBondContact O-N 3.15Å; V231-S233 PolarHBondContact O-N 3.07Å; V231-L234 HydrophobicContact CG2-CD1 4.13Å; V231-L234 WeakPolarHBondContact O-CB 3.32Å; V231-L234 PolarHBondContact O-N 3.44Å; V231-Y237 HydrophobicContact CG1-CE2 4.35Å; V231-Y237 HydrophobicContact CG2-CD2 3.94Å; V231-Y237 HydrophobicContact CG2-CE2 4.2Å; V231-Y237 VanDerWaalsContact O-CB 3.3Å; V231-Y237 WeakPolarHBondContact O-CB 3.26Å
232	E	96.8	Very high	96.3	Very high	81 Å²	81	65.3 Å²	65.3	38%	0.379	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-71.2	-15.3	-179.7	-58.6	-175.2	-176.1	0	0	113.3	N225 E230 Y237	N225-E232 VanDerWaalsContact ND2-CD 3.28Å; N225-E232 PolarHBondContact ND2-OE2 2.95Å; N225-E232 PolarHBondContact OD1-N 2.92Å; E230-E232 PolarHBondContact O-N 3.21Å; E232-Y237 HydrophobicContact CB-CD1 4.1Å; E232-Y237 HydrophobicContact CB-CE1 3.96Å; E232-Y237 HydrophobicContact CG-CD1 4.23Å; E232-Y237 HydrophobicContact CG-CE1 3.6Å
233	S	96.1	Very high	96.2	Very high	102 Å²	102	70.8 Å²	70.8	71%	0.713	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-92.3	-2.9	176.3	-60.1	0	0	0	0	113.3	E230 V231	E230-S233 WeakPolarHBondContact O-CB 3.41Å; E230-S233 PolarHBondContact O-N 3.19Å; V231-S233 PolarHBondContact O-N 3.07Å
234	L	96.1	Very high	96.1	Very high	27 Å²	27	74.2 Å²	74.2	14%	0.141	39%	0.393	C	S	.	.	S	Bend	trans	-69.8	143.3	177	-66.1	177.9	0	0	0	111.2	L176 A178 W228 V231 D236 Y237	L176-L234 HydrophobicContact CB-CB 4.11Å; L176-L234 HydrophobicContact CB-CD1 3.69Å; L176-L234 HydrophobicContact CD1-CD1 3.9Å; L176-L234 HydrophobicContact CG-CD1 4.46Å; A178-L234 HydrophobicContact CB-CD2 3.83Å; W228-L234 HydrophobicContact CH2-CD1 3.65Å; W228-L234 HydrophobicContact CZ2-CD1 3.57Å; W228-L234 HydrophobicContact CZ3-CD1 4.44Å; V231-L234 HydrophobicContact CG2-CD1 4.13Å; V231-L234 WeakPolarHBondContact O-CB 3.32Å; V231-L234 PolarHBondContact O-N 3.44Å; L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 2.73Å; L234-D236 VanDerWaalsContact O-N 3.13Å; L234-Y237 PolarHBondContact O-N 3.2Å; L234-Y237 VanDerWaalsContact O-N 3.09Å
235	P	96.3	Very high	95.9	Very high	76 Å²	76	80.7 Å²	80.7	49%	0.494	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-41.3	-170.9	-31.2	38.4	0	0	0	114.9	L176 G177 K238	L176-P235 WeakPolarHBondContact O-CD 3.37Å; G177-P235 WeakPolarHBondContact O-CD 3.18Å; G177-P235 WeakPolarHBondContact O-CG 3.11Å; P235-K238 PolarHBondContact O-NZ 3.03Å
236	D	95.9	Very high	95.2	Very high	80 Å²	80	82.2 Å²	82.2	43%	0.428	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.6	-173.6	-57.9	-48.7	0	0	0	113.1	L176 G177 L234 F241	L176-D236 PolarHBondContact O-N 3.43Å; L176-D236 VanDerWaalsContact O-N 3.13Å; G177-D236 WeakPolarHBondContact CA-OD2 3.1Å; L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 2.73Å; L234-D236 VanDerWaalsContact O-N 3.13Å; D236-F241 WeakPolarHBondContact O-CZ 3.42Å
237	Y	97.3	Very high	94.3	Very high	13 Å²	13	78.5 Å²	78.5	5%	0.051	43%	0.428	C	S	.	.			trans	-69.3	138	172.3	-173.8	-88.2	0	0	0	111.1	L176 P223 V231 E232 L234 N239 F241 K243	L176-Y237 HydrophobicContact CD2-CD2 4.45Å; P223-Y237 PolarHBondContact O-OH 3Å; V231-Y237 HydrophobicContact CG1-CE2 4.35Å; V231-Y237 HydrophobicContact CG2-CD2 3.94Å; V231-Y237 HydrophobicContact CG2-CE2 4.2Å; V231-Y237 VanDerWaalsContact O-CB 3.3Å; V231-Y237 WeakPolarHBondContact O-CB 3.26Å; E232-Y237 HydrophobicContact CB-CD1 4.1Å; E232-Y237 HydrophobicContact CB-CE1 3.96Å; E232-Y237 HydrophobicContact CG-CD1 4.23Å; E232-Y237 HydrophobicContact CG-CE1 3.6Å; L234-Y237 PolarHBondContact O-N 3.2Å; L234-Y237 VanDerWaalsContact O-N 3.09Å; Y237-N239 WeakPolarHBondContact CE1-OD1 3.42Å; Y237-F241 HydrophobicContact CD2-CD2 4.18Å; Y237-F241 HydrophobicContact CD2-CE2 4.1Å; Y237-F241 HydrophobicContact CE2-CD2 4.22Å; Y237-F241 HydrophobicContact CG-CE2 4.4Å; Y237-K243 PolarHBondContact OH-NZ 2.99Å
238	K	96.6	Very high	93.7	Very high	100 Å²	100	78 Å²	78	44%	0.435	43%	0.426	S	S	.	.			trans	-129.2	129.9	176.3	-51.5	-64.4	165.9	-147.9	0	110.3	P235 T240 F241	P235-K238 PolarHBondContact O-NZ 3.03Å; K238-T240 PolarHBondContact O-N 2.72Å; K238-T240 VanDerWaalsContact O-N 3.1Å; K238-F241 HydrophobicContact CB-CD1 3.94Å; K238-F241 HydrophobicContact CB-CD2 4.44Å; K238-F241 HydrophobicContact CB-CE1 3.73Å; K238-F241 HydrophobicContact CB-CE2 4.28Å; K238-F241 HydrophobicContact CB-CG 4.29Å; K238-F241 HydrophobicContact CB-CZ 3.92Å; K238-F241 HydrophobicContact CG-CD1 4.5Å; K238-F241 HydrophobicContact CG-CE1 3.81Å; K238-F241 HydrophobicContact CG-CZ 3.87Å; K238-F241 VanDerWaalsContact N-CE2 3.26Å; K238-F241 WeakPolarHBondContact O-CB 3.5Å; K238-F241 VanDerWaalsContact O-CD2 3.24Å; K238-F241 WeakPolarHBondContact O-CD2 3.36Å; K238-F241 VanDerWaalsContact O-CG 3.22Å; K238-F241 WeakPolarHBondContact O-CG 3.25Å; K238-F241 PolarHBondContact O-N 3.48Å
239	N	92.8	Very high	93.3	Very high	116 Å²	116	78 Å²	78	62%	0.62	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.7	174.7	-71.6	-28.5	0	0	0	113.1	Y237 F241	Y237-N239 WeakPolarHBondContact CE1-OD1 3.42Å; N239-F241 VanDerWaalsContact C-N 3.29Å; N239-F241 PolarHBondContact O-N 3.32Å
240	T	96.1	Very high	93	Very high	128 Å²	128	78.2 Å²	78.2	79%	0.785	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.3	177.7	53	0	0	0	0	114.2	K238	K238-T240 PolarHBondContact O-N 2.72Å; K238-T240 VanDerWaalsContact O-N 3.1Å
241	F	96.9	Very high	92.7	Very high	16 Å²	16	74.2 Å²	74.2	7%	0.07	42%	0.419	C	S	.	.	S	Bend	trans	-58.1	139.4	173.9	-69	-28.4	0	0	0	111.2	L176 I210 F214 F217 T222 D236 Y237 K238 N239 K243	L176-F241 HydrophobicContact CD2-CE2 4Å; L176-F241 HydrophobicContact CD2-CZ 4.5Å; I210-F241 HydrophobicContact CD1-CD1 4.41Å; I210-F241 HydrophobicContact CD1-CE1 3.71Å; I210-F241 HydrophobicContact CD1-CZ 4.31Å; F214-F241 AromaticContact CE1-CD1 3.81Å; F214-F241 HydrophobicContact CE1-CD1 3.81Å; F214-F241 HydrophobicContact CE1-CE1 4.3Å; F214-F241 HydrophobicContact CE1-CG 4.37Å; F214-F241 HydrophobicContact CZ-CD1 4.31Å; F217-F241 HydrophobicContact CE2-CB 4.45Å; F217-F241 AromaticContact CE2-CD2 3.82Å; F217-F241 HydrophobicContact CE2-CD2 3.82Å; F217-F241 HydrophobicContact CE2-CE2 4.24Å; F217-F241 HydrophobicContact CE2-CG 4.21Å; F217-F241 HydrophobicContact CZ-CD2 4.37Å; T222-F241 HydrophobicContact CG2-CB 4.47Å; D236-F241 WeakPolarHBondContact O-CZ 3.42Å; Y237-F241 HydrophobicContact CD2-CD2 4.18Å; Y237-F241 HydrophobicContact CD2-CE2 4.1Å; Y237-F241 HydrophobicContact CE2-CD2 4.22Å; Y237-F241 HydrophobicContact CG-CE2 4.4Å; K238-F241 HydrophobicContact CB-CD1 3.94Å; K238-F241 HydrophobicContact CB-CD2 4.44Å; K238-F241 HydrophobicContact CB-CE1 3.73Å; K238-F241 HydrophobicContact CB-CE2 4.28Å; K238-F241 HydrophobicContact CB-CG 4.29Å; K238-F241 HydrophobicContact CB-CZ 3.92Å; K238-F241 HydrophobicContact CG-CD1 4.5Å; K238-F241 HydrophobicContact CG-CE1 3.81Å; K238-F241 HydrophobicContact CG-CZ 3.87Å; K238-F241 VanDerWaalsContact N-CE2 3.26Å; K238-F241 WeakPolarHBondContact O-CB 3.5Å; K238-F241 VanDerWaalsContact O-CD2 3.24Å; K238-F241 WeakPolarHBondContact O-CD2 3.36Å; K238-F241 VanDerWaalsContact O-CG 3.22Å; K238-F241 WeakPolarHBondContact O-CG 3.25Å; K238-F241 PolarHBondContact O-N 3.48Å; N239-F241 VanDerWaalsContact C-N 3.29Å; N239-F241 PolarHBondContact O-N 3.32Å; F241-K243 WeakPolarHBondContact O-CE 3.21Å
242	P	96.6	Very high	92.4	Very high	54 Å²	54	78.1 Å²	78.1	35%	0.351	44%	0.438	S	S	.	.			trans	-59.5	145.3	177.7	-18.9	30.6	0	0	0	110.7	F214 T222 W244	F214-P242 HydrophobicContact CZ-CG 4.43Å; T222-P242 WeakPolarHBondContact CG2-O 3.43Å; T222-P242 PolarHBondContact OG1-O 3.31Å; P242-W244 HydrophobicContact CB-CD2 4.26Å; P242-W244 HydrophobicContact CB-CE3 3.97Å; P242-W244 HydrophobicContact CB-CH2 3.42Å; P242-W244 VanDerWaalsContact CB-CH2 3.42Å; P242-W244 HydrophobicContact CB-CZ2 3.66Å; P242-W244 HydrophobicContact CB-CZ3 3.56Å; P242-W244 HydrophobicContact CG-CH2 3.42Å; P242-W244 VanDerWaalsContact CG-CH2 3.42Å; P242-W244 HydrophobicContact CG-CZ2 3.99Å; P242-W244 HydrophobicContact CG-CZ3 3.8Å; P242-W244 VanDerWaalsContact O-CE3 3.28Å
243	K	95.8	Very high	92.1	Very high	129 Å²	129	74.3 Å²	74.3	56%	0.561	42%	0.42	S	S	*	.			trans	-100.4	96.1	-174.6	-55.6	-61.7	177.2	179.3	0	109.8	T222 Y237 F241	T222-K243 HydrophobicContact CG2-CD 4.16Å; T222-K243 WeakPolarHBondContact OG1-CA 3.41Å; Y237-K243 PolarHBondContact OH-NZ 2.99Å; F241-K243 WeakPolarHBondContact O-CE 3.21Å
244	W	95.9	Very high	91.6	Very high	71 Å²	71	77.6 Å²	77.6	27%	0.269	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-92.7	147.9	174.6	-69.1	-77	0	0	0	111	F214 F217 R218 G221 T222 P242	F214-W244 HydrophobicContact CB-CH2 3.92Å; F214-W244 HydrophobicContact CB-CZ3 4.2Å; F214-W244 AromaticContact CD1-CH2 3.99Å; F214-W244 HydrophobicContact CD1-CH2 3.99Å; F214-W244 AromaticContact CD1-CZ3 3.86Å; F214-W244 HydrophobicContact CD1-CZ3 3.86Å; F214-W244 HydrophobicContact CD2-CH2 4.26Å; F214-W244 HydrophobicContact CE1-CZ3 4.48Å; F214-W244 AromaticContact CG-CH2 3.8Å; F214-W244 HydrophobicContact CG-CH2 3.8Å; F214-W244 HydrophobicContact CG-CZ3 4.09Å; F217-W244 HydrophobicContact CB-CD2 4.5Å; F217-W244 HydrophobicContact CB-CE3 3.53Å; F217-W244 HydrophobicContact CB-CZ3 3.94Å; F217-W244 HydrophobicContact CD2-CE3 4.4Å; F217-W244 HydrophobicContact CD2-CZ3 4.16Å; F217-W244 HydrophobicContact CG-CE3 4.5Å; F217-W244 WeakPolarHBondContact O-CB 3.42Å; R218-W244 HydrophobicContact CG-CD2 3.71Å; R218-W244 VanDerWaalsContact CG-CE2 3.42Å; R218-W244 HydrophobicContact CG-CE3 4.35Å; R218-W244 HydrophobicContact CG-CG 3.97Å; R218-W244 HydrophobicContact CG-CH2 4.39Å; R218-W244 HydrophobicContact CG-CZ2 3.82Å; G221-W244 VanDerWaalsContact CA-O 3.3Å; G221-W244 WeakPolarHBondContact CA-O 3.5Å; T222-W244 PolarHBondContact N-O 2.73Å; T222-W244 PolarHBondContact OG1-N 3.41Å; P242-W244 HydrophobicContact CB-CD2 4.26Å; P242-W244 HydrophobicContact CB-CE3 3.97Å; P242-W244 HydrophobicContact CB-CH2 3.42Å; P242-W244 VanDerWaalsContact CB-CH2 3.42Å; P242-W244 HydrophobicContact CB-CZ2 3.66Å; P242-W244 HydrophobicContact CB-CZ3 3.56Å; P242-W244 HydrophobicContact CG-CH2 3.42Å; P242-W244 VanDerWaalsContact CG-CH2 3.42Å; P242-W244 HydrophobicContact CG-CZ2 3.99Å; P242-W244 HydrophobicContact CG-CZ3 3.8Å; P242-W244 VanDerWaalsContact O-CE3 3.28Å
245	K	91.5	Very high	91.3	Very high	187 Å²	187	79.5 Å²	79.5	81%	0.813	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-89	147.6	173.2	-64.8	-174.2	179	-177.4	0	110.4
246	S	83	Confident	91.2	Very high	94 Å²	94	76.7 Å²	76.7	66%	0.657	41%	0.413	S	S	*	.	S	Bend	trans	-67.2	149.9	172.1	61.1	0	0	0	0	111.4	L220	L220-S246 VanDerWaalsContact O-CB 3.28Å; L220-S246 WeakPolarHBondContact O-CB 3.46Å
247	G	76.3	Confident	91.1	Very high	60 Å²	60	76.5 Å²	76.5	62%	0.619	41%	0.412	S	S	*	.			trans	148.9	-2.6	166.6	0	0	0	0	0	116.5
248	N	81.6	Confident	91.1	Very high	76 Å²	76	85 Å²	85	41%	0.406	45%	0.449	S	S	.	.			trans	-91.9	-10.9	-171.1	-66.3	-35.7	0	0	0	114.2	R218 T219 S250 S251 M252	R218-N248 PolarHBondContact O-ND2 3.29Å; T219-N248 PolarHBondContact O-N 3.12Å; N248-S250 PolarHBondContact O-N 3.36Å; N248-S251 WeakPolarHBondContact O-CB 3.4Å; N248-S251 PolarHBondContact O-N 2.74Å; N248-S251 VanDerWaalsContact O-N 3.09Å; N248-S251 PolarHBondContact O-OG 2.71Å; N248-M252 WeakPolarHBondContact O-CG 3.47Å; N248-M252 PolarHBondContact O-N 3.44Å
249	L	89.9	Confident	91.2	Very high	17 Å²	17	84.2 Å²	84.2	9%	0.089	45%	0.446	C	S	.	.	H	α-helix	trans	-56	-55.2	-172.6	-172.1	62.4	0	0	0	112.7	L203 T219 L220 S251 M252 V253 L264 A265 L268	L203-L249 HydrophobicContact CD1-CD1 4.43Å; L203-L249 HydrophobicContact CD2-CD1 4.26Å; T219-L249 HydrophobicContact CG2-CD1 4.25Å; L220-L249 HydrophobicContact CD2-CB 4.48Å; L220-L249 HydrophobicContact CD2-CD1 4.36Å; L220-L249 HydrophobicContact CD2-CD2 4.35Å; L249-S251 PolarHBondContact O-N 3.42Å; L249-S251 VanDerWaalsContact O-N 3.17Å; L249-M252 PolarHBondContact O-N 2.94Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.31Å; L249-V253 PolarHBondContact O-N 3.34Å; L249-L264 HydrophobicContact CD1-CD2 3.89Å; L249-L264 HydrophobicContact CD1-CG 4.37Å; L249-L264 HydrophobicContact CD2-CD2 4.32Å; L249-L264 HydrophobicContact CD2-CG 4.23Å; L249-L264 HydrophobicContact CG-CD2 4.17Å; L249-A265 HydrophobicContact CD2-CB 4.01Å; L249-L268 HydrophobicContact CD1-CD1 3.92Å; L249-L268 HydrophobicContact CD2-CD1 4.36Å
250	S	89.9	Confident	91.4	Very high	66 Å²	66	78.7 Å²	78.7	46%	0.462	42%	0.416	S	S	.	.	H	α-helix	trans	-57.8	-31.8	178.7	-46.6	0	0	0	0	113.3	N248 M252	N248-S250 PolarHBondContact O-N 3.36Å; S250-M252 VanDerWaalsContact C-N 3.34Å
251	S	89.1	Confident	91.5	Very high	66 Å²	66	74.4 Å²	74.4	46%	0.462	39%	0.388	S	S	.	.	H	α-helix	trans	-73.9	-25.8	178.3	77.3	0	0	0	0	113.2	N248 L249 K254	N248-S251 WeakPolarHBondContact O-CB 3.4Å; N248-S251 PolarHBondContact O-N 2.74Å; N248-S251 VanDerWaalsContact O-N 3.09Å; N248-S251 PolarHBondContact O-OG 2.71Å; L249-S251 PolarHBondContact O-N 3.42Å; L249-S251 VanDerWaalsContact O-N 3.17Å; S251-K254 WeakPolarHBondContact O-CE 3.2Å
252	M	89.3	Confident	91.5	Very high	81 Å²	81	77 Å²	77	40%	0.399	40%	0.403	S	S	.	.	H	α-helix	trans	-84.7	-30.8	180	-67.8	-177.2	73.3	0	0	112.6	L203 T219 N248 L249 S250	L203-M252 HydrophobicContact CD1-CB 4.31Å; L203-M252 HydrophobicContact CD1-CE 3.93Å; L203-M252 HydrophobicContact CD1-SD 4.33Å; L203-M252 WeakPolarHBondContact O-CE 3.35Å; T219-M252 HydrophobicContact CG2-SD 3.51Å; T219-M252 VanDerWaalsContact CG2-SD 3.51Å; N248-M252 WeakPolarHBondContact O-CG 3.47Å; N248-M252 PolarHBondContact O-N 3.44Å; L249-M252 PolarHBondContact O-N 2.94Å; S250-M252 VanDerWaalsContact C-N 3.34Å
253	V	91	Very high	91.6	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.006	39%	0.387	C	S	.	.			trans	-113.2	61.6	-177.8	-69.5	0	0	0	0	112.7	A195 T199 L203 L249 N255 L256 I261 L264	A195-V253 HydrophobicContact CB-CG1 3.65Å; T199-V253 HydrophobicContact CG2-CB 4.28Å; T199-V253 HydrophobicContact CG2-CG1 3.9Å; L203-V253 HydrophobicContact CD1-CG1 4.49Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.31Å; L249-V253 PolarHBondContact O-N 3.34Å; V253-N255 PolarHBondContact O-N 3.42Å; V253-N255 VanDerWaalsContact O-N 3.12Å; V253-L256 HydrophobicContact CB-CD1 4.12Å; V253-L256 HydrophobicContact CB-CG 4.42Å; V253-L256 HydrophobicContact CG2-CD1 4.19Å; V253-L256 PolarHBondContact O-N 3.41Å; V253-I261 HydrophobicContact CG2-CG1 4.32Å; V253-L264 HydrophobicContact CB-CD2 4.29Å; V253-L264 HydrophobicContact CG1-CD2 3.9Å; V253-L264 HydrophobicContact CG2-CD2 3.7Å
254	K	85.9	Confident	91.8	Very high	172 Å²	172	68.4 Å²	68.4	75%	0.748	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.8	-175.3	-62.6	-176.8	-179.3	179.8	0	114.9	S251 L256	S251-K254 WeakPolarHBondContact O-CE 3.2Å; K254-L256 VanDerWaalsContact C-N 3.31Å
255	N	89.6	Confident	91.9	Very high	66 Å²	66	67 Å²	67	35%	0.353	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.4	-177.6	-61.5	76.6	0	0	0	113.3	Y99 A198 V253	Y99-N255 WeakPolarHBondContact CD2-ND2 3.4Å; Y99-N255 VanDerWaalsContact CG-ND2 3.32Å; A198-N255 HydrophobicContact CB-CB 4.33Å; A198-N255 VanDerWaalsContact O-CB 3.26Å; A198-N255 WeakPolarHBondContact O-CB 3.28Å; V253-N255 PolarHBondContact O-N 3.42Å; V253-N255 VanDerWaalsContact O-N 3.12Å
256	L	94.2	Very high	92.2	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.089	34%	0.339	C	S	.	.	S	Bend	trans	-97.7	142.1	175.4	-68.5	-179.1	0	0	0	111.6	F194 A198 V253 K254 I261 L264	F194-L256 HydrophobicContact CD2-CD2 4.46Å; F194-L256 HydrophobicContact CE1-CD1 4.01Å; F194-L256 HydrophobicContact CE2-CD1 4.03Å; F194-L256 HydrophobicContact CE2-CD2 3.48Å; F194-L256 VanDerWaalsContact CE2-CD2 3.48Å; F194-L256 HydrophobicContact CE2-CG 4.43Å; F194-L256 HydrophobicContact CZ-CD1 3.71Å; F194-L256 HydrophobicContact CZ-CD2 3.59Å; F194-L256 HydrophobicContact CZ-CG 4.32Å; A198-L256 HydrophobicContact CB-CD1 4.36Å; A198-L256 HydrophobicContact CB-CD2 3.73Å; A198-L256 HydrophobicContact CB-CG 3.77Å; V253-L256 HydrophobicContact CB-CD1 4.12Å; V253-L256 HydrophobicContact CB-CG 4.42Å; V253-L256 HydrophobicContact CG2-CD1 4.19Å; V253-L256 PolarHBondContact O-N 3.41Å; K254-L256 VanDerWaalsContact C-N 3.31Å; L256-I261 HydrophobicContact CB-CG1 3.9Å; L256-L264 HydrophobicContact CD1-CB 4.48Å; L256-L264 HydrophobicContact CD1-CD2 3.98Å
257	D	94.9	Very high	93	Very high	76 Å²	76	57 Å²	57	41%	0.406	31%	0.309	S	S	.	.			trans	-74.2	177.1	169.6	72.9	15.2	0	0	0	111.7	K259 G260 I261	D257-K259 VanDerWaalsContact C-N 3.27Å; D257-K259 PolarHBondContact O-N 3.15Å; D257-K259 WeakPolarHBondContact OD1-CA 3.42Å; D257-K259 WeakPolarHBondContact OD1-CB 3.29Å; D257-K259 PolarHBondContact OD1-N 3.17Å; D257-G260 PolarHBondContact O-N 3.18Å; D257-G260 PolarHBondContact OD1-N 3.03Å; D257-I261 WeakPolarHBondContact O-CG1 3.47Å; D257-I261 PolarHBondContact O-N 3.17Å
258	K	96.2	Very high	94	Very high	191 Å²	191	54.4 Å²	54.4	83%	0.83	28%	0.281	S	S	*	.	H	α-helix	trans	-58.6	-37.2	-179.4	-66.5	-176.7	-179.4	178.7	0	112.8	D262	K258-D262 VanDerWaalsContact O-CB 3.3Å; K258-D262 WeakPolarHBondContact O-CB 3.3Å; K258-D262 PolarHBondContact O-N 3.28Å; K258-D262 VanDerWaalsContact O-N 3.08Å
259	K	97.9	Very high	94.8	Very high	85 Å²	85	53.6 Å²	53.6	37%	0.37	28%	0.276	S	S	.	.	H	α-helix	trans	-72.3	-36.2	-179.5	-70	175.6	159.6	-159	0	110.9	D257 L263 H284 P285 Y286 D288	D257-K259 VanDerWaalsContact C-N 3.27Å; D257-K259 PolarHBondContact O-N 3.15Å; D257-K259 WeakPolarHBondContact OD1-CA 3.42Å; D257-K259 WeakPolarHBondContact OD1-CB 3.29Å; D257-K259 PolarHBondContact OD1-N 3.17Å; K259-L263 PolarHBondContact O-N 3.14Å; K259-H284 PolarHBondContact O-CE1 3.29Å; K259-H284 VanDerWaalsContact O-CE1 3.27Å; K259-P285 HydrophobicContact CD-CB 4.29Å; K259-P285 WeakPolarHBondContact CD-O 3.49Å; K259-P285 WeakPolarHBondContact CE-O 3.36Å; K259-P285 PolarHBondContact NZ-O 3.13Å; K259-Y286 HydrophobicContact CB-CD2 4.07Å; K259-D288 IonicContact NZ-OD2 2.81Å; K259-D288 PolarHBondContact NZ-OD2 2.67Å
260	G	97.9	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-44.3	176.1	0	0	0	0	0	111.9	F194 D257 D262 L263 L264 Y286	F194-G260 WeakPolarHBondContact CE1-O 3.33Å; D257-G260 PolarHBondContact O-N 3.18Å; D257-G260 PolarHBondContact OD1-N 3.03Å; G260-D262 VanDerWaalsContact C-N 3.32Å; G260-D262 PolarHBondContact O-N 3.17Å; G260-L263 PolarHBondContact O-N 3.39Å; G260-L264 VanDerWaalsContact O-CB 3.29Å; G260-L264 WeakPolarHBondContact O-CB 3.45Å; G260-L264 PolarHBondContact O-N 2.89Å; G260-Y286 VanDerWaalsContact N-CD2 3.3Å
261	I	97.8	Very high	95.6	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-43	174.3	-66.9	169.4	0	0	0	110.8	V253 L256 D257 L264 A265	V253-I261 HydrophobicContact CG2-CG1 4.32Å; L256-I261 HydrophobicContact CB-CG1 3.9Å; D257-I261 WeakPolarHBondContact O-CG1 3.47Å; D257-I261 PolarHBondContact O-N 3.17Å; I261-L264 PolarHBondContact O-N 3.07Å; I261-A265 WeakPolarHBondContact O-CB 3.33Å; I261-A265 PolarHBondContact O-N 3.1Å
262	D	98.2	Very high	95.9	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-45.3	177.6	178.2	44.4	0	0	0	112.2	K258 G260 A265 K266 H284	K258-D262 VanDerWaalsContact O-CB 3.3Å; K258-D262 WeakPolarHBondContact O-CB 3.3Å; K258-D262 PolarHBondContact O-N 3.28Å; K258-D262 VanDerWaalsContact O-N 3.08Å; G260-D262 VanDerWaalsContact C-N 3.32Å; G260-D262 PolarHBondContact O-N 3.17Å; D262-A265 PolarHBondContact O-N 3.33Å; D262-K266 WeakPolarHBondContact O-CG 3.5Å; D262-K266 PolarHBondContact O-N 3.24Å; D262-K266 VanDerWaalsContact O-N 3.15Å; D262-K266 IonicContact OD1-NZ 3.29Å; D262-K266 PolarHBondContact OD1-NZ 2.91Å; D262-K266 IonicContact OD2-NZ 3.42Å; D262-K266 PolarHBondContact OD2-NZ 2.97Å; D262-H284 IonicContact OD2-CE1 2.74Å; D262-H284 PolarHBondContact OD2-CE1 3.01Å; D262-H284 VanDerWaalsContact OD2-CE1 3.23Å; D262-H284 IonicContact OD2-NE2 3.15Å; D262-H284 PolarHBondContact OD2-NE2 3.19Å
263	L	98.8	Very high	96.3	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-47.3	173.2	178.8	55.7	0	0	0	111.6	L109 F194 K259 G260 A265 K266 T267 I276 A281 H284 Y286 F287	L109-L263 HydrophobicContact CD2-CD2 3.8Å; F194-L263 HydrophobicContact CE1-CB 4.39Å; F194-L263 HydrophobicContact CE1-CD2 4.35Å; F194-L263 HydrophobicContact CE1-CG 4.36Å; K259-L263 PolarHBondContact O-N 3.14Å; G260-L263 PolarHBondContact O-N 3.39Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 3.2Å; L263-K266 PolarHBondContact O-N 3.27Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L263-T267 HydrophobicContact CD1-CG2 4.46Å; L263-T267 WeakPolarHBondContact O-CG2 3.42Å; L263-T267 PolarHBondContact O-N 2.86Å; L263-I276 HydrophobicContact CD1-CD1 4.23Å; L263-A281 HydrophobicContact CD1-CB 3.96Å; L263-H284 HydrophobicContact CD1-CB 3.92Å; L263-H284 HydrophobicContact CD2-CB 4.42Å; L263-Y286 HydrophobicContact CD2-CD1 3.72Å; L263-Y286 HydrophobicContact CD2-CG 4.18Å; L263-F287 HydrophobicContact CD2-CD2 4.49Å; L263-F287 HydrophobicContact CD2-CE2 3.56Å; L263-F287 HydrophobicContact CD2-CZ 3.74Å
264	L	98.6	Very high	96.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-47.1	179.4	178.6	63.3	0	0	0	111.1	G191 F194 A195 L249 V253 L256 G260 I261 K266 T267 L268	G191-L264 WeakPolarHBondContact O-CD1 3.31Å; F194-L264 HydrophobicContact CB-CD1 4.37Å; F194-L264 HydrophobicContact CD1-CB 3.9Å; F194-L264 HydrophobicContact CD1-CD1 3.88Å; F194-L264 HydrophobicContact CD1-CG 4.44Å; F194-L264 HydrophobicContact CE1-CB 3.88Å; F194-L264 HydrophobicContact CG-CD1 4.45Å; A195-L264 HydrophobicContact CB-CD1 4.21Å; A195-L264 HydrophobicContact CB-CD2 4.13Å; L249-L264 HydrophobicContact CD1-CD2 3.89Å; L249-L264 HydrophobicContact CD1-CG 4.37Å; L249-L264 HydrophobicContact CD2-CD2 4.32Å; L249-L264 HydrophobicContact CD2-CG 4.23Å; L249-L264 HydrophobicContact CG-CD2 4.17Å; V253-L264 HydrophobicContact CB-CD2 4.29Å; V253-L264 HydrophobicContact CG1-CD2 3.9Å; V253-L264 HydrophobicContact CG2-CD2 3.7Å; L256-L264 HydrophobicContact CD1-CB 4.48Å; L256-L264 HydrophobicContact CD1-CD2 3.98Å; G260-L264 VanDerWaalsContact O-CB 3.29Å; G260-L264 WeakPolarHBondContact O-CB 3.45Å; G260-L264 PolarHBondContact O-N 2.89Å; I261-L264 PolarHBondContact O-N 3.07Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 3.3Å; L264-T267 PolarHBondContact O-N 3.09Å; L264-T267 VanDerWaalsContact O-N 3.09Å; L264-T267 PolarHBondContact O-OG1 3.13Å; L264-L268 HydrophobicContact CD1-CD1 3.86Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.04Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 2.6Å; L264-L268 VanDerWaalsContact O-N 3.14Å
265	A	98.1	Very high	97.2	Very high	42 Å²	42	48.1 Å²	48.1	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-41.7	177.2	0	0	0	0	0	111.8	L249 I261 D262 L263 T267 L268 I269	L249-A265 HydrophobicContact CD2-CB 4.01Å; I261-A265 WeakPolarHBondContact O-CB 3.33Å; I261-A265 PolarHBondContact O-N 3.1Å; D262-A265 PolarHBondContact O-N 3.33Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 3.2Å; A265-T267 VanDerWaalsContact C-N 3.34Å; A265-T267 PolarHBondContact O-N 3.13Å; A265-L268 CarbonylContact O-C 3.55Å; A265-L268 PolarHBondContact O-N 3.47Å; A265-I269 PolarHBondContact O-N 3.24Å
266	K	98.7	Very high	97.6	Very high	67 Å²	67	45.8 Å²	45.8	29%	0.291	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-31.6	176.9	-69.5	-173.1	-175.9	84.1	0	113.5	D262 L263 L264 L268 I276 H284	D262-K266 WeakPolarHBondContact O-CG 3.5Å; D262-K266 PolarHBondContact O-N 3.24Å; D262-K266 VanDerWaalsContact O-N 3.15Å; D262-K266 IonicContact OD1-NZ 3.29Å; D262-K266 PolarHBondContact OD1-NZ 2.91Å; D262-K266 IonicContact OD2-NZ 3.42Å; D262-K266 PolarHBondContact OD2-NZ 2.97Å; L263-K266 PolarHBondContact O-N 3.27Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 3.3Å; K266-L268 VanDerWaalsContact C-N 3.31Å; K266-I276 HydrophobicContact CB-CB 4.01Å; K266-I276 HydrophobicContact CB-CD1 4.19Å; K266-I276 HydrophobicContact CB-CG2 3.97Å; K266-I276 HydrophobicContact CD-CD1 3.95Å; K266-I276 WeakPolarHBondContact O-CG2 3.15Å; K266-I276 PolarHBondContact O-N 2.76Å; K266-H284 PolarHBondContact NZ-NE2 3.32Å
267	T	98.7	Very high	97.8	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-21.3	173.5	62.6	0	0	0	0	113.5	V187 G191 L263 L264 A265 R275 I276	V187-T267 HydrophobicContact CG1-CG2 3.99Å; G191-T267 WeakPolarHBondContact CA-OG1 3.39Å; L263-T267 HydrophobicContact CD1-CG2 4.46Å; L263-T267 WeakPolarHBondContact O-CG2 3.42Å; L263-T267 PolarHBondContact O-N 2.86Å; L264-T267 PolarHBondContact O-N 3.09Å; L264-T267 VanDerWaalsContact O-N 3.09Å; L264-T267 PolarHBondContact O-OG1 3.13Å; A265-T267 VanDerWaalsContact C-N 3.34Å; A265-T267 PolarHBondContact O-N 3.13Å; T267-R275 VanDerWaalsContact O-CD 3.24Å; T267-R275 WeakPolarHBondContact O-CD 3.28Å; T267-R275 WeakPolarHBondContact O-CG 3.4Å; T267-I276 HydrophobicContact CG2-CG2 3.77Å
268	L	98.5	Very high	98	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	19.3	-176.8	-61.6	178.7	0	0	0	113.3	W188 T192 L203 F204 L220 L249 L264 A265 K266 Y270	W188-L268 HydrophobicContact CD2-CD2 3.98Å; W188-L268 HydrophobicContact CE3-CD2 4.04Å; W188-L268 HydrophobicContact CH2-CD2 4.38Å; W188-L268 HydrophobicContact CZ2-CD2 4.3Å; W188-L268 HydrophobicContact CZ3-CB 4.22Å; W188-L268 HydrophobicContact CZ3-CD2 4.26Å; W188-L268 WeakPolarHBondContact CZ3-O 3.36Å; T192-L268 HydrophobicContact CG2-CD2 4.05Å; L203-L268 HydrophobicContact CD2-CD1 3.64Å; F204-L268 HydrophobicContact CE2-CD2 4.39Å; F204-L268 HydrophobicContact CZ-CD1 4.45Å; L220-L268 HydrophobicContact CD1-CB 4.05Å; L249-L268 HydrophobicContact CD1-CD1 3.92Å; L249-L268 HydrophobicContact CD2-CD1 4.36Å; L264-L268 HydrophobicContact CD1-CD1 3.86Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.04Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 2.6Å; L264-L268 VanDerWaalsContact O-N 3.14Å; A265-L268 CarbonylContact O-C 3.55Å; A265-L268 PolarHBondContact O-N 3.47Å; K266-L268 VanDerWaalsContact C-N 3.31Å; L268-Y270 PolarHBondContact O-N 3.18Å
269	I	98.4	Very high	98.1	Very high	59 Å²	59	41.6 Å²	41.6	30%	0.303	21%	0.213	S	C	.	.			trans	-63.9	131.5	171.6	-68.8	172	0	0	0	109.1	A265 D271 K274 R275	A265-I269 PolarHBondContact O-N 3.24Å; I269-D271 HydrophobicContact CG2-CB 4.3Å; I269-K274 WeakPolarHBondContact CD1-O 3.44Å; I269-K274 HydrophobicContact CG2-CB 3.89Å; I269-R275 HydrophobicContact CB-CB 4.31Å; I269-R275 PolarHBondContact O-NE 2.78Å; I269-R275 PolarHBondContact O-NH2 2.88Å
270	Y	98.1	Very high	98.1	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.035	22%	0.222	C	C	.	.	S	Bend	trans	-58.2	-60.1	178.7	-82.9	-66	0	0	0	112.2	P172 I216 F217 L220 G221 P223 I227 W228 L268 P272 R275	P172-Y270 HydrophobicContact CB-CD1 4.19Å; P172-Y270 HydrophobicContact CB-CE1 4.21Å; P172-Y270 HydrophobicContact CG-CD1 3.85Å; P172-Y270 HydrophobicContact CG-CE1 4.2Å; I216-Y270 HydrophobicContact CG2-CE1 3.81Å; I216-Y270 WeakPolarHBondContact CG2-OH 3.37Å; F217-Y270 HydrophobicContact CD1-CE1 4.35Å; F217-Y270 WeakPolarHBondContact CD1-OH 3.28Å; F217-Y270 HydrophobicContact CE1-CE1 4.3Å; L220-Y270 HydrophobicContact CB-CE2 3.75Å; L220-Y270 WeakPolarHBondContact CB-OH 3.22Å; L220-Y270 HydrophobicContact CD1-CE2 4.5Å; G221-Y270 WeakPolarHBondContact O-CE2 3.49Å; G221-Y270 PolarHBondContact O-OH 2.65Å; P223-Y270 HydrophobicContact CB-CD1 4.12Å; P223-Y270 HydrophobicContact CB-CD2 4.11Å; P223-Y270 HydrophobicContact CB-CE1 4.31Å; P223-Y270 HydrophobicContact CB-CE2 4.28Å; P223-Y270 HydrophobicContact CB-CG 4.04Å; P223-Y270 HydrophobicContact CG-CD1 4.17Å; P223-Y270 HydrophobicContact CG-CE1 4.01Å; I227-Y270 HydrophobicContact CG2-CD2 4.15Å; W228-Y270 AromaticContact CE3-CD1 3.89Å; W228-Y270 HydrophobicContact CE3-CD1 3.89Å; W228-Y270 HydrophobicContact CE3-CG 4.15Å; W228-Y270 HydrophobicContact CZ3-CD1 4.04Å; L268-Y270 PolarHBondContact O-N 3.18Å; Y270-P272 WeakPolarHBondContact O-CD 3.1Å; Y270-P272 VanDerWaalsContact O-N 3.1Å; Y270-R275 PolarHBondContact O-NH2 2.99Å
271	D	97.7	Very high	98.2	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.07	22%	0.222	C	C	.	.	S	Bend	trans	-59	104.9	-178	-173	-3.8	0	0	0	110.8	W228 P229 I269 P273 K274 R275	W228-D271 HydrophobicContact CB-CB 4.36Å; W228-D271 HydrophobicContact CG-CB 4.31Å; P229-D271 VanDerWaalsContact CD-OD2 3.3Å; P229-D271 WeakPolarHBondContact CD-OD2 3.01Å; I269-D271 HydrophobicContact CG2-CB 4.3Å; D271-P273 WeakPolarHBondContact OD1-CD 3.36Å; D271-K274 HydrophobicContact CB-CB 4.14Å; D271-K274 HydrophobicContact CB-CD 4.18Å; D271-K274 HydrophobicContact CB-CG 4.28Å; D271-K274 PolarHBondContact O-N 3.09Å; D271-K274 WeakPolarHBondContact OD2-CD 3.09Å; D271-K274 WeakPolarHBondContact OD2-CE 3.3Å; D271-K274 WeakPolarHBondContact OD2-CG 3.48Å; D271-K274 IonicContact OD2-NZ 3.88Å; D271-K274 PolarHBondContact OD2-NZ 2.8Å; D271-R275 PolarHBondContact O-N 2.92Å
272	P	96.4	Very high	98.1	Very high	22 Å²	22	42.4 Å²	42.4	14%	0.143	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.6	-170.2	-21.7	32.3	0	0	0	114	E173 P184 W228 Y270 K274 R275	E173-P272 HydrophobicContact CB-CG 4.19Å; E173-P272 HydrophobicContact CG-CG 4.12Å; P184-P272 HydrophobicContact CB-CB 3.85Å; P184-P272 HydrophobicContact CG-CB 4Å; P184-P272 WeakPolarHBondContact CG-O 3.24Å; W228-P272 HydrophobicContact CZ2-CG 4.29Å; Y270-P272 WeakPolarHBondContact O-CD 3.1Å; Y270-P272 VanDerWaalsContact O-N 3.1Å; P272-K274 VanDerWaalsContact C-N 3.28Å; P272-K274 PolarHBondContact O-N 3.17Å; P272-R275 WeakPolarHBondContact O-CB 3.39Å; P272-R275 PolarHBondContact O-N 2.87Å
273	P	96.3	Very high	98.1	Very high	116 Å²	116	43.5 Å²	43.5	75%	0.753	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30	169	-30	33.1	0	0	0	116.5	D271	D271-P273 WeakPolarHBondContact OD1-CD 3.36Å
274	K	98	Very high	98.1	Very high	118 Å²	118	44 Å²	44	51%	0.513	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.2	179.2	-66.4	-177.7	-172.8	134.8	0	113.1	I269 D271 P272 I276	I269-K274 WeakPolarHBondContact CD1-O 3.44Å; I269-K274 HydrophobicContact CG2-CB 3.89Å; D271-K274 HydrophobicContact CB-CB 4.14Å; D271-K274 HydrophobicContact CB-CD 4.18Å; D271-K274 HydrophobicContact CB-CG 4.28Å; D271-K274 PolarHBondContact O-N 3.09Å; D271-K274 WeakPolarHBondContact OD2-CD 3.09Å; D271-K274 WeakPolarHBondContact OD2-CE 3.3Å; D271-K274 WeakPolarHBondContact OD2-CG 3.48Å; D271-K274 IonicContact OD2-NZ 3.88Å; D271-K274 PolarHBondContact OD2-NZ 2.8Å; P272-K274 VanDerWaalsContact C-N 3.28Å; P272-K274 PolarHBondContact O-N 3.17Å; K274-I276 PolarHBondContact O-N 3.41Å
275	R	98.6	Very high	98.1	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.038	25%	0.251	C	S	.	.	S	Bend	trans	-61.3	132.7	174.9	-164.8	-179.4	-60.9	153.3	5.9	109.6	E173 P184 V187 T267 I269 Y270 D271 P272 S277	E173-R275 IonicContact OE1-CZ 3.77Å; E173-R275 IonicContact OE1-NH1 3Å; E173-R275 PolarHBondContact OE1-NH1 3.07Å; E173-R275 IonicContact OE1-NH2 2.8Å; E173-R275 PolarHBondContact OE1-NH2 3.23Å; E173-R275 IonicContact OE2-CZ 2.86Å; E173-R275 IonicContact OE2-NH1 3.23Å; E173-R275 PolarHBondContact OE2-NH1 3.29Å; E173-R275 IonicContact OE2-NH2 2.68Å; E173-R275 PolarHBondContact OE2-NH2 2.83Å; P184-R275 HydrophobicContact CB-CB 4.42Å; P184-R275 WeakPolarHBondContact O-CD 3.41Å; P184-R275 PolarHBondContact O-NH1 2.78Å; V187-R275 HydrophobicContact CG1-CG 4.41Å; T267-R275 VanDerWaalsContact O-CD 3.24Å; T267-R275 WeakPolarHBondContact O-CD 3.28Å; T267-R275 WeakPolarHBondContact O-CG 3.4Å; I269-R275 HydrophobicContact CB-CB 4.31Å; I269-R275 PolarHBondContact O-NE 2.78Å; I269-R275 PolarHBondContact O-NH2 2.88Å; Y270-R275 PolarHBondContact O-NH2 2.99Å; D271-R275 PolarHBondContact O-N 2.92Å; P272-R275 WeakPolarHBondContact O-CB 3.39Å; P272-R275 PolarHBondContact O-N 2.87Å; R275-S277 PolarHBondContact O-N 3Å
276	I	98.8	Very high	98.1	Very high	17 Å²	17	45 Å²	45	9%	0.087	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-55.6	137.3	-176.4	-165.8	170.5	0	0	0	110.7	V187 L263 K266 T267 K274 Q280 A281	V187-I276 HydrophobicContact CG1-CG2 4.21Å; V187-I276 WeakPolarHBondContact CG1-O 3.3Å; L263-I276 HydrophobicContact CD1-CD1 4.23Å; K266-I276 HydrophobicContact CB-CB 4.01Å; K266-I276 HydrophobicContact CB-CD1 4.19Å; K266-I276 HydrophobicContact CB-CG2 3.97Å; K266-I276 HydrophobicContact CD-CD1 3.95Å; K266-I276 WeakPolarHBondContact O-CG2 3.15Å; K266-I276 PolarHBondContact O-N 2.76Å; T267-I276 HydrophobicContact CG2-CG2 3.77Å; K274-I276 PolarHBondContact O-N 3.41Å; I276-Q280 HydrophobicContact CD1-CB 4Å; I276-Q280 HydrophobicContact CG1-CB 3.47Å; I276-Q280 VanDerWaalsContact CG1-CB 3.47Å; I276-A281 HydrophobicContact CD1-CB 4.03Å; I276-A281 HydrophobicContact CG1-CB 4.3Å; I276-A281 HydrophobicContact CG2-CB 4.33Å
277	S	98.6	Very high	98.1	Very high	46 Å²	46	41.9 Å²	41.9	32%	0.322	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-75.6	157.9	172	64	0	0	0	0	111.2	R275 R279 Q280 A281	R275-S277 PolarHBondContact O-N 3Å; S277-R279 PolarHBondContact O-N 3.42Å; S277-Q280 PolarHBondContact O-N 3.43Å; S277-Q280 VanDerWaalsContact O-N 3.11Å; S277-Q280 WeakPolarHBondContact OG-CB 3.3Å; S277-Q280 VanDerWaalsContact OG-CG 3.31Å; S277-Q280 WeakPolarHBondContact OG-CG 3.43Å; S277-Q280 PolarHBondContact OG-N 3.17Å; S277-Q280 PolarHBondContact OG-OE1 3.39Å; S277-A281 WeakPolarHBondContact O-CB 3.49Å; S277-A281 PolarHBondContact O-N 3.37Å
278	A	97.9	Very high	98	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-39.9	174.8	0	0	0	0	0	112.4	L113 I116 L117 A281 M282	L113-A278 HydrophobicContact CD2-CB 4.2Å; I116-A278 HydrophobicContact CG2-CB 3.65Å; L117-A278 HydrophobicContact CB-CB 4.08Å; A278-A281 PolarHBondContact O-N 2.87Å; A278-M282 WeakPolarHBondContact O-CG 3.27Å; A278-M282 PolarHBondContact O-N 3.49Å
279	R	98.1	Very high	97.7	Very high	148 Å²	148	51 Å²	51	56%	0.558	27%	0.271	S	S	*	.	H	α-helix	trans	-60.4	-47	175.7	-176.2	-179.3	-65.6	-89.6	-2.1	112.7	L117 S277 S283	L117-R279 HydrophobicContact CD1-CB 3.87Å; L117-R279 HydrophobicContact CD2-CB 4.16Å; S277-R279 PolarHBondContact O-N 3.42Å; R279-S283 PolarHBondContact O-N 3.04Å; R279-S283 PolarHBondContact O-OG 3.45Å
280	Q	98.6	Very high	97.5	Very high	117 Å²	117	48.9 Å²	48.9	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-39	177.8	-73.5	164	-44.3	0	0	111	I276 S277 M282 S283 H284	I276-Q280 HydrophobicContact CD1-CB 4Å; I276-Q280 HydrophobicContact CG1-CB 3.47Å; I276-Q280 VanDerWaalsContact CG1-CB 3.47Å; S277-Q280 PolarHBondContact O-N 3.43Å; S277-Q280 VanDerWaalsContact O-N 3.11Å; S277-Q280 WeakPolarHBondContact OG-CB 3.3Å; S277-Q280 VanDerWaalsContact OG-CG 3.31Å; S277-Q280 WeakPolarHBondContact OG-CG 3.43Å; S277-Q280 PolarHBondContact OG-N 3.17Å; S277-Q280 PolarHBondContact OG-OE1 3.39Å; Q280-M282 PolarHBondContact O-N 3.12Å; Q280-S283 PolarHBondContact O-N 2.92Å; Q280-S283 VanDerWaalsContact O-N 3.11Å; Q280-H284 PolarHBondContact O-N 2.96Å
281	A	98.6	Very high	96.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177.1	0	0	0	0	0	111.9	L113 L263 I276 S277 A278 S283 H284 F287	L113-A281 HydrophobicContact CD1-CB 3.85Å; L113-A281 HydrophobicContact CD2-CB 3.9Å; L263-A281 HydrophobicContact CD1-CB 3.96Å; I276-A281 HydrophobicContact CD1-CB 4.03Å; I276-A281 HydrophobicContact CG1-CB 4.3Å; I276-A281 HydrophobicContact CG2-CB 4.33Å; S277-A281 WeakPolarHBondContact O-CB 3.49Å; S277-A281 PolarHBondContact O-N 3.37Å; A278-A281 PolarHBondContact O-N 2.87Å; A281-S283 PolarHBondContact O-N 3.31Å; A281-H284 WeakPolarHBondContact O-CB 3.34Å; A281-H284 PolarHBondContact O-N 2.98Å; A281-F287 WeakPolarHBondContact O-CD2 3.2Å; A281-F287 WeakPolarHBondContact O-CE2 3.32Å
282	M	97.6	Very high	96.3	Very high	22 Å²	22	56 Å²	56	11%	0.108	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-24.6	175.9	-70.4	175.8	61.8	0	0	114.1	Y110 L113 E114 L117 A278 Q280 H284	Y110-M282 HydrophobicContact CE1-CE 3.94Å; Y110-M282 HydrophobicContact CE2-CB 4.09Å; Y110-M282 HydrophobicContact CE2-CE 4.18Å; Y110-M282 HydrophobicContact CE2-CG 4.34Å; Y110-M282 WeakPolarHBondContact OH-CE 3.4Å; L113-M282 HydrophobicContact CB-CG 3.64Å; L113-M282 HydrophobicContact CB-SD 4.33Å; L113-M282 HydrophobicContact CD1-CG 4.32Å; E114-M282 HydrophobicContact CB-CE 4.47Å; E114-M282 HydrophobicContact CG-CE 3.26Å; E114-M282 HydrophobicContact CG-SD 3.9Å; L117-M282 HydrophobicContact CB-SD 4.43Å; L117-M282 HydrophobicContact CD2-SD 3.67Å; A278-M282 WeakPolarHBondContact O-CG 3.27Å; A278-M282 PolarHBondContact O-N 3.49Å; Q280-M282 PolarHBondContact O-N 3.12Å; M282-H284 VanDerWaalsContact C-N 3.29Å
283	S	97.8	Very high	95.4	Very high	95 Å²	95	61 Å²	61	66%	0.664	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	6.2	177.1	-51.8	0	0	0	0	112.6	R279 Q280 A281	R279-S283 PolarHBondContact O-N 3.04Å; R279-S283 PolarHBondContact O-OG 3.45Å; Q280-S283 PolarHBondContact O-N 2.92Å; Q280-S283 VanDerWaalsContact O-N 3.11Å; A281-S283 PolarHBondContact O-N 3.31Å
284	H	98.7	Very high	94.3	Very high	11 Å²	11	58.1 Å²	58.1	5%	0.051	31%	0.305	C	S	.	.	S	Bend	trans	-72.7	144.4	-176.8	-163.9	-92.3	0	0	0	111.8	K259 D262 L263 K266 Q280 A281 M282 Y286 F287	K259-H284 PolarHBondContact O-CE1 3.29Å; K259-H284 VanDerWaalsContact O-CE1 3.27Å; D262-H284 IonicContact OD2-CE1 2.74Å; D262-H284 PolarHBondContact OD2-CE1 3.01Å; D262-H284 VanDerWaalsContact OD2-CE1 3.23Å; D262-H284 IonicContact OD2-NE2 3.15Å; D262-H284 PolarHBondContact OD2-NE2 3.19Å; L263-H284 HydrophobicContact CD1-CB 3.92Å; L263-H284 HydrophobicContact CD2-CB 4.42Å; K266-H284 PolarHBondContact NZ-NE2 3.32Å; Q280-H284 PolarHBondContact O-N 2.96Å; A281-H284 WeakPolarHBondContact O-CB 3.34Å; A281-H284 PolarHBondContact O-N 2.98Å; M282-H284 VanDerWaalsContact C-N 3.29Å; H284-Y286 PolarHBondContact ND1-N 3.28Å; H284-Y286 PolarHBondContact O-N 2.84Å; H284-F287 HydrophobicContact CB-CD2 4.33Å; H284-F287 PolarHBondContact O-N 3.33Å
285	P	98.4	Very high	93.2	Very high	58 Å²	58	54 Å²	54	38%	0.377	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.6	-14.4	178.2	-29.4	36.2	0	0	0	116.1	K259 F287 D288	K259-P285 HydrophobicContact CD-CB 4.29Å; K259-P285 WeakPolarHBondContact CD-O 3.49Å; K259-P285 WeakPolarHBondContact CE-O 3.36Å; K259-P285 PolarHBondContact NZ-O 3.13Å; P285-F287 PolarHBondContact O-N 3.48Å; P285-D288 WeakPolarHBondContact CA-OD1 3.43Å; P285-D288 VanDerWaalsContact CA-OD2 3.24Å; P285-D288 WeakPolarHBondContact CA-OD2 3.49Å; P285-D288 WeakPolarHBondContact CB-OD2 3.45Å; P285-D288 VanDerWaalsContact O-CG 3.31Å; P285-D288 PolarHBondContact O-N 3.1Å; P285-D288 VanDerWaalsContact O-OD2 3.1Å
286	Y	98.4	Very high	91.2	Very high	7 Å²	7	56 Å²	56	3%	0.027	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.2	174	-178.7	-113.7	0	0	0	112	K106 L109 F194 K259 G260 L263 H284	K106-Y286 HydrophobicContact CB-CE1 4.09Å; K106-Y286 HydrophobicContact CD-CE1 4.45Å; K106-Y286 WeakPolarHBondContact CD-O 3.4Å; K106-Y286 WeakPolarHBondContact CE-O 3.42Å; K106-Y286 HydrophobicContact CG-CD1 4.23Å; K106-Y286 HydrophobicContact CG-CE1 3.81Å; K106-Y286 PolarHBondContact NZ-O 2.86Å; L109-Y286 HydrophobicContact CD2-CD1 4.35Å; L109-Y286 HydrophobicContact CD2-CE1 4.06Å; F194-Y286 HydrophobicContact CE2-CE1 4.04Å; F194-Y286 HydrophobicContact CZ-CD1 4.37Å; F194-Y286 AromaticContact CZ-CE1 3.74Å; F194-Y286 HydrophobicContact CZ-CE1 3.74Å; F194-Y286 HydrophobicContact CZ-CE2 4.41Å; F194-Y286 AromaticContact CZ-CZ 3.77Å; K259-Y286 HydrophobicContact CB-CD2 4.07Å; G260-Y286 VanDerWaalsContact N-CD2 3.3Å; L263-Y286 HydrophobicContact CD2-CD1 3.72Å; L263-Y286 HydrophobicContact CD2-CG 4.18Å; H284-Y286 PolarHBondContact ND1-N 3.28Å; H284-Y286 PolarHBondContact O-N 2.84Å
287	F	97.8	Very high	88.8	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-104	8.9	-177.4	-57.5	-67	0	0	0	114.3	K106 L109 Y110 L113 L263 A281 H284 P285 D289 L290	K106-F287 HydrophobicContact CD-CD1 4.36Å; K106-F287 HydrophobicContact CG-CD1 3.6Å; K106-F287 HydrophobicContact CG-CE1 3.93Å; L109-F287 HydrophobicContact CB-CE1 4.35Å; L109-F287 HydrophobicContact CB-CZ 4.37Å; L109-F287 HydrophobicContact CD2-CE1 4.18Å; L109-F287 HydrophobicContact CD2-CZ 3.67Å; L109-F287 HydrophobicContact CG-CE1 4.32Å; L109-F287 HydrophobicContact CG-CZ 3.85Å; Y110-F287 HydrophobicContact CD2-CB 4.09Å; Y110-F287 AromaticContact CD2-CD1 3.67Å; Y110-F287 HydrophobicContact CD2-CD1 3.67Å; Y110-F287 HydrophobicContact CD2-CD2 4.02Å; Y110-F287 HydrophobicContact CD2-CE1 4.01Å; Y110-F287 HydrophobicContact CD2-CE2 4.33Å; Y110-F287 AromaticContact CD2-CG 3.67Å; Y110-F287 HydrophobicContact CD2-CG 3.67Å; Y110-F287 HydrophobicContact CD2-CZ 4.32Å; Y110-F287 HydrophobicContact CE2-CB 4.31Å; Y110-F287 HydrophobicContact CE2-CD2 4.5Å; Y110-F287 HydrophobicContact CE2-CG 4.27Å; Y110-F287 HydrophobicContact CG-CD1 4.33Å; Y110-F287 HydrophobicContact CG-CE1 4.44Å; L113-F287 HydrophobicContact CD1-CE2 3.88Å; L113-F287 HydrophobicContact CD1-CZ 3.77Å; L263-F287 HydrophobicContact CD2-CD2 4.49Å; L263-F287 HydrophobicContact CD2-CE2 3.56Å; L263-F287 HydrophobicContact CD2-CZ 3.74Å; A281-F287 WeakPolarHBondContact O-CD2 3.2Å; A281-F287 WeakPolarHBondContact O-CE2 3.32Å; H284-F287 HydrophobicContact CB-CD2 4.33Å; H284-F287 PolarHBondContact O-N 3.33Å; P285-F287 PolarHBondContact O-N 3.48Å; F287-D289 VanDerWaalsContact C-N 3.26Å; F287-D289 PolarHBondContact O-N 3.37Å; F287-L290 HydrophobicContact CD1-CD2 4.14Å; F287-L290 PolarHBondContact O-N 2.64Å
288	D	96	Very high	86.2	Confident	107 Å²	107	58.1 Å²	58.1	57%	0.572	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.5	-176	-65.9	-22.9	0	0	0	113.1	K259 P285	K259-D288 IonicContact NZ-OD2 2.81Å; K259-D288 PolarHBondContact NZ-OD2 2.67Å; P285-D288 WeakPolarHBondContact CA-OD1 3.43Å; P285-D288 VanDerWaalsContact CA-OD2 3.24Å; P285-D288 WeakPolarHBondContact CA-OD2 3.49Å; P285-D288 WeakPolarHBondContact CB-OD2 3.45Å; P285-D288 VanDerWaalsContact O-CG 3.31Å; P285-D288 PolarHBondContact O-N 3.1Å; P285-D288 VanDerWaalsContact O-OD2 3.1Å
289	D	93.8	Very high	83.2	Confident	92 Å²	92	63.3 Å²	63.3	49%	0.492	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	0.5	-179.2	62.3	-39.9	0	0	0	113	K106 F287	K106-D289 IonicContact NZ-OD1 3.37Å; K106-D289 PolarHBondContact NZ-OD1 2.88Å; K106-D289 IonicContact NZ-OD2 3.46Å; K106-D289 PolarHBondContact NZ-OD2 2.93Å; F287-D289 VanDerWaalsContact C-N 3.26Å; F287-D289 PolarHBondContact O-N 3.37Å
290	L	92.6	Very high	80.4	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	34%	0.34	C	S	.	.	S	Bend	trans	-83	120.1	173.4	-175.8	68.4	0	0	0	109	M103 K106 Y110 F287 K292 L295	M103-L290 HydrophobicContact SD-CD1 3.75Å; K106-L290 HydrophobicContact CD-CB 3.99Å; K106-L290 HydrophobicContact CG-CB 4.25Å; K106-L290 HydrophobicContact CG-CD1 4.32Å; K106-L290 HydrophobicContact CG-CD2 4.29Å; Y110-L290 HydrophobicContact CD1-CD2 4.35Å; Y110-L290 HydrophobicContact CD2-CD2 4.08Å; Y110-L290 HydrophobicContact CG-CD2 3.76Å; F287-L290 HydrophobicContact CD1-CD2 4.14Å; F287-L290 PolarHBondContact O-N 2.64Å; L290-K292 PolarHBondContact O-N 2.9Å; L290-L295 HydrophobicContact CD2-CD1 4.06Å
291	D	86.9	Confident	77.4	Confident	78 Å²	78	63 Å²	63	42%	0.417	36%	0.356	S	S	.	.			trans	-70.7	104.1	169.8	177.5	13.3	0	0	0	110.1	T293 T294	D291-T293 VanDerWaalsContact C-N 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.32Å; D291-T293 PolarHBondContact OD1-N 3.26Å; D291-T293 PolarHBondContact OD1-OG1 2.86Å; D291-T293 PolarHBondContact OD2-OG1 3Å; D291-T294 PolarHBondContact O-OG1 3.23Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.24Å; D291-T294 PolarHBondContact OD2-OG1 3.46Å
292	K	84.6	Confident	74.9	Confident	93 Å²	93	68.8 Å²	68.8	40%	0.404	39%	0.385	S	S	.	.	S	Bend	trans	-77.6	-18.6	-178.5	-64.5	161.1	-172	176.6	0	112.5	Y110 L290 T294 L295	Y110-K292 HydrophobicContact CE1-CG 4.23Å; Y110-K292 HydrophobicContact CE2-CD 4.28Å; Y110-K292 HydrophobicContact CE2-CG 4.44Å; Y110-K292 WeakPolarHBondContact OH-CD 3.27Å; L290-K292 PolarHBondContact O-N 2.9Å; K292-T294 VanDerWaalsContact C-N 3.28Å; K292-L295 HydrophobicContact CB-CD1 4.47Å; K292-L295 HydrophobicContact CG-CD1 4.47Å; K292-L295 PolarHBondContact O-N 2.93Å
293	T	78.5	Confident	73.7	Confident	128 Å²	128	71.2 Å²	71.2	79%	0.785	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.8	-178.2	69.2	0	0	0	0	112.3	D291	D291-T293 VanDerWaalsContact C-N 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.32Å; D291-T293 PolarHBondContact OD1-N 3.26Å; D291-T293 PolarHBondContact OD1-OG1 2.86Å; D291-T293 PolarHBondContact OD2-OG1 3Å
294	T	72.4	Confident	72.5	Confident	55 Å²	55	69.9 Å²	69.9	34%	0.337	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5.3	176.5	49	0	0	0	0	112.7	D291 K292 P296 A297	D291-T294 PolarHBondContact O-OG1 3.23Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.24Å; D291-T294 PolarHBondContact OD2-OG1 3.46Å; K292-T294 VanDerWaalsContact C-N 3.28Å; T294-P296 CarbonylContact O-C 2.99Å; T294-A297 WeakPolarHBondContact O-CA 3.24Å; T294-A297 PolarHBondContact O-N 2.75Å; T294-A297 VanDerWaalsContact O-N 3.15Å
295	L	75.4	Confident	71	Confident	32 Å²	32	73.2 Å²	73.2	17%	0.168	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	134	174.8	-67.1	178.3	0	0	0	111.4	S107 Y110 Q111 L290 K292 A297	S107-L295 WeakPolarHBondContact OG-CD2 3.22Å; Y110-L295 HydrophobicContact CD1-CD1 3.33Å; Y110-L295 HydrophobicContact CE1-CD1 3.72Å; Y110-L295 HydrophobicContact CG-CD1 4.16Å; Q111-L295 HydrophobicContact CG-CD2 4.44Å; L290-L295 HydrophobicContact CD2-CD1 4.06Å; K292-L295 HydrophobicContact CB-CD1 4.47Å; K292-L295 HydrophobicContact CG-CD1 4.47Å; K292-L295 PolarHBondContact O-N 2.93Å; L295-A297 HydrophobicContact CD2-CB 4.43Å
296	P	55.1	Low	69.4	Low	53 Å²	53	74.1 Å²	74.1	34%	0.344	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	cis	-72.6	132.1	-3.6	29.7	-32.9	0	0	0	112.1	V141 T294 S298	V141-P296 HydrophobicContact CB-CB 4.11Å; V141-P296 HydrophobicContact CG1-CB 4.36Å; V141-P296 HydrophobicContact CG2-CB 3.47Å; V141-P296 VanDerWaalsContact CG2-CB 3.47Å; V141-P296 HydrophobicContact CG2-CG 3.58Å; T294-P296 CarbonylContact O-C 2.99Å; P296-S298 PolarHBondContact O-N 3.27Å
297	A	48.8	Very low	67.6	Low	12 Å²	12	78.3 Å²	78.3	10%	0.099	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	95.3	-167.2	0	0	0	0	0	113.5	K139 T294 L295 T299	K139-A297 CarbonylContact O-C 3.38Å; T294-A297 WeakPolarHBondContact O-CA 3.24Å; T294-A297 PolarHBondContact O-N 2.75Å; T294-A297 VanDerWaalsContact O-N 3.15Å; L295-A297 HydrophobicContact CD2-CB 4.43Å; A297-T299 PolarHBondContact O-N 3.46Å
298	S	43.4	Very low	65.6	Low	94 Å²	94	83.4 Å²	83.4	66%	0.657	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	2.9	179.4	56.8	0	0	0	0	115.2	P296	P296-S298 PolarHBondContact O-N 3.27Å
299	T	35.7	Very low	63.4	Low	112 Å²	112	81.7 Å²	81.7	69%	0.687	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-0.5	-165.5	18	0	0	0	0	115.8	A297 K301	A297-T299 PolarHBondContact O-N 3.46Å; T299-K301 PolarHBondContact O-N 3.03Å
300	V	39.4	Very low	61	Low	51 Å²	51	80.9 Å²	80.9	31%	0.309	45%	0.445	S	S	.	.			trans	-91.7	104.3	170.2	-172.1	0	0	0	0	108.2	M302	V300-M302 PolarHBondContact O-N 3.1Å
301	K	35.4	Very low	58.4	Low	207 Å²	207	86.4 Å²	86.4	90%	0.9	48%	0.476	S	S	*	.			trans	-62.2	108.5	164.5	-75.4	-175.4	177.7	-179.8	0	107.2	T299	T299-K301 PolarHBondContact O-N 3.03Å
302	M	45.4	Very low	55.8	Low	122 Å²	122	87.2 Å²	87.2	60%	0.601	48%	0.481	S	S	*	.			trans	-66.2	0	163.8	-68.9	-174.5	-175.1	0	0	110.8	Y90 Y108 I136 D137 V300	Y90-M302 HydrophobicContact CE2-SD 4.24Å; Y108-M302 WeakPolarHBondContact OH-CE 3.38Å; I136-M302 HydrophobicContact CD1-CE 4.43Å; D137-M302 VanDerWaalsContact O-CE 3.25Å; D137-M302 WeakPolarHBondContact O-CE 3.35Å; V300-M302 PolarHBondContact O-N 3.1Å

Retrieved 302 of 302 residues in 189.2 ms (Link to these results)

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