IDHC_HUMAN Loading...

Isocitrate dehydrogenase [NADP] cytoplasmic

Catalyzes the NADP(+)-dependent oxidative decarboxylation of isocitrate (D-threo-isocitrate) to 2-ketoglutarate (2-oxoglutarate), which is required by other enzymes such as the phytanoyl-CoA dioxygenase^1,2. Plays a critical role in the generation of NADPH, an important cofactor in many biosynthesis pathways³. May act as a corneal epithelial crystallin and may be involved in maintaining corneal epithelial transparency (By similarity).

AlphaFold DB , UniProt , Accession O75874, Species HUMAN (Homo sapiens, Human), Gene IDH1, Length 414 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	53.6	Low	89.7	Confident	241 Å²	241	68.2 Å²	68.2	100%	1.187	37%	0.368	S	S	*	.				0	138.3	0	-69.6	179.4	-170	0	0	107.2
2	S	69.3	Low	90.4	Very high	87 Å²	87	62.6 Å²	62.6	61%	0.608	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-59.8	149.5	167.4	44	0	0	0	0	109.3	K4	S2-K4 PolarHBondContact O-N 3.5Å
3	K	86	Confident	91.1	Very high	194 Å²	194	57.8 Å²	57.8	84%	0.843	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.9	129.5	174.5	-177.8	-175.9	172.9	-172.8	0	108.1
4	K	94.9	Very high	91.5	Very high	91 Å²	91	56.2 Å²	56.2	40%	0.396	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.3	149.9	174.4	-64.4	-174.9	-175.2	-177.4	0	110.6	S2 S6 F32 Y34 E36	S2-K4 PolarHBondContact O-N 3.5Å; K4-S6 PolarHBondContact O-N 3.04Å; K4-F32 WeakPolarHBondContact CD-O 3.35Å; K4-F32 WeakPolarHBondContact CE-O 3.38Å; K4-F32 PolarHBondContact NZ-O 3.16Å; K4-Y34 CarbonylContact C-O 3.6Å; K4-Y34 WeakPolarHBondContact CA-O 3.28Å; K4-E36 HydrophobicContact CB-CB 4.23Å; K4-E36 HydrophobicContact CD-CB 4.47Å
5	I	96.4	Very high	91.9	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.2	172	-53.6	168.8	0	0	0	107.8	G7 Y34 V35 E36 E351 L352 F355 L414	I5-G7 PolarHBondContact O-N 3.15Å; I5-Y34 PolarHBondContact N-O 3.32Å; I5-V35 HydrophobicContact CB-CG2 4.38Å; I5-V35 HydrophobicContact CD1-CG2 4.29Å; I5-V35 CarbonylContact O-C 3.55Å; I5-V35 WeakPolarHBondContact O-CA 3.41Å; I5-E36 PolarHBondContact O-N 3.36Å; I5-E351 HydrophobicContact CG1-CB 4.36Å; I5-E351 HydrophobicContact CG2-CB 3.91Å; I5-L352 HydrophobicContact CG2-CB 4.05Å; I5-L352 HydrophobicContact CG2-CD1 4.36Å; I5-F355 HydrophobicContact CD1-CB 3.56Å; I5-F355 HydrophobicContact CD1-CD2 4.28Å; I5-F355 HydrophobicContact CD1-CG 4.01Å; I5-L414 HydrophobicContact CD1-CD2 3.32Å; I5-L414 HydrophobicContact CG1-CD2 3.8Å
6	S	96.8	Very high	92.2	Very high	82 Å²	82	49.9 Å²	49.9	57%	0.573	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.1	170.3	-174.3	0	0	0	0	108.7	K4 N349	K4-S6 PolarHBondContact O-N 3.04Å; S6-N349 PolarHBondContact O-ND2 2.57Å
7	G	96.7	Very high	92.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-2.3	-170.2	0	0	0	0	0	115.6	I5 E36 R343	I5-G7 PolarHBondContact O-N 3.15Å; G7-E36 PolarHBondContact N-O 3.03Å; G7-R343 WeakPolarHBondContact O-CG 3.46Å
8	G	97.2	Very high	92.8	Very high	19 Å²	19	45 Å²	45	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.6	-168.5	178.3	0	0	0	0	0	114.7	D38	G8-D38 PolarHBondContact O-N 3.49Å
9	S	98.4	Very high	92.9	Very high	30 Å²	30	42.6 Å²	42.6	21%	0.21	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.6	-173.8	-51.6	0	0	0	0	113	D38 H67 R343	S9-D38 CarbonylContact C-O 3.58Å; S9-D38 VanDerWaalsContact CA-O 3.24Å; S9-D38 WeakPolarHBondContact CA-O 3.36Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact OG-OD2 3.33Å; S9-H67 WeakPolarHBondContact CB-ND1 3.2Å; S9-R343 PolarHBondContact O-NE 2.61Å; S9-R343 PolarHBondContact O-NH2 3.13Å
10	V	98.6	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.1	174.4	175.2	0	0	0	0	109.1	L37 D38 L39 H40 V69 V71 W336 L340 R343	V10-L37 HydrophobicContact CG2-CD2 4.18Å; V10-D38 PolarHBondContact N-O 3.13Å; V10-L39 HydrophobicContact CB-CD1 4.05Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.4Å; V10-H40 PolarHBondContact O-N 3.31Å; V10-V69 HydrophobicContact CG1-CG1 4.23Å; V10-V69 HydrophobicContact CG2-CG1 4.13Å; V10-V71 HydrophobicContact CG1-CG1 4.15Å; V10-V71 HydrophobicContact CG1-CG2 3.65Å; V10-W336 HydrophobicContact CG1-CZ3 4.37Å; V10-L340 HydrophobicContact CG2-CD2 4.22Å; V10-R343 HydrophobicContact CG2-CG 4.47Å
11	V	98.7	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.3	171.1	-179.3	0	0	0	0	108.5	H40 Y42 A63 I64 H67 V69 G70 V71	V11-H40 CarbonylContact C-O 3.48Å; V11-H40 WeakPolarHBondContact CA-O 3.25Å; V11-H40 HydrophobicContact CG2-CB 4.16Å; V11-Y42 HydrophobicContact CG1-CD2 3.7Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; V11-A63 HydrophobicContact CG1-CB 4.13Å; V11-A63 HydrophobicContact CG2-CB 3.84Å; V11-I64 HydrophobicContact CB-CG1 3.85Å; V11-I64 HydrophobicContact CG1-CG1 3.83Å; V11-I64 HydrophobicContact CG2-CG1 4.26Å; V11-H67 HydrophobicContact CG2-CB 3.94Å; V11-V69 PolarHBondContact N-O 3.12Å; V11-G70 CarbonylContact O-C 3.58Å; V11-G70 WeakPolarHBondContact O-CA 3.5Å; V11-V71 PolarHBondContact O-N 2.87Å
12	E	98.5	Very high	95.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.9	174.4	173.4	-175.1	-144.4	0	0	109.7	Q14 W23 K27 L39 H40 S41 Y42 V71 W336	E12-Q14 HydrophobicContact CG-CG 4.35Å; E12-W23 VanDerWaalsContact OE1-CD1 3.24Å; E12-W23 PolarHBondContact OE1-NE1 3.38Å; E12-K27 VanDerWaalsContact OE1-CD 3.28Å; E12-K27 WeakPolarHBondContact OE1-CD 3.24Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 3.74Å; E12-K27 PolarHBondContact OE1-NZ 3.37Å; E12-K27 IonicContact OE2-NZ 2.68Å; E12-K27 PolarHBondContact OE2-NZ 3.03Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.21Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 VanDerWaalsContact OE2-CD2 3.24Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.49Å; E12-H40 PolarHBondContact N-O 3.12Å; E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.48Å; E12-S41 PolarHBondContact OE2-OG 3.43Å; E12-Y42 PolarHBondContact O-N 2.98Å; E12-V71 HydrophobicContact CB-CG2 4.34Å; E12-W336 HydrophobicContact CB-CH2 4.41Å; E12-W336 HydrophobicContact CG-CH2 4.39Å; E12-W336 HydrophobicContact CG-CZ2 4.25Å
13	M	98.5	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.1	168.6	-69.1	160.9	-77.4	0	0	109.4	Y42 L44 A60 I64 V71 K72 C73 I99 E304	M13-Y42 CarbonylContact C-O 3.49Å; M13-Y42 WeakPolarHBondContact CA-O 3.43Å; M13-L44 HydrophobicContact CB-CD1 3.68Å; M13-L44 HydrophobicContact CB-CG 3.92Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.12Å; M13-L44 HydrophobicContact SD-CD1 3.88Å; M13-A60 HydrophobicContact CG-CB 3.81Å; M13-A60 HydrophobicContact SD-CB 4.01Å; M13-I64 HydrophobicContact CE-CD1 3.37Å; M13-I64 HydrophobicContact CE-CG1 4.25Å; M13-I64 HydrophobicContact SD-CD1 3.81Å; M13-V71 PolarHBondContact N-O 3.39Å; M13-K72 HydrophobicContact CB-CB 4.25Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.64Å; M13-K72 HydrophobicContact CE-CD 4.43Å; M13-K72 HydrophobicContact CE-CG 4.19Å; M13-K72 HydrophobicContact SD-CB 4.35Å; M13-K72 HydrophobicContact SD-CD 4.19Å; M13-K72 HydrophobicContact SD-CG 4.25Å; M13-C73 WeakPolarHBondContact O-CB 3.47Å; M13-C73 PolarHBondContact O-N 3.49Å; M13-I99 HydrophobicContact SD-CD1 3.52Å; M13-I99 VanDerWaalsContact SD-CD1 3.52Å; M13-I99 HydrophobicContact SD-CG1 4.45Å; M13-E304 HydrophobicContact CE-CG 3.97Å
14	Q	97.5	Very high	97.4	Very high	36 Å²	36	22 Å²	22	17%	0.168	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	157.4	173.5	-61.5	178.2	-47.4	0	0	110.1	E12 E24 Y42 L44	E12-Q14 HydrophobicContact CG-CG 4.35Å; Q14-E24 PolarHBondContact NE2-OE1 3.06Å; Q14-Y42 PolarHBondContact N-O 3.34Å; Q14-L44 WeakPolarHBondContact O-CA 3.28Å; Q14-L44 VanDerWaalsContact O-CB 3.24Å; Q14-L44 WeakPolarHBondContact O-CB 3.43Å; Q14-L44 PolarHBondContact O-N 3.45Å
15	G	96.9	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.			trans	-133.5	-147.2	-175.6	0	0	0	0	0	112.9	R20 A74	G15-R20 WeakPolarHBondContact O-CD 3.39Å; G15-R20 PolarHBondContact O-NH1 2.92Å; G15-R20 VanDerWaalsContact O-NH1 3.13Å; G15-A74 VanDerWaalsContact CA-O 3.31Å; G15-A74 WeakPolarHBondContact CA-O 2.97Å
16	D	97.8	Very high	97.6	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	10%	0.101	C	C	.	.			trans	-117.6	166.4	-165.9	-66.3	-73.2	0	0	0	113.2	T19 R20 G45 I46 A74 T75 I76 T311	D16-T19 PolarHBondContact O-N 3.45Å; D16-T19 PolarHBondContact O-OG1 3.2Å; D16-R20 PolarHBondContact O-N 3.34Å; D16-G45 WeakPolarHBondContact OD1-CA 3.2Å; D16-I46 PolarHBondContact OD1-N 3.35Å; D16-A74 PolarHBondContact N-O 3.09Å; D16-T75 VanDerWaalsContact OD2-CA 3.29Å; D16-T75 WeakPolarHBondContact OD2-CA 3.39Å; D16-I76 HydrophobicContact CB-CD1 3.86Å; D16-I76 HydrophobicContact CB-CG1 3.71Å; D16-I76 PolarHBondContact OD2-N 2.9Å; D16-T311 HydrophobicContact CB-CG2 3.98Å
17	E	96.7	Very high	97.7	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	48.5	-138.3	166	-59.8	-178.2	146.3	0	0	113.8	T19 R20 I76 R82 T311 T313 Y316	E17-T19 VanDerWaalsContact C-N 3.25Å; E17-T19 PolarHBondContact O-N 3.33Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.99Å; E17-I76 HydrophobicContact CG-CD1 3.97Å; E17-I76 HydrophobicContact CG-CG1 4.5Å; E17-R82 IonicContact OE1-CZ 3.42Å; E17-R82 IonicContact OE1-NH1 2.98Å; E17-R82 PolarHBondContact OE1-NH1 3.19Å; E17-R82 VanDerWaalsContact OE1-NH1 3.1Å; E17-R82 IonicContact OE1-NH2 2.88Å; E17-R82 PolarHBondContact OE1-NH2 2.9Å; E17-R82 IonicContact OE2-NH2 3.81Å; E17-T311 VanDerWaalsContact OE2-CB 3.23Å; E17-T311 WeakPolarHBondContact OE2-CB 3.17Å; E17-T311 PolarHBondContact OE2-OG1 2.95Å; E17-T313 VanDerWaalsContact CD-OG1 3.24Å; E17-T313 WeakPolarHBondContact OE1-CB 3.38Å; E17-T313 VanDerWaalsContact OE1-CG2 3.29Å; E17-T313 WeakPolarHBondContact OE1-CG2 3.33Å; E17-T313 PolarHBondContact OE1-OG1 3.46Å; E17-T313 VanDerWaalsContact OE1-OG1 3.09Å; E17-T313 WeakPolarHBondContact OE2-CA 3.49Å; E17-T313 WeakPolarHBondContact OE2-CB 3.4Å; E17-T313 PolarHBondContact OE2-N 3.33Å; E17-T313 PolarHBondContact OE2-OG1 3.07Å; E17-Y316 HydrophobicContact CB-CD1 3.75Å; E17-Y316 HydrophobicContact CB-CD2 4.18Å; E17-Y316 HydrophobicContact CB-CE1 4.39Å; E17-Y316 HydrophobicContact CB-CG 3.62Å; E17-Y316 HydrophobicContact CG-CD1 3.72Å; E17-Y316 HydrophobicContact CG-CE1 4.21Å; E17-Y316 HydrophobicContact CG-CG 4.14Å
18	M	97	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-29.7	-172.5	-169.5	64.9	-155.9	0	0	111.5	R20 I21 I22 T311 V312 H315 Y319 T325 T327 T394 F395	M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.29Å; M18-I21 HydrophobicContact CE-CB 4.5Å; M18-I21 HydrophobicContact CE-CG2 4.47Å; M18-I21 PolarHBondContact O-N 2.75Å; M18-I22 HydrophobicContact CE-CD1 4.22Å; M18-I22 HydrophobicContact CE-CG1 4.16Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 PolarHBondContact O-N 2.85Å; M18-I22 VanDerWaalsContact O-N 3.12Å; M18-T311 PolarHBondContact N-O 2.83Å; M18-V312 HydrophobicContact CB-CB 4.16Å; M18-H315 HydrophobicContact CB-CB 4.27Å; M18-H315 HydrophobicContact CG-CB 3.84Å; M18-H315 HydrophobicContact SD-CB 4.35Å; M18-Y319 HydrophobicContact SD-CG 4.27Å; M18-T325 HydrophobicContact CE-CG2 4.43Å; M18-T325 WeakPolarHBondContact CE-OG1 2.96Å; M18-T325 HydrophobicContact SD-CG2 4.27Å; M18-T327 HydrophobicContact CG-CG2 4.3Å; M18-T327 VanDerWaalsContact CG-OG1 3.28Å; M18-T327 WeakPolarHBondContact CG-OG1 3.1Å; M18-T394 HydrophobicContact CE-CG2 3.9Å; M18-F395 HydrophobicContact CE-CZ 4.38Å
19	T	96.2	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-35.4	175.5	44.1	0	0	0	0	112	D16 E17 I21 I22 W23 C73 A74 T311 V312	D16-T19 PolarHBondContact O-N 3.45Å; D16-T19 PolarHBondContact O-OG1 3.2Å; E17-T19 VanDerWaalsContact C-N 3.25Å; E17-T19 PolarHBondContact O-N 3.33Å; T19-I21 PolarHBondContact O-N 2.85Å; T19-I22 PolarHBondContact O-N 3.12Å; T19-W23 WeakPolarHBondContact O-CB 3.43Å; T19-W23 PolarHBondContact O-N 3.34Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; T19-A74 HydrophobicContact CG2-CB 3.96Å; T19-A74 PolarHBondContact OG1-O 2.77Å; T19-T311 PolarHBondContact N-O 2.93Å; T19-T311 WeakPolarHBondContact OG1-CA 3.48Å; T19-V312 HydrophobicContact CG2-CG2 4.05Å
20	R	97.3	Very high	97.7	Very high	79 Å²	79	21.8 Å²	21.8	30%	0.298	10%	0.099	S	C	.	.	H	α-helix	trans	-59.4	-45.2	172.7	-171.1	-176.5	-175	113	-5.2	111.8	G15 D16 E17 M18 I22 W23 E24 D43	G15-R20 WeakPolarHBondContact O-CD 3.39Å; G15-R20 PolarHBondContact O-NH1 2.92Å; G15-R20 VanDerWaalsContact O-NH1 3.13Å; D16-R20 PolarHBondContact O-N 3.34Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.99Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.29Å; R20-I22 PolarHBondContact O-N 3.2Å; R20-W23 WeakPolarHBondContact O-CB 3.28Å; R20-W23 PolarHBondContact O-N 3.4Å; R20-E24 PolarHBondContact O-N 3.04Å; R20-E24 VanDerWaalsContact O-N 3.16Å; R20-D43 IonicContact CZ-OD1 3.31Å; R20-D43 IonicContact CZ-OD2 2.87Å; R20-D43 IonicContact NH1-OD1 2.93Å; R20-D43 PolarHBondContact NH1-OD1 3.2Å; R20-D43 IonicContact NH1-OD2 3.72Å; R20-D43 PolarHBondContact NH1-OD2 3.47Å; R20-D43 VanDerWaalsContact NH1-OD2 3.14Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 3.42Å; R20-D43 PolarHBondContact NH2-OD2 3.48Å
21	I	97.7	Very high	97.7	Very high	40 Å²	40	21.8 Å²	21.8	21%	0.205	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-46.3	179.4	-53.7	-56.2	0	0	0	110.8	M18 T19 W23 E24 L25 Y319 F395	M18-I21 HydrophobicContact CE-CB 4.5Å; M18-I21 HydrophobicContact CE-CG2 4.47Å; M18-I21 PolarHBondContact O-N 2.75Å; T19-I21 PolarHBondContact O-N 2.85Å; I21-W23 VanDerWaalsContact C-N 3.34Å; I21-E24 PolarHBondContact O-N 3.34Å; I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.45Å; I21-L25 VanDerWaalsContact O-N 3.13Å; I21-Y319 HydrophobicContact CD1-CE1 3.85Å; I21-Y319 HydrophobicContact CG1-CD1 4.22Å; I21-Y319 HydrophobicContact CG1-CE1 3.89Å; I21-Y319 HydrophobicContact CG2-CE2 4.44Å; I21-F395 HydrophobicContact CG2-CE1 4.43Å
22	I	96.9	Very high	97.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-37.2	179.2	-68.9	165.4	0	0	0	111.5	M18 T19 R20 E24 L25 I26 T327 P329 T394 M398	M18-I22 HydrophobicContact CE-CD1 4.22Å; M18-I22 HydrophobicContact CE-CG1 4.16Å; M18-I22 HydrophobicContact CG-CD1 4.14Å; M18-I22 PolarHBondContact O-N 2.85Å; M18-I22 VanDerWaalsContact O-N 3.12Å; T19-I22 PolarHBondContact O-N 3.12Å; R20-I22 PolarHBondContact O-N 3.2Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.43Å; I22-L25 PolarHBondContact O-N 3.27Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 VanDerWaalsContact O-CG1 3.24Å; I22-I26 WeakPolarHBondContact O-CG1 3.37Å; I22-I26 PolarHBondContact O-N 3.27Å; I22-T327 HydrophobicContact CD1-CG2 3.21Å; I22-P329 HydrophobicContact CG2-CB 3.5Å; I22-T394 HydrophobicContact CD1-CG2 3.66Å; I22-T394 HydrophobicContact CG1-CG2 3.61Å; I22-M398 HydrophobicContact CG2-CE 3.97Å
23	W	98	Very high	97.6	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-43.6	178.4	-164.2	-98.9	0	0	0	112	E12 T19 R20 I21 K27 V71 K72 C73 A335 W336	E12-W23 VanDerWaalsContact OE1-CD1 3.24Å; E12-W23 PolarHBondContact OE1-NE1 3.38Å; T19-W23 WeakPolarHBondContact O-CB 3.43Å; T19-W23 PolarHBondContact O-N 3.34Å; R20-W23 WeakPolarHBondContact O-CB 3.28Å; R20-W23 PolarHBondContact O-N 3.4Å; I21-W23 VanDerWaalsContact C-N 3.34Å; W23-K27 PolarHBondContact O-N 3.24Å; W23-V71 HydrophobicContact CH2-CB 4.22Å; W23-V71 HydrophobicContact CZ2-CB 4.07Å; W23-V71 HydrophobicContact CZ2-CG2 4.03Å; W23-K72 VanDerWaalsContact CH2-C 3.46Å; W23-C73 HydrophobicContact CB-CB 4.36Å; W23-C73 HydrophobicContact CD2-CB 3.61Å; W23-C73 HydrophobicContact CE3-CB 3.86Å; W23-C73 HydrophobicContact CG-CB 3.84Å; W23-C73 HydrophobicContact CZ2-CB 4.45Å; W23-C73 HydrophobicContact CZ3-CB 4.4Å; W23-A335 HydrophobicContact CH2-CB 4.02Å; W23-A335 HydrophobicContact CZ3-CB 4.07Å; W23-W336 AromaticContact CD2-NE1 3.51Å; W23-W336 AromaticContact CE2-CE2 3.68Å; W23-W336 AromaticContact CE2-CZ2 3.82Å; W23-W336 AromaticContact CE2-NE1 3.15Å; W23-W336 AromaticContact CE3-NE1 3.8Å; W23-W336 AromaticContact CH2-CD1 3.61Å; W23-W336 HydrophobicContact CH2-CG 4.35Å; W23-W336 AromaticContact CH2-NE1 3.46Å; W23-W336 AromaticContact CZ2-CD1 3.81Å; W23-W336 HydrophobicContact CZ2-CD2 4.34Å; W23-W336 AromaticContact CZ2-CE2 3.51Å; W23-W336 HydrophobicContact CZ2-CG 4.5Å; W23-W336 AromaticContact CZ2-CZ2 3.84Å; W23-W336 HydrophobicContact CZ2-CZ2 3.84Å; W23-W336 AromaticContact CZ2-NE1 3.14Å; W23-W336 AromaticContact CZ3-CD1 3.77Å; W23-W336 AromaticContact CZ3-NE1 3.77Å; W23-W336 AromaticContact NE1-CE2 3.93Å; W23-W336 AromaticContact NE1-CZ2 3.61Å; W23-W336 AromaticContact NE1-NE1 3.69Å
24	E	97.9	Very high	97.5	Very high	52 Å²	52	30 Å²	30	24%	0.243	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-43.5	173.5	-64.1	-53.8	135.9	0	0	111.9	Q14 R20 I21 I22 I26 K27 E28	Q14-E24 PolarHBondContact NE2-OE1 3.06Å; R20-E24 PolarHBondContact O-N 3.04Å; R20-E24 VanDerWaalsContact O-N 3.16Å; I21-E24 PolarHBondContact O-N 3.34Å; I22-E24 VanDerWaalsContact C-N 3.33Å; I22-E24 PolarHBondContact O-N 3.43Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.01Å; E24-K27 VanDerWaalsContact CD-CE 3.42Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.76Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 WeakPolarHBondContact OE1-CE 3.3Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 2.83Å; E24-K27 WeakPolarHBondContact OE2-CE 3.5Å; E24-K27 IonicContact OE2-NZ 2.9Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å; E24-E28 WeakPolarHBondContact O-CG 3.24Å; E24-E28 PolarHBondContact O-N 3.32Å
25	L	97.8	Very high	97.6	Very high	19 Å²	19	28.4 Å²	28.4	10%	0.099	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-39.3	177	-71.4	171.9	0	0	0	113.1	I21 I22 K27 E28 K29 F395 M398	I21-L25 HydrophobicContact CG2-CD1 4.38Å; I21-L25 WeakPolarHBondContact O-CG 3.44Å; I21-L25 PolarHBondContact O-N 3.45Å; I21-L25 VanDerWaalsContact O-N 3.13Å; I22-L25 PolarHBondContact O-N 3.27Å; L25-K27 VanDerWaalsContact C-N 3.33Å; L25-E28 PolarHBondContact O-N 2.93Å; L25-K29 HydrophobicContact CD2-CD 4.39Å; L25-K29 VanDerWaalsContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 PolarHBondContact O-N 3.43Å; L25-F395 HydrophobicContact CD1-CD1 3.65Å; L25-F395 HydrophobicContact CD1-CE1 3.64Å; L25-M398 HydrophobicContact CB-CE 4.22Å; L25-M398 HydrophobicContact CB-CG 4.18Å
26	I	98.5	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-47.4	175.6	-70.6	164.2	0	0	0	109.5	I22 E24 L30 I31 S332 I333 W336 M398	I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 VanDerWaalsContact O-CG1 3.24Å; I22-I26 WeakPolarHBondContact O-CG1 3.37Å; I22-I26 PolarHBondContact O-N 3.27Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 PolarHBondContact O-N 3.01Å; I26-L30 HydrophobicContact CG1-CD1 4.47Å; I26-L30 HydrophobicContact CG2-CD1 4.45Å; I26-L30 WeakPolarHBondContact O-CA 3.4Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 2.98Å; I26-I31 HydrophobicContact CG2-CD1 3.8Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.46Å; I26-I31 VanDerWaalsContact O-N 3.16Å; I26-S332 VanDerWaalsContact CD1-CB 3.47Å; I26-I333 HydrophobicContact CD1-CG1 3.71Å; I26-I333 HydrophobicContact CG1-CG1 3.76Å; I26-I333 HydrophobicContact CG2-CG1 4.33Å; I26-W336 HydrophobicContact CG2-CG 4.29Å; I26-M398 HydrophobicContact CD1-CE 4.46Å; I26-M398 HydrophobicContact CG1-CE 3.58Å; I26-M398 HydrophobicContact CG1-SD 4.11Å
27	K	97.9	Very high	97.6	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.035	17%	0.165	C	C	.	.	I	π-helix	trans	-60.4	-52.4	177.2	-73.7	-173.7	-66	-174.9	0	111.7	E12 W23 E24 L25 K29 I31 F32 W336	E12-K27 VanDerWaalsContact OE1-CD 3.28Å; E12-K27 WeakPolarHBondContact OE1-CD 3.24Å; E12-K27 WeakPolarHBondContact OE1-CE 3.41Å; E12-K27 IonicContact OE1-NZ 3.74Å; E12-K27 PolarHBondContact OE1-NZ 3.37Å; E12-K27 IonicContact OE2-NZ 2.68Å; E12-K27 PolarHBondContact OE2-NZ 3.03Å; W23-K27 PolarHBondContact O-N 3.24Å; E24-K27 VanDerWaalsContact CD-CE 3.42Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 2.76Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 WeakPolarHBondContact OE1-CE 3.3Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 2.83Å; E24-K27 WeakPolarHBondContact OE2-CE 3.5Å; E24-K27 IonicContact OE2-NZ 2.9Å; E24-K27 PolarHBondContact OE2-NZ 3.3Å; L25-K27 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.84Å; K27-I31 PolarHBondContact O-N 2.82Å; K27-F32 HydrophobicContact CB-CD2 3.89Å; K27-F32 HydrophobicContact CB-CE2 3.72Å; K27-F32 HydrophobicContact CB-CG 4.42Å; K27-F32 HydrophobicContact CB-CZ 4.1Å; K27-F32 HydrophobicContact CD-CE1 4.46Å; K27-F32 HydrophobicContact CD-CE2 3.89Å; K27-F32 HydrophobicContact CD-CZ 3.68Å; K27-F32 HydrophobicContact CG-CE2 4.25Å; K27-F32 HydrophobicContact CG-CZ 4.15Å; K27-F32 WeakPolarHBondContact O-CB 3.37Å; K27-F32 PolarHBondContact O-N 2.97Å; K27-W336 HydrophobicContact CD-CH2 4.02Å; K27-W336 HydrophobicContact CD-CZ2 3.63Å; K27-W336 HydrophobicContact CG-CH2 4.12Å; K27-W336 HydrophobicContact CG-CZ2 3.57Å
28	E	97.6	Very high	97.7	Very high	123 Å²	123	38.5 Å²	38.5	58%	0.575	18%	0.183	S	C	*	.	I	π-helix	trans	-64.2	-40.9	-175.1	-72	179.2	174.8	0	0	113.5	E24 L25 P33	E24-E28 WeakPolarHBondContact O-CG 3.24Å; E24-E28 PolarHBondContact O-N 3.32Å; L25-E28 PolarHBondContact O-N 2.93Å; E28-P33 VanDerWaalsContact O-CD 3.27Å; E28-P33 WeakPolarHBondContact O-CD 3.18Å; E28-P33 WeakPolarHBondContact O-CG 3.32Å
29	K	97.9	Very high	97.7	Very high	74 Å²	74	40.6 Å²	40.6	32%	0.322	19%	0.193	S	C	.	.	I	π-helix	trans	-98.5	-30.5	-171.8	-66.6	176.8	176.8	-79.2	0	113.7	L25 K27 M398 D399	L25-K29 HydrophobicContact CD2-CD 4.39Å; L25-K29 VanDerWaalsContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CB 3.17Å; L25-K29 PolarHBondContact O-N 3.43Å; K27-K29 PolarHBondContact O-N 2.84Å; K29-M398 HydrophobicContact CB-CG 4.42Å; K29-M398 HydrophobicContact CD-CB 4.46Å; K29-M398 HydrophobicContact CD-CG 3.63Å; K29-D399 VanDerWaalsContact CE-OD1 3.29Å; K29-D399 WeakPolarHBondContact CE-OD1 3.49Å; K29-D399 IonicContact NZ-OD1 2.88Å; K29-D399 PolarHBondContact NZ-OD1 2.97Å
30	L	98.4	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-114.2	-29.6	-169.5	-52.2	178.8	0	0	0	113.5	I26 Y34 I333 F355 L359 M398 L401 L405	I26-L30 HydrophobicContact CG1-CD1 4.47Å; I26-L30 HydrophobicContact CG2-CD1 4.45Å; I26-L30 WeakPolarHBondContact O-CA 3.4Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 2.98Å; L30-Y34 VanDerWaalsContact O-CD2 3.3Å; L30-Y34 WeakPolarHBondContact O-CD2 3.24Å; L30-I333 HydrophobicContact CD1-CD1 3.75Å; L30-I333 HydrophobicContact CD1-CG1 3.96Å; L30-F355 VanDerWaalsContact O-CZ 3.24Å; L30-F355 WeakPolarHBondContact O-CZ 3.48Å; L30-L359 HydrophobicContact CB-CD1 4.4Å; L30-L359 HydrophobicContact CB-CD2 4.23Å; L30-L359 HydrophobicContact CD1-CD1 4.27Å; L30-M398 HydrophobicContact CD1-SD 3.5Å; L30-M398 WeakPolarHBondContact CD1-SD 3.34Å; L30-M398 HydrophobicContact CG-SD 3.98Å; L30-L401 HydrophobicContact CD2-CB 4.13Å; L30-L405 HydrophobicContact CB-CD2 4.34Å; L30-L405 HydrophobicContact CD2-CD2 4.23Å
31	I	98.3	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-106.4	-65.5	-173.4	-55.7	178.1	0	0	0	112	I26 K27 P33 Y34 V35 L37 W336 L340	I26-I31 HydrophobicContact CG2-CD1 3.8Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.46Å; I26-I31 VanDerWaalsContact O-N 3.16Å; K27-I31 PolarHBondContact O-N 2.82Å; I31-P33 VanDerWaalsContact C-N 3.31Å; I31-Y34 PolarHBondContact O-N 3.1Å; I31-V35 HydrophobicContact CG2-CB 4.2Å; I31-V35 PolarHBondContact O-N 3.11Å; I31-L37 HydrophobicContact CG2-CD1 4.02Å; I31-W336 HydrophobicContact CD1-CB 3.67Å; I31-W336 HydrophobicContact CD1-CD2 3.22Å; I31-W336 HydrophobicContact CD1-CE3 3.46Å; I31-W336 VanDerWaalsContact CD1-CE3 3.46Å; I31-W336 HydrophobicContact CD1-CG 3.33Å; I31-W336 HydrophobicContact CD1-CZ3 4.19Å; I31-L340 HydrophobicContact CG2-CD1 4.38Å
32	F	97.5	Very high	97.9	Very high	71 Å²	71	43.2 Å²	43.2	31%	0.311	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	-173.7	-66.8	-21.7	0	0	0	115.8	K4 K27 Y34 L37 L39	K4-F32 WeakPolarHBondContact CD-O 3.35Å; K4-F32 WeakPolarHBondContact CE-O 3.38Å; K4-F32 PolarHBondContact NZ-O 3.16Å; K27-F32 HydrophobicContact CB-CD2 3.89Å; K27-F32 HydrophobicContact CB-CE2 3.72Å; K27-F32 HydrophobicContact CB-CG 4.42Å; K27-F32 HydrophobicContact CB-CZ 4.1Å; K27-F32 HydrophobicContact CD-CE1 4.46Å; K27-F32 HydrophobicContact CD-CE2 3.89Å; K27-F32 HydrophobicContact CD-CZ 3.68Å; K27-F32 HydrophobicContact CG-CE2 4.25Å; K27-F32 HydrophobicContact CG-CZ 4.15Å; K27-F32 WeakPolarHBondContact O-CB 3.37Å; K27-F32 PolarHBondContact O-N 2.97Å; F32-Y34 PolarHBondContact O-N 2.83Å; F32-L37 HydrophobicContact CE1-CD1 4.35Å; F32-L39 HydrophobicContact CE1-CD2 4.47Å; F32-L39 HydrophobicContact CZ-CD2 4.01Å
33	P	96.9	Very high	98	Very high	58 Å²	58	45 Å²	45	38%	0.377	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.5	170.3	-26	37	0	0	0	113.3	E28 I31	E28-P33 VanDerWaalsContact O-CD 3.27Å; E28-P33 WeakPolarHBondContact O-CD 3.18Å; E28-P33 WeakPolarHBondContact O-CG 3.32Å; I31-P33 VanDerWaalsContact C-N 3.31Å
34	Y	97.5	Very high	98	Very high	45 Å²	45	45 Å²	45	18%	0.176	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-26.7	-170.6	-49.8	-76.6	0	0	0	113.9	K4 I5 L30 I31 F32 F355 L405 K406 L409	K4-Y34 CarbonylContact C-O 3.6Å; K4-Y34 WeakPolarHBondContact CA-O 3.28Å; I5-Y34 PolarHBondContact N-O 3.32Å; L30-Y34 VanDerWaalsContact O-CD2 3.3Å; L30-Y34 WeakPolarHBondContact O-CD2 3.24Å; I31-Y34 PolarHBondContact O-N 3.1Å; F32-Y34 PolarHBondContact O-N 2.83Å; Y34-F355 AromaticContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CG-CE2 4.01Å; Y34-L405 HydrophobicContact CD2-CD2 4.08Å; Y34-L405 HydrophobicContact CE2-CD2 3.63Å; Y34-L405 HydrophobicContact CE2-CG 4.24Å; Y34-K406 WeakPolarHBondContact OH-CB 3.38Å; Y34-L409 HydrophobicContact CD1-CD1 3.46Å; Y34-L409 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L409 HydrophobicContact CD2-CD1 4.13Å; Y34-L409 HydrophobicContact CE1-CD1 3.65Å; Y34-L409 HydrophobicContact CE2-CD1 4.3Å; Y34-L409 HydrophobicContact CG-CD1 3.71Å
35	V	98	Very high	98	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.8	-174	-169.7	0	0	0	0	110.7	I5 I31 L37 L352 F355	I5-V35 HydrophobicContact CB-CG2 4.38Å; I5-V35 HydrophobicContact CD1-CG2 4.29Å; I5-V35 CarbonylContact O-C 3.55Å; I5-V35 WeakPolarHBondContact O-CA 3.41Å; I31-V35 HydrophobicContact CG2-CB 4.2Å; I31-V35 PolarHBondContact O-N 3.11Å; V35-L37 HydrophobicContact CG1-CD2 3.74Å; V35-L37 HydrophobicContact CG1-CG 3.95Å; V35-L352 HydrophobicContact CG1-CD1 3.8Å; V35-L352 HydrophobicContact CG2-CD1 4.16Å; V35-F355 HydrophobicContact CG2-CD1 3.59Å; V35-F355 HydrophobicContact CG2-CD2 4.22Å; V35-F355 HydrophobicContact CG2-CE1 3.52Å; V35-F355 HydrophobicContact CG2-CE2 4.16Å; V35-F355 HydrophobicContact CG2-CG 3.96Å; V35-F355 HydrophobicContact CG2-CZ 3.83Å
36	E	98	Very high	98	Very high	130 Å²	130	41.9 Å²	41.9	61%	0.607	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.6	169.8	-177.8	171.4	-158.3	0	0	109.2	K4 I5 G7	K4-E36 HydrophobicContact CB-CB 4.23Å; K4-E36 HydrophobicContact CD-CB 4.47Å; I5-E36 PolarHBondContact O-N 3.36Å; G7-E36 PolarHBondContact N-O 3.03Å
37	L	97.8	Very high	98	Very high	26 Å²	26	48.8 Å²	48.8	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.6	-174.5	-64.9	171.6	0	0	0	111.2	V10 I31 F32 V35 L39 W336 L340	V10-L37 HydrophobicContact CG2-CD2 4.18Å; I31-L37 HydrophobicContact CG2-CD1 4.02Å; F32-L37 HydrophobicContact CE1-CD1 4.35Å; V35-L37 HydrophobicContact CG1-CD2 3.74Å; V35-L37 HydrophobicContact CG1-CG 3.95Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 HydrophobicContact CB-CB 4.45Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD1-CD1 4.23Å; L37-L39 PolarHBondContact O-N 3.34Å; L37-W336 HydrophobicContact CD1-CZ3 3.83Å; L37-L340 HydrophobicContact CD1-CD2 4.16Å; L37-L340 HydrophobicContact CD2-CD2 3.68Å
38	D	98.1	Very high	98	Very high	80 Å²	80	51 Å²	51	43%	0.428	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	86.2	160.7	170.2	43	0	0	0	107.9	G8 S9 V10 H40	G8-D38 PolarHBondContact O-N 3.49Å; S9-D38 CarbonylContact C-O 3.58Å; S9-D38 VanDerWaalsContact CA-O 3.24Å; S9-D38 WeakPolarHBondContact CA-O 3.36Å; S9-D38 WeakPolarHBondContact CB-OD2 3.44Å; S9-D38 PolarHBondContact OG-OD2 3.33Å; V10-D38 PolarHBondContact N-O 3.13Å; D38-H40 VanDerWaalsContact CG-NE2 3.35Å; D38-H40 PolarHBondContact O-CD2 3.45Å; D38-H40 IonicContact OD1-CE1 2.84Å; D38-H40 IonicContact OD1-NE2 3.47Å; D38-H40 PolarHBondContact OD1-NE2 2.93Å; D38-H40 IonicContact OD2-CD2 3.14Å; D38-H40 IonicContact OD2-CE1 2.74Å; D38-H40 IonicContact OD2-NE2 2.85Å; D38-H40 PolarHBondContact OD2-NE2 3.05Å
39	L	97.9	Very high	98	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.23	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.3	-169	-157	68.6	0	0	0	111.7	V10 E12 F32 L37 W336	V10-L39 HydrophobicContact CB-CD1 4.05Å; V10-L39 HydrophobicContact CG1-CD1 4.21Å; V10-L39 WeakPolarHBondContact O-CA 3.4Å; E12-L39 HydrophobicContact CB-CD1 3.9Å; E12-L39 HydrophobicContact CB-CD2 4.21Å; E12-L39 HydrophobicContact CB-CG 3.97Å; E12-L39 VanDerWaalsContact OE2-CD2 3.24Å; E12-L39 WeakPolarHBondContact OE2-CD2 3.49Å; F32-L39 HydrophobicContact CE1-CD2 4.47Å; F32-L39 HydrophobicContact CZ-CD2 4.01Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 HydrophobicContact CB-CB 4.45Å; L37-L39 HydrophobicContact CB-CD1 4.4Å; L37-L39 HydrophobicContact CD1-CD1 4.23Å; L37-L39 PolarHBondContact O-N 3.34Å; L39-W336 HydrophobicContact CD1-CH2 3.92Å; L39-W336 HydrophobicContact CD1-CZ3 4.23Å; L39-W336 HydrophobicContact CD2-CH2 4.47Å
40	H	98.5	Very high	98	Very high	48 Å²	48	42.6 Å²	42.6	22%	0.222	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	89.9	174.6	-61	-97.5	0	0	0	108.1	V10 V11 E12 D38 Y42 H67	V10-H40 PolarHBondContact O-N 3.31Å; V11-H40 CarbonylContact C-O 3.48Å; V11-H40 WeakPolarHBondContact CA-O 3.25Å; V11-H40 HydrophobicContact CG2-CB 4.16Å; E12-H40 PolarHBondContact N-O 3.12Å; D38-H40 VanDerWaalsContact CG-NE2 3.35Å; D38-H40 PolarHBondContact O-CD2 3.45Å; D38-H40 IonicContact OD1-CE1 2.84Å; D38-H40 IonicContact OD1-NE2 3.47Å; D38-H40 PolarHBondContact OD1-NE2 2.93Å; D38-H40 IonicContact OD2-CD2 3.14Å; D38-H40 IonicContact OD2-CE1 2.74Å; D38-H40 IonicContact OD2-NE2 2.85Å; D38-H40 PolarHBondContact OD2-NE2 3.05Å; H40-Y42 HydrophobicContact CB-CE2 4.16Å; H40-Y42 WeakPolarHBondContact O-CD2 3.35Å; H40-H67 AromaticContact CD2-CE1 3.96Å; H40-H67 AromaticContact CE1-CE1 3.46Å; H40-H67 PolarHBondContact CE1-CE1 2.81Å; H40-H67 VanDerWaalsContact CE1-CE1 3.46Å; H40-H67 AromaticContact CE1-NE2 3.56Å; H40-H67 AromaticContact ND1-NE2 3.69Å; H40-H67 AromaticContact NE2-CE1 3.4Å; H40-H67 PolarHBondContact NE2-CE1 3.41Å; H40-H67 AromaticContact NE2-ND1 3.83Å; H40-H67 AromaticContact NE2-NE2 3.82Å
41	S	98.3	Very high	98	Very high	65 Å²	65	45.7 Å²	45.7	46%	0.455	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.7	-172.3	-58.4	0	0	0	0	113.1	E12	E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.48Å; E12-S41 PolarHBondContact OE2-OG 3.43Å
42	Y	98.6	Very high	98	Very high	61 Å²	61	48 Å²	48	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124	176.6	-65.9	-96.8	0	0	0	109.5	V11 E12 M13 Q14 H40 L44 V56 D59 A60 A63	V11-Y42 HydrophobicContact CG1-CD2 3.7Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; E12-Y42 PolarHBondContact O-N 2.98Å; M13-Y42 CarbonylContact C-O 3.49Å; M13-Y42 WeakPolarHBondContact CA-O 3.43Å; Q14-Y42 PolarHBondContact N-O 3.34Å; H40-Y42 HydrophobicContact CB-CE2 4.16Å; H40-Y42 WeakPolarHBondContact O-CD2 3.35Å; Y42-L44 PolarHBondContact O-N 3.29Å; Y42-V56 HydrophobicContact CD1-CG2 4.16Å; Y42-D59 HydrophobicContact CD1-CB 4.33Å; Y42-D59 HydrophobicContact CE1-CB 3.87Å; Y42-A60 HydrophobicContact CD1-CB 3.98Å; Y42-A60 HydrophobicContact CD2-CB 4.07Å; Y42-A60 HydrophobicContact CG-CB 3.68Å; Y42-A63 HydrophobicContact CE2-CB 3.61Å; Y42-A63 VanDerWaalsContact OH-CB 3.27Å; Y42-A63 WeakPolarHBondContact OH-CB 3.26Å
43	D	98.4	Very high	98	Very high	40 Å²	40	49.2 Å²	49.2	21%	0.214	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	103	177.9	-167.9	-10.4	0	0	0	110.4	R20 G45 N48	R20-D43 IonicContact CZ-OD1 3.31Å; R20-D43 IonicContact CZ-OD2 2.87Å; R20-D43 IonicContact NH1-OD1 2.93Å; R20-D43 PolarHBondContact NH1-OD1 3.2Å; R20-D43 IonicContact NH1-OD2 3.72Å; R20-D43 PolarHBondContact NH1-OD2 3.47Å; R20-D43 VanDerWaalsContact NH1-OD2 3.14Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 3.42Å; R20-D43 PolarHBondContact NH2-OD2 3.48Å; D43-G45 VanDerWaalsContact C-N 3.27Å; D43-G45 WeakPolarHBondContact OD1-CA 3.49Å; D43-G45 PolarHBondContact OD1-N 2.89Å; D43-N48 HydrophobicContact CB-CB 4.36Å; D43-N48 PolarHBondContact O-ND2 2.91Å
44	L	98.2	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.			trans	-92.7	18	174.9	-51.2	-167.9	0	0	0	112.4	M13 Q14 Y42 R49 V56 A60 T75 P95 I99	M13-L44 HydrophobicContact CB-CD1 3.68Å; M13-L44 HydrophobicContact CB-CG 3.92Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.12Å; M13-L44 HydrophobicContact SD-CD1 3.88Å; Q14-L44 WeakPolarHBondContact O-CA 3.28Å; Q14-L44 VanDerWaalsContact O-CB 3.24Å; Q14-L44 WeakPolarHBondContact O-CB 3.43Å; Q14-L44 PolarHBondContact O-N 3.45Å; Y42-L44 PolarHBondContact O-N 3.29Å; L44-R49 HydrophobicContact CB-CG 4.48Å; L44-R49 WeakPolarHBondContact O-CD 3.32Å; L44-V56 HydrophobicContact CD2-CB 4.41Å; L44-V56 HydrophobicContact CD2-CG1 3.89Å; L44-V56 HydrophobicContact CD2-CG2 3.99Å; L44-A60 HydrophobicContact CD2-CB 4.32Å; L44-T75 HydrophobicContact CB-CG2 3.71Å; L44-T75 WeakPolarHBondContact O-CG2 3.46Å; L44-P95 HydrophobicContact CD1-CB 4.41Å; L44-I99 HydrophobicContact CD1-CD1 3.93Å
45	G	97.6	Very high	98.1	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	26%	0.26	C	S	.	.			trans	-57.7	144.5	168.5	0	0	0	0	0	111.5	D16 D43 E47 N48 R49	D16-G45 WeakPolarHBondContact OD1-CA 3.2Å; D43-G45 VanDerWaalsContact C-N 3.27Å; D43-G45 WeakPolarHBondContact OD1-CA 3.49Å; D43-G45 PolarHBondContact OD1-N 2.89Å; G45-E47 VanDerWaalsContact C-N 3.25Å; G45-E47 PolarHBondContact O-N 3.4Å; G45-N48 PolarHBondContact O-N 3.44Å; G45-N48 VanDerWaalsContact O-N 3.08Å; G45-R49 WeakPolarHBondContact O-CG 3.5Å; G45-R49 PolarHBondContact O-N 3.12Å
46	I	97.9	Very high	98.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-35.1	-169.7	-169.1	61.6	0	0	0	113.2	D16 D50 I76 P78 F86 L88	D16-I46 PolarHBondContact OD1-N 3.35Å; I46-D50 WeakPolarHBondContact O-CB 3.4Å; I46-D50 PolarHBondContact O-N 2.86Å; I46-I76 HydrophobicContact CB-CB 4.32Å; I46-I76 HydrophobicContact CG1-CG2 4.5Å; I46-I76 HydrophobicContact CG2-CD1 4.07Å; I46-P78 HydrophobicContact CD1-CG 4.08Å; I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.15Å; I46-F86 HydrophobicContact CG2-CE1 3.66Å; I46-F86 HydrophobicContact CG2-CE2 4.17Å; I46-F86 HydrophobicContact CG2-CG 3.9Å; I46-F86 HydrophobicContact CG2-CZ 3.94Å; I46-L88 HydrophobicContact CD1-CD1 4Å; I46-L88 HydrophobicContact CG1-CD1 3.82Å; I46-L88 HydrophobicContact CG1-CD2 3.86Å
47	E	97.8	Very high	98.1	Very high	146 Å²	146	43.1 Å²	43.1	68%	0.682	23%	0.234	S	C	*	.	H	α-helix	trans	-67.2	-43.2	177.2	-65.2	179.1	109.9	0	0	112	G45 D50 A51 F86	G45-E47 VanDerWaalsContact C-N 3.25Å; G45-E47 PolarHBondContact O-N 3.4Å; E47-D50 PolarHBondContact O-N 3.04Å; E47-A51 WeakPolarHBondContact O-CB 3.04Å; E47-A51 PolarHBondContact O-N 3.5Å; E47-F86 HydrophobicContact CG-CD1 4.19Å
48	N	98.4	Very high	98.2	Very high	54 Å²	54	46.4 Å²	46.4	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-36.2	178	-171.8	51.1	0	0	0	111.8	D43 G45 A51 T52	D43-N48 HydrophobicContact CB-CB 4.36Å; D43-N48 PolarHBondContact O-ND2 2.91Å; G45-N48 PolarHBondContact O-N 3.44Å; G45-N48 VanDerWaalsContact O-N 3.08Å; N48-A51 PolarHBondContact O-N 2.91Å; N48-T52 WeakPolarHBondContact O-CB 3.13Å; N48-T52 WeakPolarHBondContact O-CG2 3.47Å; N48-T52 PolarHBondContact O-N 2.88Å; N48-T52 PolarHBondContact O-OG1 2.8Å
49	R	98.2	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-46.1	171.5	-70.7	177.9	58.5	-142.4	-3.3	111.2	L44 G45 T52 N53 D54 V56 I76 K93 P95	L44-R49 HydrophobicContact CB-CG 4.48Å; L44-R49 WeakPolarHBondContact O-CD 3.32Å; G45-R49 WeakPolarHBondContact O-CG 3.5Å; G45-R49 PolarHBondContact O-N 3.12Å; R49-T52 PolarHBondContact O-N 3.06Å; R49-T52 PolarHBondContact O-OG1 2.75Å; R49-N53 PolarHBondContact O-N 2.86Å; R49-N53 VanDerWaalsContact O-N 3.14Å; R49-D54 IonicContact CZ-OD1 2.73Å; R49-D54 IonicContact NE-OD1 3.1Å; R49-D54 PolarHBondContact NE-OD1 3.37Å; R49-D54 IonicContact NH2-OD1 3.46Å; R49-D54 PolarHBondContact NH2-OD1 2.9Å; R49-D54 VanDerWaalsContact NH2-OD1 3.09Å; R49-D54 IonicContact NH2-OD2 3.09Å; R49-D54 PolarHBondContact NH2-OD2 3.24Å; R49-D54 PolarHBondContact O-N 3.26Å; R49-V56 HydrophobicContact CG-CG1 3.9Å; R49-I76 PolarHBondContact NH1-O 3.21Å; R49-K93 PolarHBondContact NH2-O 3.05Å; R49-P95 VanDerWaalsContact NH1-CG 3.26Å
50	D	98.4	Very high	98.2	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.112	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-46.9	175.1	-172.3	84.5	0	0	0	111.6	I46 E47 T52 N53 L88 K89 W92	I46-D50 WeakPolarHBondContact O-CB 3.4Å; I46-D50 PolarHBondContact O-N 2.86Å; E47-D50 PolarHBondContact O-N 3.04Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.63Å; D50-N53 PolarHBondContact O-N 3.33Å; D50-N53 VanDerWaalsContact O-N 3.13Å; D50-L88 HydrophobicContact CB-CD2 3.95Å; D50-K89 PolarHBondContact O-NZ 3.17Å; D50-K89 WeakPolarHBondContact OD1-CB 2.99Å; D50-K89 PolarHBondContact OD1-N 3.3Å; D50-K89 WeakPolarHBondContact OD2-CD 3.27Å; D50-K89 VanDerWaalsContact OD2-CE 3.31Å; D50-K89 WeakPolarHBondContact OD2-CE 3.36Å; D50-K89 WeakPolarHBondContact OD2-CG 2.96Å; D50-K89 IonicContact OD2-NZ 3.91Å; D50-W92 PolarHBondContact OD1-NE1 3.33Å
51	A	98.4	Very high	98.2	Very high	65 Å²	65	41.5 Å²	41.5	54%	0.537	22%	0.223	S	C	.	.	H	α-helix	trans	-56.5	-42	179	0	0	0	0	0	112.6	E47 N48	E47-A51 WeakPolarHBondContact O-CB 3.04Å; E47-A51 PolarHBondContact O-N 3.5Å; N48-A51 PolarHBondContact O-N 2.91Å
52	T	98.2	Very high	98.2	Very high	49 Å²	49	43 Å²	43	30%	0.301	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.4	-178.5	61.5	0	0	0	0	114.3	N48 R49 D50 D54 Q55 V56	N48-T52 WeakPolarHBondContact O-CB 3.13Å; N48-T52 WeakPolarHBondContact O-CG2 3.47Å; N48-T52 PolarHBondContact O-N 2.88Å; N48-T52 PolarHBondContact O-OG1 2.8Å; R49-T52 PolarHBondContact O-N 3.06Å; R49-T52 PolarHBondContact O-OG1 2.75Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 2.63Å; T52-D54 PolarHBondContact O-N 2.86Å; T52-Q55 WeakPolarHBondContact O-CB 3.47Å; T52-Q55 PolarHBondContact O-N 3.49Å; T52-Q55 VanDerWaalsContact O-N 3.08Å; T52-V56 HydrophobicContact CG2-CB 4.39Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.34Å
53	N	97.8	Very high	98.2	Very high	95 Å²	95	40.5 Å²	40.5	51%	0.508	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	39.3	-172	-53.8	-47.7	0	0	0	113.2	R49 D50 Q55 K89 W92	R49-N53 PolarHBondContact O-N 2.86Å; R49-N53 VanDerWaalsContact O-N 3.14Å; D50-N53 PolarHBondContact O-N 3.33Å; D50-N53 VanDerWaalsContact O-N 3.13Å; N53-Q55 PolarHBondContact O-N 3.3Å; N53-K89 PolarHBondContact OD1-NZ 3.42Å; N53-W92 HydrophobicContact CB-CH2 3.79Å
54	D	97.4	Very high	98.2	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	15.3	-176.9	-154.5	35.5	0	0	0	114.5	R49 T52 V56 T57 W92	R49-D54 IonicContact CZ-OD1 2.73Å; R49-D54 IonicContact NE-OD1 3.1Å; R49-D54 PolarHBondContact NE-OD1 3.37Å; R49-D54 IonicContact NH2-OD1 3.46Å; R49-D54 PolarHBondContact NH2-OD1 2.9Å; R49-D54 VanDerWaalsContact NH2-OD1 3.09Å; R49-D54 IonicContact NH2-OD2 3.09Å; R49-D54 PolarHBondContact NH2-OD2 3.24Å; R49-D54 PolarHBondContact O-N 3.26Å; T52-D54 PolarHBondContact O-N 2.86Å; D54-V56 VanDerWaalsContact C-N 3.3Å; D54-V56 PolarHBondContact O-N 3.19Å; D54-T57 PolarHBondContact O-N 2.85Å; D54-T57 WeakPolarHBondContact OD1-CB 3.3Å; D54-T57 PolarHBondContact OD1-OG1 3.38Å; D54-W92 HydrophobicContact CB-CD2 4.37Å; D54-W92 HydrophobicContact CB-CE3 3.67Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å
55	Q	98.3	Very high	98.1	Very high	82 Å²	82	42.5 Å²	42.5	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-36	176.4	-172.8	57.5	41.6	0	0	111.4	T52 N53 T57 K58 D59	T52-Q55 WeakPolarHBondContact O-CB 3.47Å; T52-Q55 PolarHBondContact O-N 3.49Å; T52-Q55 VanDerWaalsContact O-N 3.08Å; N53-Q55 PolarHBondContact O-N 3.3Å; Q55-T57 PolarHBondContact O-N 3Å; Q55-K58 WeakPolarHBondContact O-CB 3.36Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-D59 PolarHBondContact NE2-OD1 2.92Å; Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 3.39Å
56	V	98.5	Very high	98.1	Very high	12 Å²	12	49.8 Å²	49.8	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-35.5	176.7	67.4	0	0	0	0	112.8	Y42 L44 R49 T52 D54 D59 A60	Y42-V56 HydrophobicContact CD1-CG2 4.16Å; L44-V56 HydrophobicContact CD2-CB 4.41Å; L44-V56 HydrophobicContact CD2-CG1 3.89Å; L44-V56 HydrophobicContact CD2-CG2 3.99Å; R49-V56 HydrophobicContact CG-CG1 3.9Å; T52-V56 HydrophobicContact CG2-CB 4.39Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.34Å; D54-V56 VanDerWaalsContact C-N 3.3Å; D54-V56 PolarHBondContact O-N 3.19Å; V56-D59 PolarHBondContact O-N 3.13Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.35Å
57	T	98.3	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-37.8	177.8	-57	0	0	0	0	111.7	D54 Q55 A61 P95 T98 I99	D54-T57 PolarHBondContact O-N 2.85Å; D54-T57 WeakPolarHBondContact OD1-CB 3.3Å; D54-T57 PolarHBondContact OD1-OG1 3.38Å; Q55-T57 PolarHBondContact O-N 3Å; T57-A61 PolarHBondContact O-N 3.37Å; T57-P95 HydrophobicContact CG2-CB 4.05Å; T57-T98 HydrophobicContact CG2-CG2 3.72Å; T57-I99 HydrophobicContact CG2-CD1 4.31Å; T57-I99 HydrophobicContact CG2-CG1 3.96Å
58	K	98.1	Very high	98.2	Very high	96 Å²	96	46.1 Å²	46.1	42%	0.417	24%	0.236	S	C	.	.	H	α-helix	trans	-71.4	-43	176.1	-58.9	179.1	-172.7	163.5	0	110.9	Q55 A60 A61 E62 T98 I102	Q55-K58 WeakPolarHBondContact O-CB 3.36Å; Q55-K58 PolarHBondContact O-N 3.31Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 2.86Å; K58-A61 PolarHBondContact O-N 3.28Å; K58-A61 VanDerWaalsContact O-N 3.16Å; K58-E62 PolarHBondContact O-N 3Å; K58-T98 HydrophobicContact CG-CG2 4.21Å; K58-I102 HydrophobicContact CB-CD1 4.05Å; K58-I102 HydrophobicContact CG-CD1 4.02Å
59	D	98.6	Very high	98.2	Very high	69 Å²	69	43.5 Å²	43.5	37%	0.369	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-40.7	178.5	-61.3	-17.8	0	0	0	110.9	Y42 Q55 V56 E62 A63	Y42-D59 HydrophobicContact CD1-CB 4.33Å; Y42-D59 HydrophobicContact CE1-CB 3.87Å; Q55-D59 PolarHBondContact NE2-OD1 2.92Å; Q55-D59 VanDerWaalsContact O-CG 3.27Å; Q55-D59 PolarHBondContact O-N 3.39Å; V56-D59 PolarHBondContact O-N 3.13Å; D59-E62 PolarHBondContact O-N 3.25Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.02Å
60	A	98.6	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-45.7	172.9	0	0	0	0	0	111.8	M13 Y42 L44 V56 K58 E62 A63 I64	M13-A60 HydrophobicContact CG-CB 3.81Å; M13-A60 HydrophobicContact SD-CB 4.01Å; Y42-A60 HydrophobicContact CD1-CB 3.98Å; Y42-A60 HydrophobicContact CD2-CB 4.07Å; Y42-A60 HydrophobicContact CG-CB 3.68Å; L44-A60 HydrophobicContact CD2-CB 4.32Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.35Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 2.86Å; A60-E62 PolarHBondContact O-N 2.92Å; A60-A63 WeakPolarHBondContact O-CB 3.32Å; A60-A63 PolarHBondContact O-N 3.03Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 2.84Å
61	A	97.9	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-40.4	178.1	0	0	0	0	0	112.8	T57 K58 I64 K65 I99 I102 L103	T57-A61 PolarHBondContact O-N 3.37Å; K58-A61 PolarHBondContact O-N 3.28Å; K58-A61 VanDerWaalsContact O-N 3.16Å; A61-I64 PolarHBondContact O-N 3.45Å; A61-K65 PolarHBondContact O-N 2.82Å; A61-K65 VanDerWaalsContact O-N 3.12Å; A61-I99 HydrophobicContact CB-CB 4.48Å; A61-I99 HydrophobicContact CB-CG1 4.26Å; A61-I99 HydrophobicContact CB-CG2 4.42Å; A61-I102 HydrophobicContact CB-CB 3.81Å; A61-I102 HydrophobicContact CB-CD1 3.79Å; A61-I102 HydrophobicContact CB-CG1 4.41Å; A61-I102 HydrophobicContact CB-CG2 3.62Å; A61-L103 WeakPolarHBondContact O-CD2 3.43Å
62	E	98.1	Very high	98.2	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-34.5	174.8	-69.5	-58.6	142.2	0	0	112.2	K58 D59 A60 I64 K65 K66 I102	K58-E62 PolarHBondContact O-N 3Å; D59-E62 PolarHBondContact O-N 3.25Å; A60-E62 PolarHBondContact O-N 2.92Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-K65 PolarHBondContact O-N 3.27Å; E62-K65 IonicContact OE1-NZ 3.58Å; E62-K65 PolarHBondContact OE1-NZ 3.23Å; E62-K65 IonicContact OE2-NZ 3.4Å; E62-K66 PolarHBondContact O-N 2.71Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.49Å
63	A	98.5	Very high	98.2	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-39.5	170.9	0	0	0	0	0	111.8	V11 Y42 D59 A60 K65 K66 H67	V11-A63 HydrophobicContact CG1-CB 4.13Å; V11-A63 HydrophobicContact CG2-CB 3.84Å; Y42-A63 HydrophobicContact CE2-CB 3.61Å; Y42-A63 VanDerWaalsContact OH-CB 3.27Å; Y42-A63 WeakPolarHBondContact OH-CB 3.26Å; D59-A63 WeakPolarHBondContact O-CB 3.36Å; D59-A63 PolarHBondContact O-N 3.02Å; A60-A63 WeakPolarHBondContact O-CB 3.32Å; A60-A63 PolarHBondContact O-N 3.03Å; A63-K65 VanDerWaalsContact C-N 3.33Å; A63-K65 PolarHBondContact O-N 2.95Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 2.93Å; A63-K66 VanDerWaalsContact O-N 3.15Å; A63-H67 PolarHBondContact O-CD2 3.1Å; A63-H67 VanDerWaalsContact O-CD2 3.31Å; A63-H67 PolarHBondContact O-N 2.8Å
64	I	98.5	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-41.6	175.3	-65.1	163.4	0	0	0	110.4	V11 M13 A60 A61 E62 K66 H67 N68 I99 L103 T302 E304	V11-I64 HydrophobicContact CB-CG1 3.85Å; V11-I64 HydrophobicContact CG1-CG1 3.83Å; V11-I64 HydrophobicContact CG2-CG1 4.26Å; M13-I64 HydrophobicContact CE-CD1 3.37Å; M13-I64 HydrophobicContact CE-CG1 4.25Å; M13-I64 HydrophobicContact SD-CD1 3.81Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 2.84Å; A61-I64 PolarHBondContact O-N 3.45Å; E62-I64 VanDerWaalsContact C-N 3.34Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 2.83Å; I64-H67 PolarHBondContact O-N 3.15Å; I64-N68 WeakPolarHBondContact O-CA 3.41Å; I64-N68 PolarHBondContact O-N 3.4Å; I64-I99 HydrophobicContact CD1-CG2 4.24Å; I64-L103 HydrophobicContact CB-CD1 4.3Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.1Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å; I64-T302 HydrophobicContact CG2-CG2 3.62Å; I64-E304 HydrophobicContact CD1-CB 4.48Å; I64-E304 HydrophobicContact CD1-CG 4.06Å
65	K	96.9	Very high	98	Very high	83 Å²	83	33 Å²	33	36%	0.361	16%	0.157	S	C	.	.	H	α-helix	trans	-59.8	-41.4	173.4	-69.5	179.7	178.1	161.6	0	112.3	A61 E62 A63 I102 L103	A61-K65 PolarHBondContact O-N 2.82Å; A61-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 PolarHBondContact O-N 3.27Å; E62-K65 IonicContact OE1-NZ 3.58Å; E62-K65 PolarHBondContact OE1-NZ 3.23Å; E62-K65 IonicContact OE2-NZ 3.4Å; A63-K65 VanDerWaalsContact C-N 3.33Å; A63-K65 PolarHBondContact O-N 2.95Å; K65-I102 WeakPolarHBondContact CE-O 3.19Å; K65-I102 VanDerWaalsContact NZ-CG2 3.3Å; K65-I102 PolarHBondContact NZ-O 2.77Å; K65-L103 HydrophobicContact CD-CD2 4.49Å; K65-L103 HydrophobicContact CG-CD2 3.54Å
66	K	97.8	Very high	97.9	Very high	157 Å²	157	29.5 Å²	29.5	68%	0.683	14%	0.14	S	C	*	.	H	α-helix	trans	-67.3	-44.7	-179.8	-178.7	-176.6	172.1	-164.3	0	112	E62 A63 I64	E62-K66 PolarHBondContact O-N 2.71Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 2.93Å; A63-K66 VanDerWaalsContact O-N 3.15Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 2.83Å
67	H	98.2	Very high	97.7	Very high	26 Å²	26	32.5 Å²	32.5	12%	0.12	16%	0.159	C	C	.	.	H	α-helix	trans	-96.2	-11.8	-173.5	-67.4	-78.6	0	0	0	113	S9 V11 H40 A63 I64 V69 R343	S9-H67 WeakPolarHBondContact CB-ND1 3.2Å; V11-H67 HydrophobicContact CG2-CB 3.94Å; H40-H67 AromaticContact CD2-CE1 3.96Å; H40-H67 AromaticContact CE1-CE1 3.46Å; H40-H67 PolarHBondContact CE1-CE1 2.81Å; H40-H67 VanDerWaalsContact CE1-CE1 3.46Å; H40-H67 AromaticContact CE1-NE2 3.56Å; H40-H67 AromaticContact ND1-NE2 3.69Å; H40-H67 AromaticContact NE2-CE1 3.4Å; H40-H67 PolarHBondContact NE2-CE1 3.41Å; H40-H67 AromaticContact NE2-ND1 3.83Å; H40-H67 AromaticContact NE2-NE2 3.82Å; A63-H67 PolarHBondContact O-CD2 3.1Å; A63-H67 VanDerWaalsContact O-CD2 3.31Å; A63-H67 PolarHBondContact O-N 2.8Å; I64-H67 PolarHBondContact O-N 3.15Å; H67-V69 PolarHBondContact O-N 2.99Å; H67-R343 PolarHBondContact O-NH2 3.38Å
68	N	98.2	Very high	97.5	Very high	43 Å²	43	32.8 Å²	32.8	23%	0.23	16%	0.161	C	C	.	.	S	Bend	trans	69.4	-5.5	179.1	-51	-92.3	0	0	0	116.4	I64 K301 T302 V303 L346	I64-N68 WeakPolarHBondContact O-CA 3.41Å; I64-N68 PolarHBondContact O-N 3.4Å; N68-K301 WeakPolarHBondContact CB-O 3.43Å; N68-T302 CarbonylContact O-C 3.54Å; N68-T302 VanDerWaalsContact O-CA 3.3Å; N68-T302 WeakPolarHBondContact O-CA 3.42Å; N68-T302 PolarHBondContact OD1-OG1 3.48Å; N68-V303 PolarHBondContact O-N 2.91Å; N68-L346 HydrophobicContact CB-CD1 3.78Å
69	V	98.6	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	116	-178.1	-179.5	0	0	0	0	109.9	V10 V11 H67 G339 R343 L346	V10-V69 HydrophobicContact CG1-CG1 4.23Å; V10-V69 HydrophobicContact CG2-CG1 4.13Å; V11-V69 PolarHBondContact N-O 3.12Å; H67-V69 PolarHBondContact O-N 2.99Å; V69-G339 WeakPolarHBondContact CG1-O 3.19Å; V69-R343 HydrophobicContact CG1-CB 4.47Å; V69-R343 HydrophobicContact CG2-CB 4.02Å; V69-L346 HydrophobicContact CG2-CD1 3.96Å
70	G	98.6	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.5	170.3	0	0	0	0	0	112.3	V11 V303 E304 A305	V11-G70 CarbonylContact O-C 3.58Å; V11-G70 WeakPolarHBondContact O-CA 3.5Å; G70-V303 PolarHBondContact N-O 3.3Å; G70-E304 WeakPolarHBondContact O-CA 3.35Å; G70-A305 PolarHBondContact O-N 2.63Å
71	V	98.5	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.3	167.8	-65.2	0	0	0	0	109.2	V10 V11 E12 M13 W23 A305 W336	V10-V71 HydrophobicContact CG1-CG1 4.15Å; V10-V71 HydrophobicContact CG1-CG2 3.65Å; V11-V71 PolarHBondContact O-N 2.87Å; E12-V71 HydrophobicContact CB-CG2 4.34Å; M13-V71 PolarHBondContact N-O 3.39Å; W23-V71 HydrophobicContact CH2-CB 4.22Å; W23-V71 HydrophobicContact CZ2-CB 4.07Å; W23-V71 HydrophobicContact CZ2-CG2 4.03Å; V71-A305 CarbonylContact C-O 3.51Å; V71-A305 WeakPolarHBondContact CA-O 3.34Å; V71-W336 HydrophobicContact CB-CD2 4.46Å; V71-W336 HydrophobicContact CB-CE3 4.42Å; V71-W336 HydrophobicContact CG1-CE3 4.29Å; V71-W336 HydrophobicContact CG2-CD2 4.1Å; V71-W336 HydrophobicContact CG2-CE3 3.85Å; V71-W336 HydrophobicContact CG2-CH2 3.73Å; V71-W336 HydrophobicContact CG2-CZ2 3.96Å; V71-W336 HydrophobicContact CG2-CZ3 3.68Å
72	K	98.1	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.2	-169	-174.1	175.2	178.9	-64.8	0	113.2	M13 W23 T75 N96 I99 E304 A305 E306 A307	M13-K72 HydrophobicContact CB-CB 4.25Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.64Å; M13-K72 HydrophobicContact CE-CD 4.43Å; M13-K72 HydrophobicContact CE-CG 4.19Å; M13-K72 HydrophobicContact SD-CB 4.35Å; M13-K72 HydrophobicContact SD-CD 4.19Å; M13-K72 HydrophobicContact SD-CG 4.25Å; W23-K72 VanDerWaalsContact CH2-C 3.46Å; K72-T75 PolarHBondContact NZ-OG1 2.89Å; K72-N96 WeakPolarHBondContact CE-OD1 3.46Å; K72-N96 PolarHBondContact NZ-OD1 2.64Å; K72-I99 HydrophobicContact CD-CD1 3.72Å; K72-E304 WeakPolarHBondContact CB-OE1 3.28Å; K72-A305 PolarHBondContact N-O 2.71Å; K72-E306 HydrophobicContact CB-CB 3.93Å; K72-E306 HydrophobicContact CG-CB 4.49Å; K72-E306 WeakPolarHBondContact O-CA 3.21Å; K72-A307 PolarHBondContact O-N 3.16Å
73	C	97.5	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.			trans	-74.2	152	165.9	-176.1	0	0	0	0	111.2	M13 T19 W23	M13-C73 WeakPolarHBondContact O-CB 3.47Å; M13-C73 PolarHBondContact O-N 3.49Å; T19-C73 VanDerWaalsContact C-SG 3.59Å; W23-C73 HydrophobicContact CB-CB 4.36Å; W23-C73 HydrophobicContact CD2-CB 3.61Å; W23-C73 HydrophobicContact CE3-CB 3.86Å; W23-C73 HydrophobicContact CG-CB 3.84Å; W23-C73 HydrophobicContact CZ2-CB 4.45Å; W23-C73 HydrophobicContact CZ3-CB 4.4Å
74	A	95.8	Very high	96.8	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.041	23%	0.233	C	C	.	.			trans	-62.1	141.6	173.1	0	0	0	0	0	111.3	G15 D16 T19 H309 T311	G15-A74 VanDerWaalsContact CA-O 3.31Å; G15-A74 WeakPolarHBondContact CA-O 2.97Å; D16-A74 PolarHBondContact N-O 3.09Å; T19-A74 HydrophobicContact CG2-CB 3.96Å; T19-A74 PolarHBondContact OG1-O 2.77Å; A74-H309 WeakPolarHBondContact CB-O 3.24Å; A74-T311 HydrophobicContact CB-CG2 4.07Å
75	T	96.4	Very high	96.7	Very high	16 Å²	16	53 Å²	53	10%	0.098	25%	0.254	C	S	.	.			trans	-130.6	148.8	-173.4	48.6	0	0	0	0	110.7	D16 L44 K72 T77 P95	D16-T75 VanDerWaalsContact OD2-CA 3.29Å; D16-T75 WeakPolarHBondContact OD2-CA 3.39Å; L44-T75 HydrophobicContact CB-CG2 3.71Å; L44-T75 WeakPolarHBondContact O-CG2 3.46Å; K72-T75 PolarHBondContact NZ-OG1 2.89Å; T75-T77 PolarHBondContact O-N 3.34Å; T75-P95 HydrophobicContact CG2-CG 4.38Å; T75-P95 WeakPolarHBondContact OG1-CG 3.36Å
76	I	95.6	Very high	96.7	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.041	25%	0.248	C	C	.	.			trans	-68.4	128.3	175.2	-67.5	169.1	0	0	0	109.3	D16 E17 I46 R49 P78 R82 F86 T311	D16-I76 HydrophobicContact CB-CD1 3.86Å; D16-I76 HydrophobicContact CB-CG1 3.71Å; D16-I76 PolarHBondContact OD2-N 2.9Å; E17-I76 HydrophobicContact CG-CD1 3.97Å; E17-I76 HydrophobicContact CG-CG1 4.5Å; I46-I76 HydrophobicContact CB-CB 4.32Å; I46-I76 HydrophobicContact CG1-CG2 4.5Å; I46-I76 HydrophobicContact CG2-CD1 4.07Å; R49-I76 PolarHBondContact NH1-O 3.21Å; I76-P78 HydrophobicContact CG2-CB 4.38Å; I76-R82 HydrophobicContact CG2-CG 4.37Å; I76-F86 HydrophobicContact CD1-CE2 3.77Å; I76-F86 HydrophobicContact CD1-CZ 3.71Å; I76-T311 HydrophobicContact CG1-CG2 4.09Å
77	T	93.9	Very high	96.7	Very high	75 Å²	75	53.2 Å²	53.2	46%	0.46	26%	0.255	S	S	.	.			trans	-99.2	110	155.8	-56.1	0	0	0	0	106.2	T75 S94	T75-T77 PolarHBondContact O-N 3.34Å; T77-S94 WeakPolarHBondContact OG1-CB 3.46Å; T77-S94 PolarHBondContact OG1-OG 2.97Å
78	P	95	Very high	96.7	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.039	25%	0.253	C	S	.	.			trans	-71.5	136.9	-170.2	29.3	-36.3	0	0	0	111.8	I46 I76 R82 V83 L88 M91 W92	I46-P78 HydrophobicContact CD1-CG 4.08Å; I76-P78 HydrophobicContact CG2-CB 4.38Å; P78-R82 HydrophobicContact CB-CB 3.73Å; P78-V83 HydrophobicContact CB-CG2 4.27Å; P78-L88 HydrophobicContact CB-CD1 3.6Å; P78-L88 HydrophobicContact CG-CD1 3.84Å; P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.24Å; P78-M91 WeakPolarHBondContact O-CG 3.46Å; P78-W92 WeakPolarHBondContact CD-O 3.34Å; P78-W92 HydrophobicContact CG-CB 4.22Å
79	D	93.8	Very high	96.7	Very high	74 Å²	74	56.5 Å²	56.5	40%	0.396	27%	0.268	S	S	.	.			trans	-93	-177.4	160.2	65.8	13.9	0	0	0	109.9	K81 R82 V83	D79-K81 PolarHBondContact O-N 3.48Å; D79-K81 WeakPolarHBondContact OD1-CA 3.44Å; D79-K81 WeakPolarHBondContact OD1-CB 3.28Å; D79-K81 PolarHBondContact OD1-N 2.64Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.9Å; D79-V83 WeakPolarHBondContact O-CG2 3.39Å; D79-V83 PolarHBondContact O-N 3.46Å
80	E	95.4	Very high	96.5	Very high	141 Å²	141	61.7 Å²	61.7	66%	0.659	29%	0.292	S	S	*	.	H	α-helix	trans	-56	-37.9	179.4	-65.1	81.2	179.2	0	0	112.3	V83 E84 M91	E80-V83 PolarHBondContact O-N 3.23Å; E80-E84 PolarHBondContact O-N 3.45Å; E80-E84 VanDerWaalsContact O-N 3.17Å; E80-M91 HydrophobicContact CB-CE 4.37Å; E80-M91 HydrophobicContact CG-CE 3.69Å
81	K	96.1	Very high	96.4	Very high	162 Å²	162	66 Å²	66	70%	0.704	31%	0.313	S	S	*	.	H	α-helix	trans	-69.5	-38.5	179.6	-65.5	178.3	-179.6	172.7	0	111.3	D79 E84 E85	D79-K81 PolarHBondContact O-N 3.48Å; D79-K81 WeakPolarHBondContact OD1-CA 3.44Å; D79-K81 WeakPolarHBondContact OD1-CB 3.28Å; D79-K81 PolarHBondContact OD1-N 2.64Å; K81-E84 PolarHBondContact O-N 2.94Å; K81-E85 WeakPolarHBondContact O-CB 3.18Å; K81-E85 PolarHBondContact O-N 3.42Å
82	R	95.8	Very high	96.2	Very high	31 Å²	31	67.2 Å²	67.2	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-70.1	-35.1	175.7	-63.1	-43.1	-169	132.4	23.2	112	E17 I76 P78 D79 E84 E85 F86 T313	E17-R82 IonicContact OE1-CZ 3.42Å; E17-R82 IonicContact OE1-NH1 2.98Å; E17-R82 PolarHBondContact OE1-NH1 3.19Å; E17-R82 VanDerWaalsContact OE1-NH1 3.1Å; E17-R82 IonicContact OE1-NH2 2.88Å; E17-R82 PolarHBondContact OE1-NH2 2.9Å; E17-R82 IonicContact OE2-NH2 3.81Å; I76-R82 HydrophobicContact CG2-CG 4.37Å; P78-R82 HydrophobicContact CB-CB 3.73Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.11Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.9Å; R82-E84 VanDerWaalsContact C-N 3.29Å; R82-E84 PolarHBondContact O-N 3.46Å; R82-E85 WeakPolarHBondContact CD-OE2 3.46Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 PolarHBondContact NE-OE2 2.96Å; R82-E85 IonicContact NH1-OE1 3.28Å; R82-E85 PolarHBondContact NH1-OE1 3.42Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; R82-E85 PolarHBondContact O-N 3.03Å; R82-F86 HydrophobicContact CB-CD2 4.34Å; R82-F86 WeakPolarHBondContact O-CD2 3.47Å; R82-F86 PolarHBondContact O-N 2.75Å; R82-T313 PolarHBondContact NH2-OG1 3.19Å
83	V	97.1	Very high	95.8	Very high	34 Å²	34	75.1 Å²	75.1	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-45.2	172.2	171.7	0	0	0	0	110.5	P78 D79 E80 K87 L88 M91	P78-V83 HydrophobicContact CB-CG2 4.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.39Å; D79-V83 PolarHBondContact O-N 3.46Å; E80-V83 PolarHBondContact O-N 3.23Å; V83-K87 CarbonylContact O-C 3.59Å; V83-K87 VanDerWaalsContact O-CA 3.29Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.9Å; V83-L88 HydrophobicContact CG1-CB 4.29Å; V83-L88 HydrophobicContact CG2-CD1 4.21Å; V83-L88 PolarHBondContact O-N 3.44Å; V83-M91 HydrophobicContact CG2-CB 3.83Å; V83-M91 HydrophobicContact CG2-CE 4.46Å; V83-M91 HydrophobicContact CG2-CG 4.09Å
84	E	97.4	Very high	95.6	Very high	158 Å²	158	77 Å²	77	74%	0.738	37%	0.365	S	S	*	.	H	α-helix	trans	-67.6	-48.4	175.9	-171.7	-179.4	-177.6	0	0	112.5	E80 K81 R82 F86 K87	E80-E84 PolarHBondContact O-N 3.45Å; E80-E84 VanDerWaalsContact O-N 3.17Å; K81-E84 PolarHBondContact O-N 2.94Å; R82-E84 VanDerWaalsContact C-N 3.29Å; R82-E84 PolarHBondContact O-N 3.46Å; E84-F86 PolarHBondContact O-N 2.86Å; E84-K87 PolarHBondContact O-N 2.98Å
85	E	96.8	Very high	95.5	Very high	95 Å²	95	76.8 Å²	76.8	44%	0.444	36%	0.363	S	S	.	.	H	α-helix	trans	-56.6	-46.2	-178.1	-177.9	176.6	-165.7	0	0	112.2	K81 R82 R317	K81-E85 WeakPolarHBondContact O-CB 3.18Å; K81-E85 PolarHBondContact O-N 3.42Å; R82-E85 WeakPolarHBondContact CD-OE2 3.46Å; R82-E85 IonicContact CZ-OE2 3.46Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 PolarHBondContact NE-OE2 2.96Å; R82-E85 IonicContact NH1-OE1 3.28Å; R82-E85 PolarHBondContact NH1-OE1 3.42Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; R82-E85 PolarHBondContact O-N 3.03Å; E85-R317 IonicContact OE1-NH2 3.32Å; E85-R317 PolarHBondContact OE1-NH2 2.89Å; E85-R317 IonicContact OE2-NH2 3.68Å
86	F	96.9	Very high	95.2	Very high	55 Å²	55	77.5 Å²	77.5	24%	0.241	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	1.4	-178.5	-67.7	-83.8	0	0	0	113.5	I46 E47 I76 R82 E84 L88	I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.15Å; I46-F86 HydrophobicContact CG2-CE1 3.66Å; I46-F86 HydrophobicContact CG2-CE2 4.17Å; I46-F86 HydrophobicContact CG2-CG 3.9Å; I46-F86 HydrophobicContact CG2-CZ 3.94Å; E47-F86 HydrophobicContact CG-CD1 4.19Å; I76-F86 HydrophobicContact CD1-CE2 3.77Å; I76-F86 HydrophobicContact CD1-CZ 3.71Å; R82-F86 HydrophobicContact CB-CD2 4.34Å; R82-F86 WeakPolarHBondContact O-CD2 3.47Å; R82-F86 PolarHBondContact O-N 2.75Å; E84-F86 PolarHBondContact O-N 2.86Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 HydrophobicContact CB-CD1 4.43Å; F86-L88 HydrophobicContact CB-CD2 3.45Å; F86-L88 VanDerWaalsContact CB-CD2 3.45Å; F86-L88 HydrophobicContact CB-CG 3.77Å; F86-L88 PolarHBondContact O-N 3.36Å
87	K	97.6	Very high	94.9	Very high	188 Å²	188	78.4 Å²	78.4	82%	0.817	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.2	-177	-55.6	176.9	-177.2	177.1	0	112.6	V83 E84	V83-K87 CarbonylContact O-C 3.59Å; V83-K87 VanDerWaalsContact O-CA 3.29Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.9Å; E84-K87 PolarHBondContact O-N 2.98Å
88	L	97.8	Very high	94.8	Very high	16 Å²	16	75.9 Å²	75.9	8%	0.084	36%	0.362	C	S	.	.			trans	-68.5	147.1	-174.9	-53.2	179.7	0	0	0	111	I46 D50 P78 V83 F86 Q90	I46-L88 HydrophobicContact CD1-CD1 4Å; I46-L88 HydrophobicContact CG1-CD1 3.82Å; I46-L88 HydrophobicContact CG1-CD2 3.86Å; D50-L88 HydrophobicContact CB-CD2 3.95Å; P78-L88 HydrophobicContact CB-CD1 3.6Å; P78-L88 HydrophobicContact CG-CD1 3.84Å; V83-L88 HydrophobicContact CG1-CB 4.29Å; V83-L88 HydrophobicContact CG2-CD1 4.21Å; V83-L88 PolarHBondContact O-N 3.44Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 HydrophobicContact CB-CD1 4.43Å; F86-L88 HydrophobicContact CB-CD2 3.45Å; F86-L88 VanDerWaalsContact CB-CD2 3.45Å; F86-L88 HydrophobicContact CB-CG 3.77Å; F86-L88 PolarHBondContact O-N 3.36Å; L88-Q90 WeakPolarHBondContact CB-O 3.45Å; L88-Q90 PolarHBondContact O-N 2.99Å
89	K	97.7	Very high	94.8	Very high	123 Å²	123	75.6 Å²	75.6	54%	0.535	36%	0.361	S	S	.	.	S	Bend	trans	-60.7	-34.3	174.9	-65	163.1	-174.1	169	0	111.9	D50 N53 W92	D50-K89 PolarHBondContact O-NZ 3.17Å; D50-K89 WeakPolarHBondContact OD1-CB 2.99Å; D50-K89 PolarHBondContact OD1-N 3.3Å; D50-K89 WeakPolarHBondContact OD2-CD 3.27Å; D50-K89 VanDerWaalsContact OD2-CE 3.31Å; D50-K89 WeakPolarHBondContact OD2-CE 3.36Å; D50-K89 WeakPolarHBondContact OD2-CG 2.96Å; D50-K89 IonicContact OD2-NZ 3.91Å; N53-K89 PolarHBondContact OD1-NZ 3.42Å; K89-W92 HydrophobicContact CB-CZ2 4.49Å; K89-W92 HydrophobicContact CD-CZ2 4.43Å
90	Q	95.4	Very high	94.7	Very high	108 Å²	108	73 Å²	73	51%	0.505	35%	0.345	S	S	.	.	S	Bend	trans	-159.9	170.1	177.7	62.7	-174.7	-33.9	0	0	111	L88 W92	L88-Q90 WeakPolarHBondContact CB-O 3.45Å; L88-Q90 PolarHBondContact O-N 2.99Å; Q90-W92 HydrophobicContact CG-CD2 3.97Å; Q90-W92 HydrophobicContact CG-CE3 4.15Å; Q90-W92 HydrophobicContact CG-CH2 4.11Å; Q90-W92 HydrophobicContact CG-CZ2 3.92Å; Q90-W92 HydrophobicContact CG-CZ3 4.24Å; Q90-W92 PolarHBondContact O-N 3.5Å
91	M	95.1	Very high	94.3	Very high	92 Å²	92	69.9 Å²	69.9	45%	0.453	33%	0.333	S	S	.	.			trans	-74.3	94.6	171	-167.2	-177.5	-67.2	0	0	110.1	P78 E80 V83	P78-M91 HydrophobicContact CG-CG 4.37Å; P78-M91 VanDerWaalsContact O-CG 3.24Å; P78-M91 WeakPolarHBondContact O-CG 3.46Å; E80-M91 HydrophobicContact CB-CE 4.37Å; E80-M91 HydrophobicContact CG-CE 3.69Å; V83-M91 HydrophobicContact CG2-CB 3.83Å; V83-M91 HydrophobicContact CG2-CE 4.46Å; V83-M91 HydrophobicContact CG2-CG 4.09Å
92	W	94.6	Very high	94.1	Very high	24 Å²	24	64.1 Å²	64.1	9%	0.091	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.2	145.3	-179.4	-64.4	106.8	0	0	0	112.7	D50 N53 D54 P78 K89 Q90	D50-W92 PolarHBondContact OD1-NE1 3.33Å; N53-W92 HydrophobicContact CB-CH2 3.79Å; D54-W92 HydrophobicContact CB-CD2 4.37Å; D54-W92 HydrophobicContact CB-CE3 3.67Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å; P78-W92 WeakPolarHBondContact CD-O 3.34Å; P78-W92 HydrophobicContact CG-CB 4.22Å; K89-W92 HydrophobicContact CB-CZ2 4.49Å; K89-W92 HydrophobicContact CD-CZ2 4.43Å; Q90-W92 HydrophobicContact CG-CD2 3.97Å; Q90-W92 HydrophobicContact CG-CE3 4.15Å; Q90-W92 HydrophobicContact CG-CH2 4.11Å; Q90-W92 HydrophobicContact CG-CZ2 3.92Å; Q90-W92 HydrophobicContact CG-CZ3 4.24Å; Q90-W92 PolarHBondContact O-N 3.5Å
93	K	91.2	Very high	94	Very high	167 Å²	167	63.5 Å²	63.5	73%	0.726	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.3	165	175.7	-64.2	-175.6	-179.3	-177.9	0	111.3	R49	R49-K93 PolarHBondContact NH2-O 3.05Å
94	S	91.6	Very high	93.6	Very high	39 Å²	39	63 Å²	63	27%	0.273	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-64.6	129	174.8	-179.1	0	0	0	0	111.8	T77 N96 G97 T98	T77-S94 WeakPolarHBondContact OG1-CB 3.46Å; T77-S94 PolarHBondContact OG1-OG 2.97Å; S94-N96 VanDerWaalsContact C-N 3.27Å; S94-N96 PolarHBondContact O-N 2.94Å; S94-N96 PolarHBondContact OG-N 2.72Å; S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.14Å; S94-T98 PolarHBondContact O-N 2.85Å; S94-T98 PolarHBondContact O-OG1 3.37Å
95	P	94.1	Very high	93.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-41	172.4	-30	38.5	0	0	0	113.2	L44 R49 T57 T75 G97 T98 I99	L44-P95 HydrophobicContact CD1-CB 4.41Å; R49-P95 VanDerWaalsContact NH1-CG 3.26Å; T57-P95 HydrophobicContact CG2-CB 4.05Å; T75-P95 HydrophobicContact CG2-CG 4.38Å; T75-P95 WeakPolarHBondContact OG1-CG 3.36Å; P95-G97 VanDerWaalsContact C-N 3.28Å; P95-G97 PolarHBondContact O-N 3.47Å; P95-T98 PolarHBondContact O-N 2.98Å; P95-T98 VanDerWaalsContact O-N 3.13Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.28Å; P95-I99 PolarHBondContact O-N 2.81Å
96	N	90.9	Very high	93.2	Very high	31 Å²	31	51.7 Å²	51.7	17%	0.166	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-45	178.2	-67.6	4.7	0	0	0	110.1	K72 S94 R100 E306	K72-N96 WeakPolarHBondContact CE-OD1 3.46Å; K72-N96 PolarHBondContact NZ-OD1 2.64Å; S94-N96 VanDerWaalsContact C-N 3.27Å; S94-N96 PolarHBondContact O-N 2.94Å; S94-N96 PolarHBondContact OG-N 2.72Å; N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 VanDerWaalsContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.63Å; N96-E306 PolarHBondContact ND2-OE2 2.76Å; N96-E306 PolarHBondContact OD1-OE2 2.75Å
97	G	88.4	Confident	93.2	Very high	28 Å²	28	49.1 Å²	49.1	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-59.2	-47.3	174.4	0	0	0	0	0	112.1	S94 P95 N101	S94-G97 PolarHBondContact O-N 3.43Å; S94-G97 VanDerWaalsContact O-N 3.14Å; P95-G97 VanDerWaalsContact C-N 3.28Å; P95-G97 PolarHBondContact O-N 3.47Å; G97-N101 VanDerWaalsContact O-CB 3.26Å; G97-N101 WeakPolarHBondContact O-CB 3.5Å; G97-N101 PolarHBondContact O-N 3.09Å; G97-N101 PolarHBondContact O-ND2 2.77Å
98	T	92	Very high	93.2	Very high	21 Å²	21	40.5 Å²	40.5	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-49.5	178.7	-60.9	0	0	0	0	112.3	T57 K58 S94 P95 N101 I102	T57-T98 HydrophobicContact CG2-CG2 3.72Å; K58-T98 HydrophobicContact CG-CG2 4.21Å; S94-T98 PolarHBondContact O-N 2.85Å; S94-T98 PolarHBondContact O-OG1 3.37Å; P95-T98 PolarHBondContact O-N 2.98Å; P95-T98 VanDerWaalsContact O-N 3.13Å; T98-N101 PolarHBondContact O-N 2.86Å; T98-I102 HydrophobicContact CG2-CD1 4Å; T98-I102 WeakPolarHBondContact O-CG1 3.45Å; T98-I102 PolarHBondContact O-N 2.9Å; T98-I102 VanDerWaalsContact O-N 3.12Å
99	I	94.7	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-50	180	-67.7	160.4	0	0	0	110.3	M13 L44 T57 A61 I64 K72 P95 N101 I102 L103 E304	M13-I99 HydrophobicContact SD-CD1 3.52Å; M13-I99 VanDerWaalsContact SD-CD1 3.52Å; M13-I99 HydrophobicContact SD-CG1 4.45Å; L44-I99 HydrophobicContact CD1-CD1 3.93Å; T57-I99 HydrophobicContact CG2-CD1 4.31Å; T57-I99 HydrophobicContact CG2-CG1 3.96Å; A61-I99 HydrophobicContact CB-CB 4.48Å; A61-I99 HydrophobicContact CB-CG1 4.26Å; A61-I99 HydrophobicContact CB-CG2 4.42Å; I64-I99 HydrophobicContact CD1-CG2 4.24Å; K72-I99 HydrophobicContact CD-CD1 3.72Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.28Å; P95-I99 PolarHBondContact O-N 2.81Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.17Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CB 2.89Å; I99-L103 WeakPolarHBondContact O-CG 3.22Å; I99-L103 PolarHBondContact O-N 2.56Å; I99-E304 HydrophobicContact CG2-CG 4.35Å
100	R	91.5	Very high	93	Very high	20 Å²	20	36.1 Å²	36.1	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-33.8	178.3	-67.2	167.6	-173.9	178.6	-1.6	112.4	N96 I102 G104 L295 E306	N96-R100 WeakPolarHBondContact O-CB 3.43Å; N96-R100 VanDerWaalsContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CD 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.63Å; R100-I102 VanDerWaalsContact C-N 3.34Å; R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.35Å; R100-G104 PolarHBondContact O-N 3.22Å; R100-L295 HydrophobicContact CG-CD1 4.3Å; R100-L295 HydrophobicContact CG-CD2 4.06Å; R100-E306 IonicContact CZ-OE1 2.75Å; R100-E306 IonicContact NE-OE1 2.99Å; R100-E306 IonicContact NH2-OE1 3.51Å; R100-E306 PolarHBondContact NH2-OE1 2.98Å
101	N	87.7	Confident	93	Very high	75 Å²	75	31.4 Å²	31.4	40%	0.401	17%	0.172	S	C	.	.	H	α-helix	trans	-67.9	-34	175.1	-77.4	-35.5	0	0	0	112.8	G97 T98 I99	G97-N101 VanDerWaalsContact O-CB 3.26Å; G97-N101 WeakPolarHBondContact O-CB 3.5Å; G97-N101 PolarHBondContact O-N 3.09Å; G97-N101 PolarHBondContact O-ND2 2.77Å; T98-N101 PolarHBondContact O-N 2.86Å; I99-N101 VanDerWaalsContact C-N 3.27Å; I99-N101 PolarHBondContact O-N 3.17Å
102	I	92.5	Very high	92.9	Very high	42 Å²	42	27.5 Å²	27.5	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-80.9	-43.2	-178.9	-70	169.8	0	0	0	110.8	K58 A61 E62 K65 T98 I99 R100	K58-I102 HydrophobicContact CB-CD1 4.05Å; K58-I102 HydrophobicContact CG-CD1 4.02Å; A61-I102 HydrophobicContact CB-CB 3.81Å; A61-I102 HydrophobicContact CB-CD1 3.79Å; A61-I102 HydrophobicContact CB-CG1 4.41Å; A61-I102 HydrophobicContact CB-CG2 3.62Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.49Å; K65-I102 WeakPolarHBondContact CE-O 3.19Å; K65-I102 VanDerWaalsContact NZ-CG2 3.3Å; K65-I102 PolarHBondContact NZ-O 2.77Å; T98-I102 HydrophobicContact CG2-CD1 4Å; T98-I102 WeakPolarHBondContact O-CG1 3.45Å; T98-I102 PolarHBondContact O-N 2.9Å; T98-I102 VanDerWaalsContact O-N 3.12Å; I99-I102 PolarHBondContact O-N 2.9Å; R100-I102 VanDerWaalsContact C-N 3.34Å
103	L	92.9	Very high	92.9	Very high	17 Å²	17	28.5 Å²	28.5	9%	0.089	16%	0.16	C	C	.	.	H	α-helix	trans	-76.2	-38.9	179.9	-66.1	-173.9	0	0	0	112.4	A61 I64 K65 I99 L295 T302 E304	A61-L103 WeakPolarHBondContact O-CD2 3.43Å; I64-L103 HydrophobicContact CB-CD1 4.3Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.1Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.98Å; K65-L103 HydrophobicContact CD-CD2 4.49Å; K65-L103 HydrophobicContact CG-CD2 3.54Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 4.08Å; I99-L103 WeakPolarHBondContact O-CB 2.89Å; I99-L103 WeakPolarHBondContact O-CG 3.22Å; I99-L103 PolarHBondContact O-N 2.56Å; L103-L295 HydrophobicContact CB-CD2 3.88Å; L103-L295 HydrophobicContact CD1-CD2 3.77Å; L103-L295 HydrophobicContact CG-CD2 4.44Å; L103-T302 HydrophobicContact CD2-CG2 4.32Å; L103-E304 HydrophobicContact CD1-CB 4Å
104	G	88.7	Confident	93	Very high	24 Å²	24	20.8 Å²	20.8	25%	0.247	13%	0.127	C	C	.	.			trans	67.3	-176.4	-165.2	0	0	0	0	0	112	R100	R100-G104 VanDerWaalsContact O-CA 3.23Å; R100-G104 WeakPolarHBondContact O-CA 3.35Å; R100-G104 PolarHBondContact O-N 3.22Å
105	G	91	Very high	93.1	Very high	15 Å²	15	27.2 Å²	27.2	16%	0.155	15%	0.15	C	C	.	.			trans	106.7	-166.7	174.1	0	0	0	0	0	115.1	V296	G105-V296 CarbonylContact C-O 3.58Å; G105-V296 WeakPolarHBondContact CA-O 3.33Å
106	T	96.1	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	-172.1	-53.2	0	0	0	0	110.1	F108 F192 S195 L295 V296	T106-F108 HydrophobicContact CG2-CD1 4.43Å; T106-F108 HydrophobicContact CG2-CD2 4.26Å; T106-F108 HydrophobicContact CG2-CE1 3.91Å; T106-F108 HydrophobicContact CG2-CE2 3.73Å; T106-F108 HydrophobicContact CG2-CZ 3.53Å; T106-F192 HydrophobicContact CG2-CD2 3.57Å; T106-F192 HydrophobicContact CG2-CE2 3.65Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; T106-S195 VanDerWaalsContact OG1-CB 3.28Å; T106-S195 WeakPolarHBondContact OG1-CB 3.36Å; T106-S195 PolarHBondContact OG1-OG 3.49Å; T106-L295 WeakPolarHBondContact O-CA 3.5Å; T106-V296 PolarHBondContact N-O 2.72Å; T106-V296 PolarHBondContact O-N 3.2Å
107	V	96.1	Very high	93.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.4	175.6	-179.4	0	0	0	0	108.4	R109 R132 A134 L295	V107-R109 HydrophobicContact CG1-CG 4.34Å; V107-R132 HydrophobicContact CB-CB 4.31Å; V107-R132 PolarHBondContact N-O 2.77Å; V107-R132 PolarHBondContact O-N 3.37Å; V107-A134 HydrophobicContact CG2-CB 3.77Å; V107-L295 HydrophobicContact CG2-CB 4.36Å; V107-L295 HydrophobicContact CG2-CD1 3.63Å
108	F	97.1	Very high	93.5	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	173.5	-66.7	-76.4	0	0	0	110.6	T106 I129 I130 S195 M199 I266 S293 V294 V296	T106-F108 HydrophobicContact CG2-CD1 4.43Å; T106-F108 HydrophobicContact CG2-CD2 4.26Å; T106-F108 HydrophobicContact CG2-CE1 3.91Å; T106-F108 HydrophobicContact CG2-CE2 3.73Å; T106-F108 HydrophobicContact CG2-CZ 3.53Å; F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.9Å; F108-I130 CarbonylContact C-O 3.6Å; F108-I130 VanDerWaalsContact CA-O 3.28Å; F108-I130 WeakPolarHBondContact CA-O 3.2Å; F108-S195 WeakPolarHBondContact CZ-O 3.24Å; F108-M199 HydrophobicContact CB-CE 4.14Å; F108-M199 HydrophobicContact CD1-CB 4.34Å; F108-M199 HydrophobicContact CD1-CE 4.06Å; F108-M199 HydrophobicContact CD1-CG 3.93Å; F108-M199 HydrophobicContact CD2-CE 3.68Å; F108-M199 HydrophobicContact CE1-CB 3.73Å; F108-M199 HydrophobicContact CE1-CE 4.4Å; F108-M199 HydrophobicContact CE1-CG 3.81Å; F108-M199 HydrophobicContact CE2-CB 4.48Å; F108-M199 HydrophobicContact CE2-CE 4.03Å; F108-M199 HydrophobicContact CG-CE 3.68Å; F108-M199 HydrophobicContact CZ-CB 3.81Å; F108-M199 HydrophobicContact CZ-CE 4.38Å; F108-M199 HydrophobicContact CZ-CG 4.29Å; F108-I266 HydrophobicContact CE1-CG2 4.44Å; F108-S293 WeakPolarHBondContact O-CA 3.21Å; F108-V294 PolarHBondContact N-O 3Å; F108-V294 PolarHBondContact O-N 3.47Å; F108-V296 HydrophobicContact CD2-CB 4.21Å; F108-V296 HydrophobicContact CD2-CG2 3.79Å; F108-V296 HydrophobicContact CE2-CB 4.1Å; F108-V296 HydrophobicContact CE2-CG2 4.1Å
109	R	96.7	Very high	93.5	Very high	18 Å²	18	33 Å²	33	7%	0.068	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.1	176.6	-81.4	177.7	170.7	-154.7	-6.1	110	V107 I129 I130 S278 D279 M291 T292 A308	V107-R109 HydrophobicContact CG1-CG 4.34Å; R109-I129 CarbonylContact O-C 3.5Å; R109-I129 WeakPolarHBondContact O-CA 3.49Å; R109-I130 HydrophobicContact CB-CB 4.46Å; R109-I130 PolarHBondContact N-O 3.48Å; R109-I130 PolarHBondContact O-N 3.1Å; R109-S278 VanDerWaalsContact CD-OG 3.28Å; R109-S278 WeakPolarHBondContact CD-OG 3.47Å; R109-S278 PolarHBondContact NH1-OG 3.18Å; R109-D279 IonicContact NH1-OD1 3.86Å; R109-D279 PolarHBondContact NH1-OD1 3.2Å; R109-M291 HydrophobicContact CB-CE 4.32Å; R109-M291 HydrophobicContact CB-CG 4.24Å; R109-M291 HydrophobicContact CB-SD 3.7Å; R109-M291 HydrophobicContact CG-CE 4.15Å; R109-M291 HydrophobicContact CG-SD 4.16Å; R109-T292 VanDerWaalsContact CA-O 3.25Å; R109-T292 WeakPolarHBondContact CA-O 3.24Å; R109-A308 PolarHBondContact NH2-O 3.47Å
110	E	95.9	Very high	93.4	Very high	30 Å²	30	39 Å²	39	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.5	-177	-179.4	174	-160.5	0	0	109.8	P127 I129 K203 M291 T292	E110-P127 HydrophobicContact CG-CB 4.2Å; E110-I129 HydrophobicContact CB-CD1 4.41Å; E110-I129 HydrophobicContact CB-CG1 3.88Å; E110-I129 HydrophobicContact CG-CD1 4.14Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; E110-K203 IonicContact OE1-NZ 2.88Å; E110-K203 PolarHBondContact OE1-NZ 3.22Å; E110-K203 IonicContact OE2-NZ 3.43Å; E110-K203 PolarHBondContact OE2-NZ 2.86Å; E110-M291 WeakPolarHBondContact O-CA 3.42Å; E110-T292 WeakPolarHBondContact CB-OG1 3.42Å; E110-T292 PolarHBondContact N-O 3.22Å; E110-T292 PolarHBondContact N-OG1 2.99Å; E110-T292 PolarHBondContact O-N 2.67Å; E110-T292 PolarHBondContact O-OG1 3.07Å; E110-T292 VanDerWaalsContact O-OG1 3.13Å
111	A	93.4	Very high	93.6	Very high	8 Å²	8	39 Å²	39	7%	0.066	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	138.3	177.3	0	0	0	0	0	112.1	Y285	A111-Y285 HydrophobicContact CB-CD1 4.38Å; A111-Y285 HydrophobicContact CB-CD2 3.26Å; A111-Y285 HydrophobicContact CB-CE2 3.81Å; A111-Y285 HydrophobicContact CB-CG 3.62Å
112	I	94.4	Very high	93.8	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	22%	0.222	C	C	.	.			trans	-91.8	108.7	173	-56.4	167.1	0	0	0	106.7	M290 T292 I330 F334 I364	I112-M290 HydrophobicContact CB-CB 4.31Å; I112-M290 HydrophobicContact CB-CE 4.1Å; I112-M290 HydrophobicContact CG2-CE 3.73Å; I112-M290 PolarHBondContact N-O 3.31Å; I112-T292 HydrophobicContact CD1-CG2 3.91Å; I112-T292 HydrophobicContact CG1-CG2 3.78Å; I112-I330 HydrophobicContact CD1-CG2 3.74Å; I112-I330 HydrophobicContact CG2-CG2 4.48Å; I112-F334 HydrophobicContact CD1-CB 4.03Å; I112-F334 HydrophobicContact CD1-CD1 3.54Å; I112-F334 HydrophobicContact CD1-CD2 3.76Å; I112-F334 HydrophobicContact CD1-CE1 3.81Å; I112-F334 HydrophobicContact CD1-CE2 4.03Å; I112-F334 HydrophobicContact CD1-CG 3.48Å; I112-F334 VanDerWaalsContact CD1-CG 3.48Å; I112-F334 HydrophobicContact CD1-CZ 4.04Å; I112-F334 HydrophobicContact CG1-CD1 3.92Å; I112-F334 HydrophobicContact CG1-CE1 3.85Å; I112-F334 HydrophobicContact CG1-CG 4.37Å; I112-F334 HydrophobicContact CG1-CZ 4.28Å; I112-F334 HydrophobicContact CG2-CE1 4.06Å; I112-F334 HydrophobicContact CG2-CE2 4.33Å; I112-F334 HydrophobicContact CG2-CZ 3.75Å; I112-I364 HydrophobicContact CG2-CD1 4.16Å; I112-I364 HydrophobicContact CG2-CG1 4.01Å
113	I	93.6	Very high	93.9	Very high	44 Å²	44	40.1 Å²	40.1	23%	0.226	23%	0.228	C	C	.	.			trans	-94.9	124.1	-172.5	-61.7	168.8	0	0	0	110.2	P127 Y285	I113-P127 HydrophobicContact CD1-CB 3.79Å; I113-P127 HydrophobicContact CD1-CG 4.28Å; I113-Y285 HydrophobicContact CD1-CD1 4.13Å; I113-Y285 HydrophobicContact CD1-CE1 3.83Å; I113-Y285 HydrophobicContact CG1-CD1 3.96Å; I113-Y285 HydrophobicContact CG1-CE1 4.19Å
114	C	94.5	Very high	94	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.034	23%	0.225	C	C	.	.			trans	-111.2	131.9	167.9	-65.8	0	0	0	0	109.4	N116 I117 M290 I367 E368	C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.2Å; C114-I117 HydrophobicContact CB-CB 4.28Å; C114-I117 HydrophobicContact CB-CG1 3.65Å; C114-I117 PolarHBondContact O-N 2.59Å; C114-M290 WeakPolarHBondContact SG-CE 3.3Å; C114-I367 HydrophobicContact CB-CG2 3.99Å; C114-E368 HydrophobicContact CB-CG 4.27Å
115	K	93.4	Very high	94.2	Very high	175 Å²	175	42.4 Å²	42.4	76%	0.761	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.9	-174.5	-69.1	165.4	-159.1	156	0	114	E368	K115-E368 WeakPolarHBondContact CB-OE1 3.37Å; K115-E368 WeakPolarHBondContact CD-OE1 3.49Å; K115-E368 WeakPolarHBondContact CG-OE1 3.31Å; K115-E368 PolarHBondContact N-OE1 3.08Å; K115-E368 IonicContact NZ-OE2 2.85Å; K115-E368 PolarHBondContact NZ-OE2 2.88Å
116	N	94	Very high	94.4	Very high	48 Å²	48	46.7 Å²	46.7	26%	0.257	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2	-177.7	68.2	-27.5	0	0	0	113.8	C114 P118 I367	C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.2Å; N116-P118 WeakPolarHBondContact O-CD 3.15Å; N116-I367 PolarHBondContact ND2-O 3.4Å
117	I	94.2	Very high	94.4	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.056	26%	0.257	C	S	.	.	S	Bend	trans	-97.6	114.6	174.9	-57.1	-57.4	0	0	0	108.9	C114 I367 M372 L376 C379 I380	C114-I117 HydrophobicContact CB-CB 4.28Å; C114-I117 HydrophobicContact CB-CG1 3.65Å; C114-I117 PolarHBondContact O-N 2.59Å; I117-I367 HydrophobicContact CD1-CG2 4.04Å; I117-I367 HydrophobicContact CG1-CG2 4.08Å; I117-M372 HydrophobicContact CD1-SD 4.13Å; I117-L376 HydrophobicContact CD1-CB 3.87Å; I117-L376 HydrophobicContact CD1-CD2 4.24Å; I117-L376 HydrophobicContact CD1-CG 4.46Å; I117-L376 HydrophobicContact CG1-CD2 4.46Å; I117-C379 HydrophobicContact CG2-CB 4.06Å; I117-I380 HydrophobicContact CD1-CD1 4.1Å; I117-I380 HydrophobicContact CD1-CG1 4.28Å
118	P	92.9	Very high	94.5	Very high	66 Å²	66	47.6 Å²	47.6	43%	0.429	26%	0.257	S	S	.	.			trans	-62.6	139	177.9	-23.9	34.7	0	0	0	112	N116 I380	N116-P118 WeakPolarHBondContact O-CD 3.15Å; P118-I380 HydrophobicContact CG-CG1 4.48Å
119	R	92.4	Very high	94.5	Very high	76 Å²	76	47.3 Å²	47.3	29%	0.287	26%	0.256	S	S	.	.			trans	-90.5	142.1	175.2	-56.2	176.7	-167.7	122.1	4.2	109.4	W124 G284 Y285	R119-W124 WeakPolarHBondContact CD-O 3.47Å; R119-W124 PolarHBondContact NE-O 2.61Å; R119-W124 VanDerWaalsContact NE-O 3.1Å; R119-W124 PolarHBondContact NH1-O 2.73Å; R119-G284 CarbonylContact C-O 3.59Å; R119-Y285 HydrophobicContact CG-CD1 4.35Å
120	L	93.1	Very high	94.6	Very high	126 Å²	126	46.6 Å²	46.6	66%	0.66	25%	0.253	S	S	*	.	S	Bend	trans	-72.9	-34.7	170.9	-61.8	-178.9	0	0	0	110.9	Q283 G284	L120-Q283 HydrophobicContact CD1-CG 3.93Å; L120-Q283 WeakPolarHBondContact CD1-O 3.39Å; L120-G284 PolarHBondContact N-O 2.97Å
121	V	94.7	Very high	94.7	Very high	20 Å²	20	45.1 Å²	45.1	12%	0.121	25%	0.247	C	C	.	.	S	Bend	trans	-98.2	93.8	171	-169.1	0	0	0	0	108.2	G123 W124 M259 G284	V121-G123 PolarHBondContact O-N 3.34Å; V121-W124 HydrophobicContact CB-CD2 3.68Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.07Å; V121-W124 HydrophobicContact CB-CH2 4.44Å; V121-W124 HydrophobicContact CB-CZ2 4.31Å; V121-W124 HydrophobicContact CB-CZ3 4.23Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CE3 4.43Å; V121-W124 HydrophobicContact CG1-CG 3.9Å; V121-W124 HydrophobicContact CG1-CZ2 4.14Å; V121-W124 HydrophobicContact CG2-CD2 4.29Å; V121-W124 HydrophobicContact CG2-CE3 4.16Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4.13Å; V121-W124 HydrophobicContact CG2-CZ3 4.01Å; V121-W124 PolarHBondContact O-N 2.96Å; V121-M259 HydrophobicContact CB-CE 4.47Å; V121-M259 HydrophobicContact CG1-CE 3.97Å; V121-M259 HydrophobicContact CG1-SD 4.23Å; V121-M259 HydrophobicContact CG2-CE 3.65Å; V121-M259 HydrophobicContact CG2-SD 3.89Å; V121-G284 PolarHBondContact N-O 3.18Å
122	S	92.6	Very high	94.9	Very high	107 Å²	107	45.2 Å²	45.2	75%	0.748	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	-170.3	56	0	0	0	0	114.4	W124	S122-W124 VanDerWaalsContact C-N 3.31Å; S122-W124 PolarHBondContact O-N 3.24Å
123	G	93.6	Very high	94.9	Very high	34 Å²	34	44.7 Å²	44.7	35%	0.351	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.8	178.6	0	0	0	0	0	114.2	V121 V125 E262	V121-G123 PolarHBondContact O-N 3.34Å; G123-V125 PolarHBondContact O-N 2.97Å; G123-E262 WeakPolarHBondContact O-CA 3.28Å
124	W	95.4	Very high	94.8	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.023	24%	0.236	C	C	.	.			trans	-74	113.4	-178.6	-68	-7	0	0	0	110.8	R119 V121 S122 I128 A258 M259 V281 Y285	R119-W124 WeakPolarHBondContact CD-O 3.47Å; R119-W124 PolarHBondContact NE-O 2.61Å; R119-W124 VanDerWaalsContact NE-O 3.1Å; R119-W124 PolarHBondContact NH1-O 2.73Å; V121-W124 HydrophobicContact CB-CD2 3.68Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.07Å; V121-W124 HydrophobicContact CB-CH2 4.44Å; V121-W124 HydrophobicContact CB-CZ2 4.31Å; V121-W124 HydrophobicContact CB-CZ3 4.23Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CE3 4.43Å; V121-W124 HydrophobicContact CG1-CG 3.9Å; V121-W124 HydrophobicContact CG1-CZ2 4.14Å; V121-W124 HydrophobicContact CG2-CD2 4.29Å; V121-W124 HydrophobicContact CG2-CE3 4.16Å; V121-W124 HydrophobicContact CG2-CH2 3.99Å; V121-W124 HydrophobicContact CG2-CZ2 4.13Å; V121-W124 HydrophobicContact CG2-CZ3 4.01Å; V121-W124 PolarHBondContact O-N 2.96Å; S122-W124 VanDerWaalsContact C-N 3.31Å; S122-W124 PolarHBondContact O-N 3.24Å; W124-I128 HydrophobicContact CD2-CD1 3.88Å; W124-I128 HydrophobicContact CE3-CD1 4.32Å; W124-I128 HydrophobicContact CG-CD1 4.37Å; W124-I128 HydrophobicContact CH2-CD1 4.23Å; W124-I128 HydrophobicContact CZ2-CD1 3.76Å; W124-I128 HydrophobicContact CZ3-CD1 4.48Å; W124-A258 PolarHBondContact NE1-O 2.72Å; W124-M259 HydrophobicContact CH2-SD 4.37Å; W124-M259 HydrophobicContact CZ2-SD 3.87Å; W124-V281 HydrophobicContact CH2-CB 4.41Å; W124-V281 HydrophobicContact CH2-CG2 3.93Å; W124-V281 HydrophobicContact CZ3-CB 4.34Å; W124-V281 HydrophobicContact CZ3-CG1 4.26Å; W124-V281 HydrophobicContact CZ3-CG2 4.33Å; W124-Y285 HydrophobicContact CB-CE1 3.7Å; W124-Y285 HydrophobicContact CD2-CE2 4.31Å; W124-Y285 AromaticContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CE1 4.25Å; W124-Y285 AromaticContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CG 4.36Å; W124-Y285 AromaticContact CE3-CZ 3.69Å; W124-Y285 HydrophobicContact CZ3-CD2 4.17Å; W124-Y285 AromaticContact CZ3-CE2 3.99Å; W124-Y285 HydrophobicContact CZ3-CE2 3.99Å
125	V	93.7	Very high	94.7	Very high	82 Å²	82	44.5 Å²	44.5	50%	0.497	24%	0.241	S	C	.	.			trans	-108.1	-44.6	-179.3	180	0	0	0	0	110.9	G123 E262	G123-V125 PolarHBondContact O-N 2.97Å; V125-E262 PolarHBondContact N-O 2.91Å
126	K	95.6	Very high	94.7	Very high	106 Å²	106	36.1 Å²	36.1	46%	0.461	21%	0.205	S	C	.	.	S	Bend	trans	-93	155.1	174.3	-63.3	171.1	-173.1	167.1	0	108.9	E262 Y285	K126-E262 PolarHBondContact N-O 3.42Å; K126-Y285 PolarHBondContact O-OH 2.92Å
127	P	95.7	Very high	94.7	Very high	20 Å²	20	34.1 Å²	34.1	13%	0.13	19%	0.194	C	C	.	.			trans	-69.1	156.3	177.1	31.4	-36.2	0	0	0	111.3	E110 I113 W205 G264 Y285	E110-P127 HydrophobicContact CG-CB 4.2Å; I113-P127 HydrophobicContact CD1-CB 3.79Å; I113-P127 HydrophobicContact CD1-CG 4.28Å; P127-W205 HydrophobicContact CG-CH2 3.37Å; P127-W205 HydrophobicContact CG-CZ2 4.33Å; P127-W205 HydrophobicContact CG-CZ3 3.84Å; P127-G264 WeakPolarHBondContact O-CA 3.24Å; P127-G264 PolarHBondContact O-N 3.43Å; P127-Y285 VanDerWaalsContact CA-OH 3.3Å; P127-Y285 WeakPolarHBondContact CA-OH 3.29Å
128	I	97.8	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.9	166.5	-64.6	165.8	0	0	0	106.7	W124 I130 F265 W267 V281 Y285	W124-I128 HydrophobicContact CD2-CD1 3.88Å; W124-I128 HydrophobicContact CE3-CD1 4.32Å; W124-I128 HydrophobicContact CG-CD1 4.37Å; W124-I128 HydrophobicContact CH2-CD1 4.23Å; W124-I128 HydrophobicContact CZ2-CD1 3.76Å; W124-I128 HydrophobicContact CZ3-CD1 4.48Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å; I128-F265 HydrophobicContact CB-CZ 4.4Å; I128-F265 HydrophobicContact CD1-CE1 3.92Å; I128-F265 HydrophobicContact CD1-CZ 3.65Å; I128-F265 HydrophobicContact CG1-CD1 4.38Å; I128-F265 HydrophobicContact CG1-CE1 3.69Å; I128-F265 HydrophobicContact CG1-CE2 4.31Å; I128-F265 HydrophobicContact CG1-CZ 3.66Å; I128-F265 HydrophobicContact CG2-CD2 4.26Å; I128-F265 HydrophobicContact CG2-CE2 3.68Å; I128-F265 HydrophobicContact CG2-CZ 3.84Å; I128-W267 HydrophobicContact CG2-CB 4.4Å; I128-W267 HydrophobicContact CG2-CE3 4.31Å; I128-V281 HydrophobicContact CB-CG1 4Å; I128-V281 HydrophobicContact CG2-CG1 4.41Å; I128-V281 HydrophobicContact CG2-CG2 4.39Å; I128-Y285 PolarHBondContact N-OH 3.29Å; I128-Y285 VanDerWaalsContact N-OH 3.14Å
129	I	98	Very high	94.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.3	176.1	-60.5	178.7	0	0	0	108.4	F108 R109 E110 M199 K203 W205 F265 I266 W267	F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.9Å; R109-I129 CarbonylContact O-C 3.5Å; R109-I129 WeakPolarHBondContact O-CA 3.49Å; E110-I129 HydrophobicContact CB-CD1 4.41Å; E110-I129 HydrophobicContact CB-CG1 3.88Å; E110-I129 HydrophobicContact CG-CD1 4.14Å; E110-I129 HydrophobicContact CG-CG1 3.73Å; I129-M199 HydrophobicContact CG2-CG 4.42Å; I129-K203 HydrophobicContact CD1-CD 3.83Å; I129-K203 VanDerWaalsContact CD1-CE 3.44Å; I129-K203 HydrophobicContact CD1-CG 3.85Å; I129-W205 HydrophobicContact CD1-CE3 4.18Å; I129-W205 HydrophobicContact CD1-CZ3 3.64Å; I129-W205 HydrophobicContact CG1-CZ3 3.95Å; I129-F265 PolarHBondContact N-O 2.99Å; I129-F265 VanDerWaalsContact N-O 3.12Å; I129-I266 HydrophobicContact CB-CD1 3.68Å; I129-I266 HydrophobicContact CD1-CD1 3.66Å; I129-I266 HydrophobicContact CG1-CD1 4.07Å; I129-I266 HydrophobicContact CG2-CD1 4.16Å; I129-I266 CarbonylContact O-C 3.54Å; I129-I266 WeakPolarHBondContact O-CA 3.45Å; I129-W267 PolarHBondContact O-N 2.85Å
130	I	98.2	Very high	94.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.1	171.7	-58.4	-53.9	0	0	0	108.8	F108 R109 I128 W267 V281	F108-I130 CarbonylContact C-O 3.6Å; F108-I130 VanDerWaalsContact CA-O 3.28Å; F108-I130 WeakPolarHBondContact CA-O 3.2Å; R109-I130 HydrophobicContact CB-CB 4.46Å; R109-I130 PolarHBondContact N-O 3.48Å; R109-I130 PolarHBondContact O-N 3.1Å; I128-I130 HydrophobicContact CG2-CD1 3.99Å; I130-W267 CarbonylContact C-O 3.59Å; I130-W267 WeakPolarHBondContact CA-O 3.4Å; I130-W267 HydrophobicContact CD1-CB 3.77Å; I130-W267 HydrophobicContact CD1-CD2 3.83Å; I130-W267 HydrophobicContact CD1-CE3 3.41Å; I130-W267 VanDerWaalsContact CD1-CE3 3.41Å; I130-W267 HydrophobicContact CD1-CG 4.03Å; I130-W267 HydrophobicContact CD1-CZ3 4.21Å; I130-V281 HydrophobicContact CD1-CG2 4.06Å; I130-V281 HydrophobicContact CG1-CB 4.49Å; I130-V281 HydrophobicContact CG1-CG2 4.29Å
131	G	97.9	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	104.8	165	0	0	0	0	0	109.5	F192 W267 A268 C269	G131-F192 WeakPolarHBondContact O-CE2 3.36Å; G131-F192 WeakPolarHBondContact O-CZ 3.38Å; G131-W267 PolarHBondContact N-O 2.99Å; G131-A268 CarbonylContact O-C 3.5Å; G131-A268 WeakPolarHBondContact O-CA 2.94Å; G131-C269 PolarHBondContact O-N 2.91Å
132	R	96.8	Very high	94.2	Very high	9 Å²	9	39.1 Å²	39.1	3%	0.034	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.2	178.4	174.7	-173.6	175.1	172.4	10	110.5	V107 A134 Y139 N271 D275	V107-R132 HydrophobicContact CB-CB 4.31Å; V107-R132 PolarHBondContact N-O 2.77Å; V107-R132 PolarHBondContact O-N 3.37Å; R132-A134 VanDerWaalsContact C-N 3.35Å; R132-A134 PolarHBondContact O-N 2.91Å; R132-Y139 VanDerWaalsContact NH2-CZ 3.32Å; R132-N271 PolarHBondContact NE-O 2.68Å; R132-N271 VanDerWaalsContact NE-O 3.17Å; R132-N271 PolarHBondContact NE-OD1 2.95Å; R132-N271 PolarHBondContact NH2-OD1 3.38Å; R132-D275 IonicContact CZ-OD1 3.61Å; R132-D275 IonicContact CZ-OD2 3.41Å; R132-D275 IonicContact NH1-OD1 3.88Å; R132-D275 PolarHBondContact NH1-OD1 2.67Å; R132-D275 IonicContact NH1-OD2 3.4Å; R132-D275 PolarHBondContact NH1-OD2 2.86Å; R132-D275 VanDerWaalsContact NH2-CG 3.32Å; R132-D275 IonicContact NH2-OD1 3.18Å; R132-D275 IonicContact NH2-OD2 2.78Å; R132-D275 PolarHBondContact NH2-OD2 3.46Å
133	H	95.6	Very high	94.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	86.3	167.2	-172	-146.4	0	0	0	110.7	Y135 N184 S188 F192 F223 C269 N271	H133-Y135 PolarHBondContact O-N 3.27Å; H133-N184 PolarHBondContact CE1-ND2 3.36Å; H133-N184 PolarHBondContact CE1-OD1 2.87Å; H133-S188 PolarHBondContact NE2-O 2.89Å; H133-S188 PolarHBondContact NE2-OG 3.13Å; H133-F192 HydrophobicContact CB-CD1 3.6Å; H133-F192 HydrophobicContact CB-CD2 4.13Å; H133-F192 HydrophobicContact CB-CE1 3.64Å; H133-F192 HydrophobicContact CB-CE2 4.16Å; H133-F192 HydrophobicContact CB-CG 3.86Å; H133-F192 HydrophobicContact CB-CZ 3.91Å; H133-F192 AromaticContact CD2-CD1 3.98Å; H133-F192 AromaticContact CD2-CG 3.75Å; H133-F192 AromaticContact CG-CD1 3.72Å; H133-F192 AromaticContact CG-CG 3.92Å; H133-F223 AromaticContact CE1-CE1 3.74Å; H133-F223 AromaticContact CE1-CZ 3.69Å; H133-F223 AromaticContact ND1-CE1 3.28Å; H133-F223 VanDerWaalsContact ND1-CE1 3.28Å; H133-F223 WeakPolarHBondContact ND1-CE1 3.39Å; H133-F223 AromaticContact ND1-CZ 3.39Å; H133-F223 WeakPolarHBondContact ND1-CZ 3.45Å; H133-C269 PolarHBondContact N-O 3.14Å; H133-N271 WeakPolarHBondContact O-CA 3.18Å; H133-N271 WeakPolarHBondContact O-CB 3.07Å
134	A	91.9	Very high	94.5	Very high	12 Å²	12	43 Å²	43	10%	0.099	21%	0.213	C	C	.	.			trans	-79.3	45.8	-173.6	0	0	0	0	0	113.3	V107 R132	V107-A134 HydrophobicContact CG2-CB 3.77Å; R132-A134 VanDerWaalsContact C-N 3.35Å; R132-A134 PolarHBondContact O-N 2.91Å
135	Y	92.4	Very high	94.7	Very high	32 Å²	32	48 Å²	48	13%	0.125	24%	0.244	C	C	.	.	S	Bend	trans	-144.5	146.1	-178.2	-178.3	-87.2	0	0	0	111.8	H133 R140 Y183 N184 Q185 S188	H133-Y135 PolarHBondContact O-N 3.27Å; Y135-R140 VanDerWaalsContact CE2-NH1 3.3Å; Y135-Y183 HydrophobicContact CE1-CE2 4.34Å; Y135-N184 VanDerWaalsContact CD1-OD1 3.27Å; Y135-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; Y135-Q185 HydrophobicContact CE1-CB 4.28Å; Y135-Q185 HydrophobicContact CE1-CG 4.08Å; Y135-Q185 PolarHBondContact OH-NE2 3.28Å; Y135-S188 WeakPolarHBondContact CB-OG 3.44Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.48Å; Y135-S188 VanDerWaalsContact CG-OG 3.29Å
136	G	92.4	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	62.9	-146.9	175.6	0	0	0	0	0	113	Y183 N271	G136-Y183 WeakPolarHBondContact CA-O 3.21Å; G136-N271 PolarHBondContact O-ND2 3.38Å
137	D	94.1	Very high	95	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	54.7	-153.3	-178.8	-59.4	-12.4	0	0	0	111.8	Y139 R140 A141 Y183 N184 Y219 N271	D137-Y139 PolarHBondContact O-N 2.79Å; D137-Y139 VanDerWaalsContact O-N 3.16Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact O-N 3.16Å; D137-A141 PolarHBondContact O-N 2.85Å; D137-Y183 PolarHBondContact N-O 2.99Å; D137-N184 PolarHBondContact OD1-ND2 3.34Å; D137-Y219 WeakPolarHBondContact OD1-CE1 3.14Å; D137-Y219 PolarHBondContact OD1-OH 3.15Å; D137-N271 HydrophobicContact CB-CB 3.91Å; D137-N271 WeakPolarHBondContact OD2-CB 3.24Å; D137-N271 PolarHBondContact OD2-N 3.1Å
138	Q	91.3	Very high	95.1	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.2	-22.6	-177.3	67.8	-174.7	70	0	0	114.4	R140 A141 M180 Y272	Q138-R140 PolarHBondContact O-N 3.17Å; Q138-A141 PolarHBondContact O-N 3.48Å; Q138-M180 HydrophobicContact CB-SD 4.26Å; Q138-Y272 VanDerWaalsContact CD-CD2 3.45Å; Q138-Y272 HydrophobicContact CG-CD2 4.49Å; Q138-Y272 VanDerWaalsContact OE1-CB 3.3Å; Q138-Y272 VanDerWaalsContact OE1-CG 3.24Å
139	Y	87.9	Confident	95.1	Very high	99 Å²	99	50 Å²	50	39%	0.388	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-74.8	-12.6	179.9	-67.4	-98.2	0	0	0	113.1	R132 D137 N271 Y272 D275	R132-Y139 VanDerWaalsContact NH2-CZ 3.32Å; D137-Y139 PolarHBondContact O-N 2.79Å; D137-Y139 VanDerWaalsContact O-N 3.16Å; Y139-N271 HydrophobicContact CD2-CB 3.98Å; Y139-N271 VanDerWaalsContact CD2-ND2 3.33Å; Y139-N271 WeakPolarHBondContact CD2-ND2 3.36Å; Y139-N271 HydrophobicContact CE2-CB 4.29Å; Y139-Y272 HydrophobicContact CE2-CD2 4.23Å; Y139-D275 WeakPolarHBondContact CE1-OD2 3.42Å; Y139-D275 VanDerWaalsContact CZ-OD2 3.25Å; Y139-D275 WeakPolarHBondContact OH-CB 3.49Å; Y139-D275 VanDerWaalsContact OH-CG 3.31Å; Y139-D275 PolarHBondContact OH-OD2 3.3Å
140	R	89.2	Confident	95.1	Very high	93 Å²	93	51.5 Å²	51.5	35%	0.351	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-130.1	20.3	173.4	-56.9	-169	75	-168.6	2.6	112	Y135 D137 Q138 Y183	Y135-R140 VanDerWaalsContact CE2-NH1 3.3Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact O-N 3.16Å; Q138-R140 PolarHBondContact O-N 3.17Å; R140-Y183 HydrophobicContact CB-CE1 4.14Å; R140-Y183 PolarHBondContact NE-OH 3.46Å; R140-Y183 PolarHBondContact NH1-OH 2.64Å; R140-Y183 WeakPolarHBondContact O-CE1 3.26Å
141	A	93.2	Very high	95.1	Very high	21 Å²	21	58.1 Å²	58.1	17%	0.174	32%	0.317	C	S	.	.			trans	-70.1	157.8	176.6	0	0	0	0	0	111.1	D137 Q138 M180 G181 M182	D137-A141 PolarHBondContact O-N 2.85Å; Q138-A141 PolarHBondContact O-N 3.48Å; A141-M180 HydrophobicContact CB-CG 3.51Å; A141-M180 HydrophobicContact CB-SD 3.63Å; A141-G181 CarbonylContact C-O 3.59Å; A141-G181 WeakPolarHBondContact CA-O 3.46Å; A141-G181 VanDerWaalsContact CB-O 3.31Å; A141-G181 WeakPolarHBondContact CB-O 3.37Å; A141-M182 HydrophobicContact CB-CB 3.95Å
142	T	95.4	Very high	95.1	Very high	106 Å²	106	58.9 Å²	58.9	65%	0.65	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.7	161.4	-60.1	0	0	0	0	107.4	M180 G181	T142-M180 CarbonylContact O-C 3.58Å; T142-M180 WeakPolarHBondContact O-CA 3.47Å; T142-G181 PolarHBondContact N-O 2.75Å; T142-G181 PolarHBondContact O-N 3.15Å
143	D	95.5	Very high	95.1	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.1	176.3	68.8	-43.5	0	0	0	111.2	A179 M180	D143-A179 VanDerWaalsContact CA-O 3.24Å; D143-A179 WeakPolarHBondContact CA-O 3.46Å; D143-M180 HydrophobicContact CB-CB 4.13Å; D143-M180 HydrophobicContact CB-CG 4.12Å
144	F	97.1	Very high	95.2	Very high	104 Å²	104	67.7 Å²	67.7	46%	0.456	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.6	178.9	64.9	-78.8	0	0	0	111.7	V146 V152 V178 A179	F144-V146 HydrophobicContact CD2-CG2 4.39Å; F144-V146 HydrophobicContact CE2-CG2 3.86Å; F144-V146 HydrophobicContact CZ-CG2 4.43Å; F144-V152 HydrophobicContact CZ-CG1 4.25Å; F144-V152 HydrophobicContact CZ-CG2 4.31Å; F144-V178 WeakPolarHBondContact O-CA 3.35Å; F144-A179 HydrophobicContact CD1-CB 4.43Å; F144-A179 HydrophobicContact CE1-CB 3.8Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 2.9Å; F144-A179 VanDerWaalsContact O-N 3.09Å
145	V	98.3	Very high	95.5	Very high	111 Å²	111	70.3 Å²	70.3	67%	0.673	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.5	171.8	179.4	0	0	0	0	109.2	G177	V145-G177 WeakPolarHBondContact CA-O 3.23Å
146	V	98	Very high	95.7	Very high	10 Å²	10	75.7 Å²	75.7	6%	0.061	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.1	170.1	-177.9	0	0	0	0	107.2	F144 G148 V152 F172 G176 G177 A179	F144-V146 HydrophobicContact CD2-CG2 4.39Å; F144-V146 HydrophobicContact CE2-CG2 3.86Å; F144-V146 HydrophobicContact CZ-CG2 4.43Å; V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.24Å; V146-G148 PolarHBondContact O-N 3.44Å; V146-V152 HydrophobicContact CG2-CG2 3.78Å; V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.38Å; V146-F172 HydrophobicContact CG1-CD1 4.44Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.11Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.49Å; V146-F172 HydrophobicContact CG2-CE2 3.89Å; V146-F172 HydrophobicContact CG2-CZ 3.9Å; V146-G176 CarbonylContact O-C 3.56Å; V146-G176 WeakPolarHBondContact O-CA 3Å; V146-G177 PolarHBondContact N-O 2.99Å; V146-G177 PolarHBondContact O-N 3.39Å; V146-A179 HydrophobicContact CG2-CB 4.09Å
147	P	97.8	Very high	95.9	Very high	132 Å²	132	80.6 Å²	80.6	86%	0.857	43%	0.43	S	S	*	.			trans	-76.1	-16.3	-167.2	28.8	-35.9	0	0	0	114.7
148	G	97.8	Very high	96.1	Very high	18 Å²	18	80.9 Å²	80.9	19%	0.186	43%	0.433	C	S	.	.	S	Bend	trans	-179.2	-169.2	-174.6	0	0	0	0	0	111.6	V146 G175	V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.24Å; V146-G148 PolarHBondContact O-N 3.44Å; G148-G175 CarbonylContact C-O 3.57Å; G148-G175 VanDerWaalsContact C-O 3.26Å
149	P	98	Very high	96.3	Very high	89 Å²	89	83.2 Å²	83.2	58%	0.578	46%	0.458	S	S	*	.	S	Bend	trans	-54	139.2	178.1	-26.7	34.8	0	0	0	113.2	F172	P149-F172 CarbonylContact C-O 3.41Å; P149-F172 WeakPolarHBondContact CA-O 3.31Å; P149-F172 WeakPolarHBondContact CB-O 3.36Å
150	G	97.7	Very high	96.7	Very high	32 Å²	32	84.2 Å²	84.2	33%	0.33	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	170	-179.3	0	0	0	0	0	113.9	F172	G150-F172 PolarHBondContact N-O 2.87Å; G150-F172 WeakPolarHBondContact O-CB 3.48Å; G150-F172 PolarHBondContact O-N 3.1Å
151	K	98	Very high	96.9	Very high	142 Å²	142	83.1 Å²	83.1	62%	0.617	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	134	176.1	-68.2	-179.5	-179	-179.1	0	110.9	L168 N171	K151-L168 HydrophobicContact CB-CD1 4.12Å; K151-L168 HydrophobicContact CD-CD1 4.31Å; K151-L168 HydrophobicContact CG-CD1 4.19Å; K151-N171 HydrophobicContact CG-CB 4.32Å; K151-N171 VanDerWaalsContact CG-OD1 3.23Å; K151-N171 WeakPolarHBondContact CG-OD1 3.4Å
152	V	98.2	Very high	97	Very high	16 Å²	16	86.1 Å²	86.1	10%	0.097	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.9	164.8	176.6	0	0	0	0	108.3	F144 V146 V169 H170 F172 A179	F144-V152 HydrophobicContact CZ-CG1 4.25Å; F144-V152 HydrophobicContact CZ-CG2 4.31Å; V146-V152 HydrophobicContact CG2-CG2 3.78Å; V152-V169 HydrophobicContact CB-CB 4.43Å; V152-V169 HydrophobicContact CG1-CB 4.04Å; V152-V169 HydrophobicContact CG1-CG1 4.47Å; V152-V169 HydrophobicContact CG1-CG2 4.31Å; V152-V169 WeakPolarHBondContact O-CA 3.46Å; V152-V169 WeakPolarHBondContact O-CB 3.36Å; V152-V169 PolarHBondContact O-N 3.29Å; V152-H170 PolarHBondContact N-O 3.26Å; V152-H170 PolarHBondContact O-N 3.44Å; V152-F172 HydrophobicContact CB-CE2 4.1Å; V152-F172 HydrophobicContact CG2-CD2 3.93Å; V152-F172 HydrophobicContact CG2-CE2 3.48Å; V152-F172 VanDerWaalsContact CG2-CE2 3.48Å; V152-A179 HydrophobicContact CG1-CB 3.85Å; V152-A179 HydrophobicContact CG2-CB 4.27Å
153	E	98.1	Very high	97.1	Very high	111 Å²	111	89 Å²	89	52%	0.519	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.2	-179.8	-60.8	-179.6	149.3	0	0	109.9	T166 Y167 L168	E153-T166 HydrophobicContact CB-CG2 3.74Å; E153-T166 HydrophobicContact CG-CG2 4.18Å; E153-Y167 CarbonylContact C-O 3.26Å; E153-Y167 VanDerWaalsContact CA-O 3.27Å; E153-Y167 WeakPolarHBondContact CA-O 3.49Å; E153-L168 HydrophobicContact CG-CD1 4.1Å
154	I	97.2	Very high	97.1	Very high	84 Å²	84	89.8 Å²	89.8	43%	0.431	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.6	172	-169.4	168.8	0	0	0	109.1	Y167 V169	I154-Y167 HydrophobicContact CG2-CD2 4.44Å; I154-Y167 PolarHBondContact N-O 3.14Å; I154-Y167 PolarHBondContact O-N 3.37Å; I154-V169 HydrophobicContact CB-CG2 3.91Å; I154-V169 HydrophobicContact CG2-CG2 3.74Å
155	T	97.5	Very high	97.1	Very high	67 Å²	67	87.5 Å²	87.5	41%	0.411	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.3	-173.9	-61.5	0	0	0	0	110.9	K164 V165 T166	T155-K164 HydrophobicContact CG2-CB 4.12Å; T155-K164 HydrophobicContact CG2-CD 4.23Å; T155-K164 HydrophobicContact CG2-CG 4.48Å; T155-V165 CarbonylContact C-O 3.48Å; T155-V165 WeakPolarHBondContact CA-O 3.33Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.48Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.33Å; T155-T166 PolarHBondContact OG1-OG1 3.05Å
156	Y	96.6	Very high	97.1	Very high	145 Å²	145	84.8 Å²	84.8	57%	0.569	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.1	168.1	171.8	-120.1	0	0	0	109.6	P158 K164 V165	Y156-P158 HydrophobicContact CD1-CG 4.13Å; Y156-P158 HydrophobicContact CE1-CB 4.34Å; Y156-P158 HydrophobicContact CE1-CG 3.66Å; Y156-K164 CarbonylContact O-C 3.54Å; Y156-K164 WeakPolarHBondContact O-CA 3.5Å; Y156-V165 PolarHBondContact N-O 2.89Å; Y156-V165 PolarHBondContact O-N 3.2Å
157	T	97.4	Very high	97.1	Very high	102 Å²	102	91 Å²	91	63%	0.626	51%	0.509	S	S	*	.			trans	-113.3	104.1	177.3	-57.2	0	0	0	0	108.9
158	P	97	Very high	97.1	Very high	13 Å²	13	89.5 Å²	89.5	8%	0.084	49%	0.494	C	S	.	.			trans	-58.6	143.7	175.6	-23.8	33.6	0	0	0	112.7	Y156 D160 T162	Y156-P158 HydrophobicContact CD1-CG 4.13Å; Y156-P158 HydrophobicContact CE1-CB 4.34Å; Y156-P158 HydrophobicContact CE1-CG 3.66Å; P158-D160 WeakPolarHBondContact CB-OD1 3.41Å; P158-T162 WeakPolarHBondContact CD-O 3.48Å; P158-T162 HydrophobicContact CG-CG2 4.29Å
159	S	96.3	Very high	97.1	Very high	133 Å²	133	92.4 Å²	92.4	93%	0.93	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.1	177.9	53.3	0	0	0	0	113.9	G161	S159-G161 PolarHBondContact O-N 3.19Å
160	D	96.2	Very high	97.1	Very high	121 Å²	121	92.9 Å²	92.9	65%	0.647	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	1.5	179.3	66	-7.2	0	0	0	113.4	P158 T162	P158-D160 WeakPolarHBondContact CB-OD1 3.41Å; D160-T162 VanDerWaalsContact C-N 3.31Å; D160-T162 WeakPolarHBondContact OD1-CB 2.98Å; D160-T162 PolarHBondContact OD1-N 3.36Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; D160-T162 PolarHBondContact OD2-OG1 3.38Å
161	G	93.6	Very high	97.1	Very high	70 Å²	70	93.9 Å²	93.9	72%	0.722	50%	0.5	S	S	*	.	S	Bend	trans	83.1	2.5	-177	0	0	0	0	0	114.3	S159	S159-G161 PolarHBondContact O-N 3.19Å
162	T	95.6	Very high	97.1	Very high	83 Å²	83	88.4 Å²	88.4	51%	0.509	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-57.9	147.9	170.3	-62	0	0	0	0	110.3	P158 D160 K164	P158-T162 WeakPolarHBondContact CD-O 3.48Å; P158-T162 HydrophobicContact CG-CG2 4.29Å; D160-T162 VanDerWaalsContact C-N 3.31Å; D160-T162 WeakPolarHBondContact OD1-CB 2.98Å; D160-T162 PolarHBondContact OD1-N 3.36Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; D160-T162 PolarHBondContact OD2-OG1 3.38Å; T162-K164 PolarHBondContact O-N 3.14Å
163	Q	96.7	Very high	97	Very high	167 Å²	167	94.8 Å²	94.8	78%	0.78	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-55.8	134.1	-175.7	-171	175.9	6.7	0	0	111.9
164	K	96.9	Very high	96.9	Very high	136 Å²	136	98.6 Å²	98.6	59%	0.591	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-55.1	142.3	173.6	70.6	178.4	-174.7	172.9	0	111	T155 Y156 T162	T155-K164 HydrophobicContact CG2-CB 4.12Å; T155-K164 HydrophobicContact CG2-CD 4.23Å; T155-K164 HydrophobicContact CG2-CG 4.48Å; Y156-K164 CarbonylContact O-C 3.54Å; Y156-K164 WeakPolarHBondContact O-CA 3.5Å; T162-K164 PolarHBondContact O-N 3.14Å
165	V	97.3	Very high	96.8	Very high	55 Å²	55	96.2 Å²	96.2	33%	0.333	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	175.5	-170.2	0	0	0	0	108.6	T155 Y156 Y167	T155-V165 CarbonylContact C-O 3.48Å; T155-V165 WeakPolarHBondContact CA-O 3.33Å; Y156-V165 PolarHBondContact N-O 2.89Å; Y156-V165 PolarHBondContact O-N 3.2Å; V165-Y167 HydrophobicContact CB-CE2 4.13Å; V165-Y167 HydrophobicContact CG1-CD2 4.27Å; V165-Y167 HydrophobicContact CG1-CE1 4.07Å; V165-Y167 HydrophobicContact CG1-CE2 3.54Å; V165-Y167 VanDerWaalsContact CG1-CZ 3.43Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.44Å
166	T	97.9	Very high	96.7	Very high	54 Å²	54	94.9 Å²	94.9	33%	0.331	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.8	178.3	-61.1	0	0	0	0	109.3	E153 T155	E153-T166 HydrophobicContact CB-CG2 3.74Å; E153-T166 HydrophobicContact CG-CG2 4.18Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.48Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.33Å; T155-T166 PolarHBondContact OG1-OG1 3.05Å
167	Y	97.3	Very high	96.8	Very high	140 Å²	140	89.4 Å²	89.4	55%	0.549	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.6	176.4	-58.1	-87.6	0	0	0	109.4	E153 I154 V165 V169	E153-Y167 CarbonylContact C-O 3.26Å; E153-Y167 VanDerWaalsContact CA-O 3.27Å; E153-Y167 WeakPolarHBondContact CA-O 3.49Å; I154-Y167 HydrophobicContact CG2-CD2 4.44Å; I154-Y167 PolarHBondContact N-O 3.14Å; I154-Y167 PolarHBondContact O-N 3.37Å; V165-Y167 HydrophobicContact CB-CE2 4.13Å; V165-Y167 HydrophobicContact CG1-CD2 4.27Å; V165-Y167 HydrophobicContact CG1-CE1 4.07Å; V165-Y167 HydrophobicContact CG1-CE2 3.54Å; V165-Y167 VanDerWaalsContact CG1-CZ 3.43Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.44Å; Y167-V169 PolarHBondContact O-N 2.85Å
168	L	97.9	Very high	96.8	Very high	101 Å²	101	90 Å²	90	53%	0.529	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.5	168.7	-178	67.2	0	0	0	108.7	K151 E153	K151-L168 HydrophobicContact CB-CD1 4.12Å; K151-L168 HydrophobicContact CD-CD1 4.31Å; K151-L168 HydrophobicContact CG-CD1 4.19Å; E153-L168 HydrophobicContact CG-CD1 4.1Å
169	V	97.2	Very high	96.8	Very high	79 Å²	79	90 Å²	90	48%	0.479	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-54.4	171.4	178.9	0	0	0	0	108.6	V152 I154 Y167	V152-V169 HydrophobicContact CB-CB 4.43Å; V152-V169 HydrophobicContact CG1-CB 4.04Å; V152-V169 HydrophobicContact CG1-CG1 4.47Å; V152-V169 HydrophobicContact CG1-CG2 4.31Å; V152-V169 WeakPolarHBondContact O-CA 3.46Å; V152-V169 WeakPolarHBondContact O-CB 3.36Å; V152-V169 PolarHBondContact O-N 3.29Å; I154-V169 HydrophobicContact CB-CG2 3.91Å; I154-V169 HydrophobicContact CG2-CG2 3.74Å; Y167-V169 PolarHBondContact O-N 2.85Å
170	H	98	Very high	96.9	Very high	100 Å²	100	88.2 Å²	88.2	46%	0.463	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	152.6	178.5	-166.9	61.1	0	0	0	111.8	V152 F172	V152-H170 PolarHBondContact N-O 3.26Å; V152-H170 PolarHBondContact O-N 3.44Å; H170-F172 HydrophobicContact CB-CD2 4.46Å; H170-F172 HydrophobicContact CB-CE2 4.01Å; H170-F172 HydrophobicContact CB-CZ 4.5Å; H170-F172 AromaticContact CD2-CD1 3.96Å; H170-F172 AromaticContact CD2-CD2 3.77Å; H170-F172 AromaticContact CD2-CE1 3.97Å; H170-F172 AromaticContact CD2-CE2 3.77Å; H170-F172 AromaticContact CD2-CG 3.86Å; H170-F172 AromaticContact CD2-CZ 3.88Å
171	N	98	Very high	96.9	Very high	53 Å²	53	83.7 Å²	83.7	28%	0.283	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	106.9	169	-176.9	44.6	0	0	0	108.6	K151 E173	K151-N171 HydrophobicContact CG-CB 4.32Å; K151-N171 VanDerWaalsContact CG-OD1 3.23Å; K151-N171 WeakPolarHBondContact CG-OD1 3.4Å; N171-E173 WeakPolarHBondContact ND2-CG 3.46Å; N171-E173 PolarHBondContact ND2-OE1 3.05Å; N171-E173 PolarHBondContact O-N 2.92Å
172	F	98	Very high	97	Very high	27 Å²	27	83.8 Å²	83.8	12%	0.118	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.1	176.4	-66.3	-96.9	0	0	0	109	V146 P149 G150 V152 H170 G175	V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.38Å; V146-F172 HydrophobicContact CG1-CD1 4.44Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.11Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.49Å; V146-F172 HydrophobicContact CG2-CE2 3.89Å; V146-F172 HydrophobicContact CG2-CZ 3.9Å; P149-F172 CarbonylContact C-O 3.41Å; P149-F172 WeakPolarHBondContact CA-O 3.31Å; P149-F172 WeakPolarHBondContact CB-O 3.36Å; G150-F172 PolarHBondContact N-O 2.87Å; G150-F172 WeakPolarHBondContact O-CB 3.48Å; G150-F172 PolarHBondContact O-N 3.1Å; V152-F172 HydrophobicContact CB-CE2 4.1Å; V152-F172 HydrophobicContact CG2-CD2 3.93Å; V152-F172 HydrophobicContact CG2-CE2 3.48Å; V152-F172 VanDerWaalsContact CG2-CE2 3.48Å; H170-F172 HydrophobicContact CB-CD2 4.46Å; H170-F172 HydrophobicContact CB-CE2 4.01Å; H170-F172 HydrophobicContact CB-CZ 4.5Å; H170-F172 AromaticContact CD2-CD1 3.96Å; H170-F172 AromaticContact CD2-CD2 3.77Å; H170-F172 AromaticContact CD2-CE1 3.97Å; H170-F172 AromaticContact CD2-CE2 3.77Å; H170-F172 AromaticContact CD2-CG 3.86Å; H170-F172 AromaticContact CD2-CZ 3.88Å; F172-G175 WeakPolarHBondContact CB-O 3.48Å
173	E	97.2	Very high	97.1	Very high	150 Å²	150	84 Å²	84	70%	0.701	45%	0.445	S	S	*	.			trans	-93.2	-41.8	-171.4	-67.6	-177.1	-179.5	0	0	113.9	N171	N171-E173 WeakPolarHBondContact ND2-CG 3.46Å; N171-E173 PolarHBondContact ND2-OE1 3.05Å; N171-E173 PolarHBondContact O-N 2.92Å
174	E	95	Very high	97.1	Very high	191 Å²	191	77.5 Å²	77.5	89%	0.893	42%	0.416	S	S	*	.	S	Bend	trans	-105.9	-26.3	-171.5	-63.1	-177.5	176.4	0	0	113.9
175	G	95.2	Very high	97	Very high	33 Å²	33	75.8 Å²	75.8	34%	0.34	41%	0.41	S	S	.	.	S	Bend	trans	-157.1	-172.8	-172.8	0	0	0	0	0	112.9	G148 F172	G148-G175 CarbonylContact C-O 3.57Å; G148-G175 VanDerWaalsContact C-O 3.26Å; F172-G175 WeakPolarHBondContact CB-O 3.48Å
176	G	96.2	Very high	97	Very high	40 Å²	40	76.2 Å²	76.2	41%	0.412	41%	0.41	S	S	.	.			trans	-83.2	-164.8	174	0	0	0	0	0	112.9	V146	V146-G176 CarbonylContact O-C 3.56Å; V146-G176 WeakPolarHBondContact O-CA 3Å
177	G	97.5	Very high	96.9	Very high	29 Å²	29	79.1 Å²	79.1	30%	0.299	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-145.8	177.8	0	0	0	0	0	111.8	V145 V146	V145-G177 WeakPolarHBondContact CA-O 3.23Å; V146-G177 PolarHBondContact N-O 2.99Å; V146-G177 PolarHBondContact O-N 3.39Å
178	V	98.1	Very high	96.8	Very high	114 Å²	114	73.4 Å²	73.4	69%	0.691	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.1	177	-66	0	0	0	0	109.7	F144	F144-V178 WeakPolarHBondContact O-CA 3.35Å
179	A	97.9	Very high	96.8	Very high	13 Å²	13	68.8 Å²	68.8	11%	0.107	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.8	173.7	0	0	0	0	0	109.9	D143 F144 V146 V152	D143-A179 VanDerWaalsContact CA-O 3.24Å; D143-A179 WeakPolarHBondContact CA-O 3.46Å; F144-A179 HydrophobicContact CD1-CB 4.43Å; F144-A179 HydrophobicContact CE1-CB 3.8Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 2.9Å; F144-A179 VanDerWaalsContact O-N 3.09Å; V146-A179 HydrophobicContact CG2-CB 4.09Å; V152-A179 HydrophobicContact CG1-CB 3.85Å; V152-A179 HydrophobicContact CG2-CB 4.27Å
180	M	96.9	Very high	96.8	Very high	96 Å²	96	68.3 Å²	68.3	47%	0.473	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.3	179.5	-177.5	178.5	62.8	0	0	110.4	Q138 A141 T142 D143 M182	Q138-M180 HydrophobicContact CB-SD 4.26Å; A141-M180 HydrophobicContact CB-CG 3.51Å; A141-M180 HydrophobicContact CB-SD 3.63Å; T142-M180 CarbonylContact O-C 3.58Å; T142-M180 WeakPolarHBondContact O-CA 3.47Å; D143-M180 HydrophobicContact CB-CB 4.13Å; D143-M180 HydrophobicContact CB-CG 4.12Å; M180-M182 HydrophobicContact CE-CE 4.01Å
181	G	96.5	Very high	96.6	Very high	27 Å²	27	64.9 Å²	64.9	28%	0.278	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.4	168.4	0	0	0	0	0	110.5	A141 T142	A141-G181 CarbonylContact C-O 3.59Å; A141-G181 WeakPolarHBondContact CA-O 3.46Å; A141-G181 VanDerWaalsContact CB-O 3.31Å; A141-G181 WeakPolarHBondContact CB-O 3.37Å; T142-G181 PolarHBondContact N-O 2.75Å; T142-G181 PolarHBondContact O-N 3.15Å
182	M	96.1	Very high	96.6	Very high	71 Å²	71	62.4 Å²	62.4	35%	0.35	34%	0.339	S	S	.	.			trans	-122.6	159	176.7	68.7	-178.9	127.8	0	0	111.4	A141 M180 Y219	A141-M182 HydrophobicContact CB-CB 3.95Å; M180-M182 HydrophobicContact CE-CE 4.01Å; M182-Y219 HydrophobicContact CG-CE2 4.13Å
183	Y	96.6	Very high	96.5	Very high	87 Å²	87	61.1 Å²	61.1	34%	0.341	33%	0.333	S	S	.	.			trans	-143.6	162.2	-176.8	70.9	-85.2	0	0	0	111.3	Y135 G136 D137 R140 Y219	Y135-Y183 HydrophobicContact CE1-CE2 4.34Å; G136-Y183 WeakPolarHBondContact CA-O 3.21Å; D137-Y183 PolarHBondContact N-O 2.99Å; R140-Y183 HydrophobicContact CB-CE1 4.14Å; R140-Y183 PolarHBondContact NE-OH 3.46Å; R140-Y183 PolarHBondContact NH1-OH 2.64Å; R140-Y183 WeakPolarHBondContact O-CE1 3.26Å; Y183-Y219 PolarHBondContact O-OH 3.3Å; Y183-Y219 VanDerWaalsContact O-OH 3.05Å
184	N	96.7	Very high	96.5	Very high	32 Å²	32	56 Å²	56	17%	0.171	31%	0.309	C	S	.	.			trans	-142.4	170.2	164.9	-132.7	-56.1	0	0	0	110.3	H133 Y135 D137 I189 F223	H133-N184 PolarHBondContact CE1-ND2 3.36Å; H133-N184 PolarHBondContact CE1-OD1 2.87Å; Y135-N184 VanDerWaalsContact CD1-OD1 3.27Å; Y135-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; D137-N184 PolarHBondContact OD1-ND2 3.34Å; N184-I189 HydrophobicContact CB-CD1 4.4Å; N184-F223 HydrophobicContact CB-CE2 4.13Å; N184-F223 HydrophobicContact CB-CZ 4.31Å
185	Q	96	Very high	96.6	Very high	99 Å²	99	47.2 Å²	47.2	46%	0.463	27%	0.269	S	S	.	.			trans	-120.9	136.5	-179.5	-64.7	-173.7	3	0	0	110.1	Y135 K187 S188 I189	Y135-Q185 HydrophobicContact CE1-CB 4.28Å; Y135-Q185 HydrophobicContact CE1-CG 4.08Å; Y135-Q185 PolarHBondContact OH-NE2 3.28Å; Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 PolarHBondContact O-N 3.14Å; Q185-S188 WeakPolarHBondContact O-CB 3.5Å; Q185-S188 PolarHBondContact O-N 3.41Å; Q185-I189 WeakPolarHBondContact O-CG1 3.32Å; Q185-I189 PolarHBondContact O-N 3.48Å
186	D	97.8	Very high	96.7	Very high	64 Å²	64	45.6 Å²	45.6	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-51.4	-48.4	177.1	-73.7	-10.9	0	0	0	111.4	S188 I189 E190 R222 I226	D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3Å; D186-I189 CarbonylContact O-C 3.59Å; D186-I189 WeakPolarHBondContact O-CA 3.47Å; D186-I189 WeakPolarHBondContact O-CB 3.2Å; D186-I189 PolarHBondContact O-N 2.85Å; D186-E190 VanDerWaalsContact O-CG 3.3Å; D186-E190 WeakPolarHBondContact O-CG 3.39Å; D186-E190 PolarHBondContact O-N 2.77Å; D186-R222 WeakPolarHBondContact OD1-CG 3.48Å; D186-R222 IonicContact OD1-CZ 2.74Å; D186-R222 IonicContact OD1-NE 2.67Å; D186-R222 PolarHBondContact OD1-NE 2.86Å; D186-R222 IonicContact OD1-NH2 2.64Å; D186-R222 IonicContact OD2-CZ 2.75Å; D186-R222 IonicContact OD2-NE 3.08Å; D186-R222 PolarHBondContact OD2-NE 2.89Å; D186-R222 IonicContact OD2-NH2 3.16Å; D186-R222 PolarHBondContact OD2-NH2 3.49Å; D186-I226 HydrophobicContact CB-CD1 4.02Å
187	K	95.5	Very high	96.8	Very high	116 Å²	116	43.7 Å²	43.7	50%	0.504	23%	0.233	S	C	.	.	H	α-helix	trans	-55.3	-40.5	177.3	179.8	54.5	-178.8	156.4	0	113.2	Q185 E190 D191	Q185-K187 VanDerWaalsContact C-N 3.28Å; Q185-K187 PolarHBondContact O-N 3.14Å; K187-E190 PolarHBondContact O-N 3.39Å; K187-D191 WeakPolarHBondContact CE-OD1 3.35Å; K187-D191 WeakPolarHBondContact CE-OD2 3.31Å; K187-D191 IonicContact NZ-OD1 3.88Å; K187-D191 PolarHBondContact NZ-OD1 3.4Å; K187-D191 IonicContact NZ-OD2 2.88Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 PolarHBondContact O-N 3.26Å
188	S	94.5	Very high	96.7	Very high	19 Å²	19	46.8 Å²	46.8	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-36	178.1	-171.9	0	0	0	0	112.1	H133 Y135 Q185 D186 F192	H133-S188 PolarHBondContact NE2-O 2.89Å; H133-S188 PolarHBondContact NE2-OG 3.13Å; Y135-S188 WeakPolarHBondContact CB-OG 3.44Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.48Å; Y135-S188 VanDerWaalsContact CG-OG 3.29Å; Q185-S188 WeakPolarHBondContact O-CB 3.5Å; Q185-S188 PolarHBondContact O-N 3.41Å; D186-S188 VanDerWaalsContact C-N 3.27Å; D186-S188 PolarHBondContact O-N 3Å; S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 2.55Å
189	I	97.3	Very high	96.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-41.5	175.6	-60.8	169.7	0	0	0	110.4	N184 Q185 D186 F192 A193 R222 F223 I226 F227	N184-I189 HydrophobicContact CB-CD1 4.4Å; Q185-I189 WeakPolarHBondContact O-CG1 3.32Å; Q185-I189 PolarHBondContact O-N 3.48Å; D186-I189 CarbonylContact O-C 3.59Å; D186-I189 WeakPolarHBondContact O-CA 3.47Å; D186-I189 WeakPolarHBondContact O-CB 3.2Å; D186-I189 PolarHBondContact O-N 2.85Å; I189-F192 WeakPolarHBondContact O-CB 3.46Å; I189-F192 PolarHBondContact O-N 3.31Å; I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.8Å; I189-R222 HydrophobicContact CD1-CG 4.43Å; I189-F223 HydrophobicContact CD1-CD1 4.36Å; I189-F223 HydrophobicContact CD1-CD2 3.65Å; I189-F223 HydrophobicContact CD1-CE1 4.31Å; I189-F223 HydrophobicContact CD1-CE2 3.58Å; I189-F223 HydrophobicContact CD1-CG 4.07Å; I189-F223 HydrophobicContact CD1-CZ 3.94Å; I189-F223 HydrophobicContact CG1-CD1 4.08Å; I189-F223 HydrophobicContact CG1-CD2 4.21Å; I189-F223 HydrophobicContact CG1-CE1 3.79Å; I189-F223 HydrophobicContact CG1-CE2 3.92Å; I189-F223 HydrophobicContact CG1-CG 4.29Å; I189-F223 HydrophobicContact CG1-CZ 3.71Å; I189-F223 HydrophobicContact CG2-CB 4.47Å; I189-F223 HydrophobicContact CG2-CD1 3.85Å; I189-F223 HydrophobicContact CG2-CE1 4.3Å; I189-F223 HydrophobicContact CG2-CG 4.11Å; I189-I226 HydrophobicContact CB-CD1 4.04Å; I189-I226 HydrophobicContact CB-CG2 4.47Å; I189-I226 HydrophobicContact CD1-CD1 4.21Å; I189-I226 HydrophobicContact CG2-CB 3.92Å; I189-I226 HydrophobicContact CG2-CD1 3.92Å; I189-I226 HydrophobicContact CG2-CG2 3.81Å; I189-F227 HydrophobicContact CG2-CD2 4.25Å; I189-F227 HydrophobicContact CG2-CE2 4.27Å
190	E	97	Very high	96.7	Very high	70 Å²	70	42.5 Å²	42.5	33%	0.327	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-48.6	175.4	-68.6	168.7	-177.7	0	0	111.1	D186 K187 F192 A193 H194 I226 I230	D186-E190 VanDerWaalsContact O-CG 3.3Å; D186-E190 WeakPolarHBondContact O-CG 3.39Å; D186-E190 PolarHBondContact O-N 2.77Å; K187-E190 PolarHBondContact O-N 3.39Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 2.96Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.04Å; E190-A193 VanDerWaalsContact O-N 3.11Å; E190-H194 PolarHBondContact O-CD2 3.21Å; E190-H194 PolarHBondContact O-N 3Å; E190-I226 HydrophobicContact CB-CG2 4.43Å; E190-I226 HydrophobicContact CG-CG2 3.72Å; E190-I230 HydrophobicContact CB-CD1 3.97Å; E190-I230 HydrophobicContact CG-CD1 4.05Å
191	D	95.2	Very high	96.7	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-38.8	178.1	-72.5	-18.7	0	0	0	112	K187 S195 P298	K187-D191 WeakPolarHBondContact CE-OD1 3.35Å; K187-D191 WeakPolarHBondContact CE-OD2 3.31Å; K187-D191 IonicContact NZ-OD1 3.88Å; K187-D191 PolarHBondContact NZ-OD1 3.4Å; K187-D191 IonicContact NZ-OD2 2.88Å; K187-D191 WeakPolarHBondContact O-CB 3.31Å; K187-D191 PolarHBondContact O-N 3.26Å; D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.05Å; D191-P298 HydrophobicContact CB-CB 3.9Å; D191-P298 HydrophobicContact CB-CG 3.72Å; D191-P298 WeakPolarHBondContact OD2-CG 3.49Å
192	F	96.9	Very high	96.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-41.9	172.9	174.2	-137.8	0	0	0	112.1	T106 G131 H133 S188 I189 E190 S196 L209 F223 F227 A268 C269	T106-F192 HydrophobicContact CG2-CD2 3.57Å; T106-F192 HydrophobicContact CG2-CE2 3.65Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; G131-F192 WeakPolarHBondContact O-CE2 3.36Å; G131-F192 WeakPolarHBondContact O-CZ 3.38Å; H133-F192 HydrophobicContact CB-CD1 3.6Å; H133-F192 HydrophobicContact CB-CD2 4.13Å; H133-F192 HydrophobicContact CB-CE1 3.64Å; H133-F192 HydrophobicContact CB-CE2 4.16Å; H133-F192 HydrophobicContact CB-CG 3.86Å; H133-F192 HydrophobicContact CB-CZ 3.91Å; H133-F192 AromaticContact CD2-CD1 3.98Å; H133-F192 AromaticContact CD2-CG 3.75Å; H133-F192 AromaticContact CG-CD1 3.72Å; H133-F192 AromaticContact CG-CG 3.92Å; S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 2.55Å; I189-F192 WeakPolarHBondContact O-CB 3.46Å; I189-F192 PolarHBondContact O-N 3.31Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 2.96Å; F192-S196 WeakPolarHBondContact CD2-OG 3.37Å; F192-S196 WeakPolarHBondContact CE2-OG 3.33Å; F192-S196 WeakPolarHBondContact O-CB 3.17Å; F192-S196 PolarHBondContact O-N 2.96Å; F192-S196 PolarHBondContact O-OG 2.92Å; F192-L209 HydrophobicContact CE1-CD1 4.16Å; F192-F223 HydrophobicContact CD1-CE1 4.31Å; F192-F227 AromaticContact CD1-CE2 3.53Å; F192-F227 HydrophobicContact CD1-CE2 3.53Å; F192-F227 AromaticContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD1-CZ 3.45Å; F192-F227 VanDerWaalsContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD2-CZ 4.45Å; F192-F227 AromaticContact CE1-CE2 3.9Å; F192-F227 HydrophobicContact CE1-CE2 3.9Å; F192-F227 AromaticContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CG-CE2 4.22Å; F192-F227 AromaticContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CZ-CZ 4.12Å; F192-A268 HydrophobicContact CE1-CB 4.25Å; F192-A268 HydrophobicContact CE2-CB 4.07Å; F192-A268 HydrophobicContact CZ-CB 3.53Å; F192-C269 WeakPolarHBondContact CZ-O 3.34Å
193	A	97.6	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-52.3	176.4	0	0	0	0	0	110.9	I189 E190 S195 S196 F197 F227 I230	I189-A193 WeakPolarHBondContact O-CB 3.4Å; I189-A193 PolarHBondContact O-N 2.8Å; E190-A193 WeakPolarHBondContact O-CB 3.39Å; E190-A193 PolarHBondContact O-N 3.04Å; E190-A193 VanDerWaalsContact O-N 3.11Å; A193-S195 PolarHBondContact O-N 3.29Å; A193-S196 PolarHBondContact O-N 3.16Å; A193-S196 VanDerWaalsContact O-N 3.14Å; A193-F197 HydrophobicContact CB-CD2 4.28Å; A193-F197 HydrophobicContact CB-CE2 3.95Å; A193-F197 WeakPolarHBondContact O-CD2 3.35Å; A193-F197 WeakPolarHBondContact O-CG 3.48Å; A193-F197 PolarHBondContact O-N 3.36Å; A193-F227 VanDerWaalsContact CA-CZ 3.4Å; A193-F227 HydrophobicContact CB-CD1 4.01Å; A193-F227 HydrophobicContact CB-CD2 3.58Å; A193-F227 HydrophobicContact CB-CE1 4.01Å; A193-F227 HydrophobicContact CB-CE2 3.58Å; A193-F227 HydrophobicContact CB-CG 3.8Å; A193-F227 HydrophobicContact CB-CZ 3.8Å; A193-I230 HydrophobicContact CB-CD1 3.73Å
194	H	96.4	Very high	96.7	Very high	43 Å²	43	40 Å²	40	20%	0.199	21%	0.211	C	C	.	.	H	α-helix	trans	-55.3	-48.9	178.3	-78.9	-62.9	0	0	0	112.6	E190 S196 F197 Q198 Q234 Y235	E190-H194 PolarHBondContact O-CD2 3.21Å; E190-H194 PolarHBondContact O-N 3Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 3.3Å; H194-F197 PolarHBondContact O-N 3.47Å; H194-Q198 WeakPolarHBondContact O-CB 3.3Å; H194-Q198 VanDerWaalsContact O-CG 3.24Å; H194-Q198 WeakPolarHBondContact O-CG 3.47Å; H194-Q198 PolarHBondContact O-N 2.97Å; H194-Q234 PolarHBondContact CE1-OE1 2.86Å; H194-Y235 AromaticContact CE1-CE2 3.91Å; H194-Y235 AromaticContact ND1-CE2 3.41Å; H194-Y235 WeakPolarHBondContact ND1-CE2 3.42Å; H194-Y235 AromaticContact ND1-CZ 3.58Å; H194-Y235 PolarHBondContact ND1-OH 2.85Å
195	S	96.2	Very high	96.8	Very high	5 Å²	5	41 Å²	41	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-43.9	177.7	-56.4	0	0	0	0	111.3	T106 F108 D191 A193 Q198 M199	T106-S195 VanDerWaalsContact OG1-CB 3.28Å; T106-S195 WeakPolarHBondContact OG1-CB 3.36Å; T106-S195 PolarHBondContact OG1-OG 3.49Å; F108-S195 WeakPolarHBondContact CZ-O 3.24Å; D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.04Å; D191-S195 PolarHBondContact O-OG 3.05Å; A193-S195 PolarHBondContact O-N 3.29Å; S195-Q198 PolarHBondContact O-N 3.48Å; S195-M199 WeakPolarHBondContact O-CB 3.28Å; S195-M199 PolarHBondContact O-N 2.79Å
196	S	97.8	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-43.2	-178.7	-57.2	0	0	0	0	112.2	F192 A193 H194 M199 A200	F192-S196 WeakPolarHBondContact CD2-OG 3.37Å; F192-S196 WeakPolarHBondContact CE2-OG 3.33Å; F192-S196 WeakPolarHBondContact O-CB 3.17Å; F192-S196 PolarHBondContact O-N 2.96Å; F192-S196 PolarHBondContact O-OG 2.92Å; A193-S196 PolarHBondContact O-N 3.16Å; A193-S196 VanDerWaalsContact O-N 3.14Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 3.3Å; S196-M199 PolarHBondContact O-N 2.87Å; S196-A200 WeakPolarHBondContact O-CB 3.02Å; S196-A200 PolarHBondContact O-N 2.89Å
197	F	98.3	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-41	176.5	-70.1	-59.6	0	0	0	112.2	A193 H194 A200 L201 L207 F227 I230 Y231 Y235 F239 Y246	A193-F197 HydrophobicContact CB-CD2 4.28Å; A193-F197 HydrophobicContact CB-CE2 3.95Å; A193-F197 WeakPolarHBondContact O-CD2 3.35Å; A193-F197 WeakPolarHBondContact O-CG 3.48Å; A193-F197 PolarHBondContact O-N 3.36Å; H194-F197 PolarHBondContact O-N 3.47Å; F197-A200 PolarHBondContact O-N 3.12Å; F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.14Å; F197-L207 HydrophobicContact CD1-CD2 3.37Å; F197-L207 HydrophobicContact CE1-CD2 3.49Å; F197-L207 VanDerWaalsContact CE1-CD2 3.49Å; F197-L207 HydrophobicContact CG-CD2 4.03Å; F197-L207 HydrophobicContact CZ-CD2 4.21Å; F197-F227 HydrophobicContact CE2-CD1 4.19Å; F197-F227 HydrophobicContact CZ-CD1 4.01Å; F197-F227 WeakPolarHBondContact CZ-O 3.46Å; F197-I230 HydrophobicContact CD2-CG2 3.84Å; F197-I230 HydrophobicContact CE2-CB 4.2Å; F197-I230 HydrophobicContact CE2-CG2 3.72Å; F197-Y231 HydrophobicContact CD1-CD2 4.33Å; F197-Y231 AromaticContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CG 4.25Å; F197-Y231 HydrophobicContact CZ-CD2 4.33Å; F197-Y231 HydrophobicContact CZ-CG 4.41Å; F197-Y235 HydrophobicContact CB-CD1 3.58Å; F197-Y235 HydrophobicContact CB-CD2 3.89Å; F197-Y235 HydrophobicContact CB-CE1 3.61Å; F197-Y235 HydrophobicContact CB-CE2 3.92Å; F197-Y235 HydrophobicContact CB-CG 3.7Å; F197-Y235 HydrophobicContact CD1-CG 4.37Å; F197-Y235 AromaticContact CD2-CD2 3.61Å; F197-Y235 HydrophobicContact CD2-CD2 3.61Å; F197-Y235 AromaticContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CG 4.16Å; F197-Y235 HydrophobicContact CE2-CD2 4.34Å; F197-Y235 HydrophobicContact CG-CD1 4.26Å; F197-Y235 AromaticContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CE2 4.13Å; F197-Y235 AromaticContact CG-CG 3.85Å; F197-Y235 HydrophobicContact CG-CG 3.85Å; F197-F239 HydrophobicContact CB-CE2 4.22Å; F197-F239 HydrophobicContact CB-CZ 4.36Å; F197-F239 HydrophobicContact CD1-CE1 4.34Å; F197-F239 AromaticContact CD1-CE2 3.89Å; F197-F239 HydrophobicContact CD1-CE2 3.89Å; F197-F239 AromaticContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CE1-CZ 4.43Å; F197-F239 HydrophobicContact CG-CZ 4.45Å; F197-Y246 HydrophobicContact CE1-CD1 4.18Å; F197-Y246 AromaticContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CE2 4.31Å; F197-Y246 AromaticContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CZ-CD1 4.28Å; F197-Y246 HydrophobicContact CZ-CD2 4.09Å; F197-Y246 HydrophobicContact CZ-CE1 4.46Å; F197-Y246 HydrophobicContact CZ-CE2 4.28Å; F197-Y246 HydrophobicContact CZ-CG 4.11Å
198	Q	96.1	Very high	97.1	Very high	93 Å²	93	29.4 Å²	29.4	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-64	-40.6	176	-74.1	171.4	-12.4	0	0	111.9	H194 S195 L201 S202 Y235	H194-Q198 WeakPolarHBondContact O-CB 3.3Å; H194-Q198 VanDerWaalsContact O-CG 3.24Å; H194-Q198 WeakPolarHBondContact O-CG 3.47Å; H194-Q198 PolarHBondContact O-N 2.97Å; S195-Q198 PolarHBondContact O-N 3.48Å; Q198-L201 PolarHBondContact O-N 3.25Å; Q198-S202 WeakPolarHBondContact O-CB 3.33Å; Q198-S202 PolarHBondContact O-N 3.03Å; Q198-Y235 HydrophobicContact CG-CE1 4.29Å
199	M	96.3	Very high	97.3	Very high	37 Å²	37	28.5 Å²	28.5	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-45	174.4	-177.4	58.4	69.6	0	0	111.5	F108 I129 S195 S196 L201 S202 K203 I266	F108-M199 HydrophobicContact CB-CE 4.14Å; F108-M199 HydrophobicContact CD1-CB 4.34Å; F108-M199 HydrophobicContact CD1-CE 4.06Å; F108-M199 HydrophobicContact CD1-CG 3.93Å; F108-M199 HydrophobicContact CD2-CE 3.68Å; F108-M199 HydrophobicContact CE1-CB 3.73Å; F108-M199 HydrophobicContact CE1-CE 4.4Å; F108-M199 HydrophobicContact CE1-CG 3.81Å; F108-M199 HydrophobicContact CE2-CB 4.48Å; F108-M199 HydrophobicContact CE2-CE 4.03Å; F108-M199 HydrophobicContact CG-CE 3.68Å; F108-M199 HydrophobicContact CZ-CB 3.81Å; F108-M199 HydrophobicContact CZ-CE 4.38Å; F108-M199 HydrophobicContact CZ-CG 4.29Å; I129-M199 HydrophobicContact CG2-CG 4.42Å; S195-M199 WeakPolarHBondContact O-CB 3.28Å; S195-M199 PolarHBondContact O-N 2.79Å; S196-M199 PolarHBondContact O-N 2.87Å; M199-L201 PolarHBondContact O-N 3.12Å; M199-S202 PolarHBondContact O-N 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.36Å; M199-K203 PolarHBondContact O-N 2.92Å; M199-K203 HydrophobicContact SD-CG 4.1Å; M199-I266 HydrophobicContact CG-CD1 3.82Å; M199-I266 HydrophobicContact CG-CG1 4.29Å; M199-I266 HydrophobicContact CG-CG2 4.43Å
200	A	98.2	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-45.4	177.2	0	0	0	0	0	112.5	S196 F197 S202 K203 G204 W205 L207 F239 I266	S196-A200 WeakPolarHBondContact O-CB 3.02Å; S196-A200 PolarHBondContact O-N 2.89Å; F197-A200 PolarHBondContact O-N 3.12Å; A200-S202 VanDerWaalsContact C-N 3.35Å; A200-S202 PolarHBondContact O-N 3.32Å; A200-K203 PolarHBondContact O-N 3.17Å; A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 3.39Å; A200-W205 WeakPolarHBondContact CB-O 3.21Å; A200-W205 PolarHBondContact O-N 2.86Å; A200-W205 VanDerWaalsContact O-N 3.1Å; A200-L207 HydrophobicContact CB-CB 3.97Å; A200-F239 HydrophobicContact CB-CE1 4.16Å; A200-F239 HydrophobicContact CB-CZ 3.64Å; A200-I266 HydrophobicContact CB-CG1 3.82Å
201	L	98	Very high	97.4	Very high	25 Å²	25	25 Å²	25	13%	0.131	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-37.6	174.6	-74.6	171.1	0	0	0	113.1	F197 Q198 M199 K203 Y235 Q238 F239 Q242 I244	F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.14Å; Q198-L201 PolarHBondContact O-N 3.25Å; M199-L201 PolarHBondContact O-N 3.12Å; L201-K203 VanDerWaalsContact C-N 3.31Å; L201-Y235 HydrophobicContact CD1-CD1 3.73Å; L201-Y235 HydrophobicContact CD1-CE1 4.07Å; L201-Q238 HydrophobicContact CD1-CB 4.07Å; L201-Q238 HydrophobicContact CD2-CB 3.74Å; L201-F239 HydrophobicContact CD1-CD2 4.5Å; L201-F239 HydrophobicContact CD1-CE2 4.19Å; L201-F239 HydrophobicContact CD2-CD2 3.76Å; L201-F239 HydrophobicContact CD2-CE2 3.93Å; L201-F239 HydrophobicContact CG-CD2 4.02Å; L201-F239 HydrophobicContact CG-CE2 3.67Å; L201-Q242 PolarHBondContact O-NE2 3.49Å; L201-Q242 PolarHBondContact O-OE1 3.1Å; L201-I244 HydrophobicContact CD2-CD1 4.28Å
202	S	95	Very high	97.5	Very high	101 Å²	101	26.4 Å²	26.4	71%	0.706	14%	0.141	S	C	*	.	H	α-helix	trans	-68	-32.4	178	-176.1	0	0	0	0	112.3	Q198 M199 A200	Q198-S202 WeakPolarHBondContact O-CB 3.33Å; Q198-S202 PolarHBondContact O-N 3.03Å; M199-S202 PolarHBondContact O-N 3.29Å; A200-S202 VanDerWaalsContact C-N 3.35Å; A200-S202 PolarHBondContact O-N 3.32Å
203	K	96.3	Very high	97.5	Very high	71 Å²	71	27.6 Å²	27.6	31%	0.309	15%	0.147	S	C	.	.	H	α-helix	trans	-90.9	-17.8	179.2	-68	-77.2	-178.3	162.2	0	112.8	E110 I129 M199 A200 L201 W205 I266	E110-K203 IonicContact OE1-NZ 2.88Å; E110-K203 PolarHBondContact OE1-NZ 3.22Å; E110-K203 IonicContact OE2-NZ 3.43Å; E110-K203 PolarHBondContact OE2-NZ 2.86Å; I129-K203 HydrophobicContact CD1-CD 3.83Å; I129-K203 VanDerWaalsContact CD1-CE 3.44Å; I129-K203 HydrophobicContact CD1-CG 3.85Å; M199-K203 WeakPolarHBondContact O-CG 3.36Å; M199-K203 PolarHBondContact O-N 2.92Å; M199-K203 HydrophobicContact SD-CG 4.1Å; A200-K203 PolarHBondContact O-N 3.17Å; L201-K203 VanDerWaalsContact C-N 3.31Å; K203-W205 VanDerWaalsContact C-N 3.34Å; K203-W205 HydrophobicContact CB-CB 4.3Å; K203-W205 HydrophobicContact CB-CD2 3.87Å; K203-W205 HydrophobicContact CB-CE3 3.98Å; K203-W205 HydrophobicContact CB-CG 4.06Å; K203-W205 HydrophobicContact CB-CZ3 4.47Å; K203-W205 HydrophobicContact CD-CH2 4.21Å; K203-W205 HydrophobicContact CD-CZ3 4.2Å; K203-W205 HydrophobicContact CG-CE3 4.38Å; K203-W205 HydrophobicContact CG-CZ3 4.48Å; K203-W205 PolarHBondContact O-NE1 2.95Å; K203-I266 HydrophobicContact CB-CD1 4.42Å; K203-I266 HydrophobicContact CG-CD1 4.27Å
204	G	98.1	Very high	97.4	Very high	32 Å²	32	31 Å²	31	33%	0.33	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	36.7	-171.7	0	0	0	0	0	112.3	A200 I244	A200-G204 WeakPolarHBondContact O-CA 3.26Å; A200-G204 PolarHBondContact O-N 3.39Å; G204-I244 VanDerWaalsContact O-CG2 3.32Å; G204-I244 WeakPolarHBondContact O-CG2 3.42Å
205	W	98.3	Very high	97.4	Very high	54 Å²	54	34.9 Å²	34.9	21%	0.205	19%	0.189	C	C	.	.			trans	-122.2	152.4	-175.8	-68.1	-12.2	0	0	0	112.4	P127 I129 A200 K203 I244 I266	P127-W205 HydrophobicContact CG-CH2 3.37Å; P127-W205 HydrophobicContact CG-CZ2 4.33Å; P127-W205 HydrophobicContact CG-CZ3 3.84Å; I129-W205 HydrophobicContact CD1-CE3 4.18Å; I129-W205 HydrophobicContact CD1-CZ3 3.64Å; I129-W205 HydrophobicContact CG1-CZ3 3.95Å; A200-W205 WeakPolarHBondContact CB-O 3.21Å; A200-W205 PolarHBondContact O-N 2.86Å; A200-W205 VanDerWaalsContact O-N 3.1Å; K203-W205 VanDerWaalsContact C-N 3.34Å; K203-W205 HydrophobicContact CB-CB 4.3Å; K203-W205 HydrophobicContact CB-CD2 3.87Å; K203-W205 HydrophobicContact CB-CE3 3.98Å; K203-W205 HydrophobicContact CB-CG 4.06Å; K203-W205 HydrophobicContact CB-CZ3 4.47Å; K203-W205 HydrophobicContact CD-CH2 4.21Å; K203-W205 HydrophobicContact CD-CZ3 4.2Å; K203-W205 HydrophobicContact CG-CE3 4.38Å; K203-W205 HydrophobicContact CG-CZ3 4.48Å; K203-W205 PolarHBondContact O-NE1 2.95Å; W205-I244 WeakPolarHBondContact O-CD1 3.23Å; W205-I266 HydrophobicContact CE3-CD1 4.12Å
206	P	98.6	Very high	97.4	Very high	15 Å²	15	38 Å²	38	10%	0.097	21%	0.205	C	C	.	.			trans	-63.3	152.7	174.1	27.8	-35.2	0	0	0	112	Y208 W245 F265 I266	P206-Y208 HydrophobicContact CB-CE2 4.15Å; P206-Y208 HydrophobicContact CG-CE2 4.19Å; P206-W245 VanDerWaalsContact CA-O 3.28Å; P206-W245 WeakPolarHBondContact CA-O 3.41Å; P206-W245 HydrophobicContact CB-CD2 3.73Å; P206-W245 HydrophobicContact CB-CE3 4.01Å; P206-W245 HydrophobicContact CB-CG 4.27Å; P206-W245 HydrophobicContact CB-CH2 4.08Å; P206-W245 HydrophobicContact CB-CZ2 3.82Å; P206-W245 HydrophobicContact CB-CZ3 4.17Å; P206-W245 HydrophobicContact CG-CH2 3.92Å; P206-W245 HydrophobicContact CG-CZ2 3.93Å; P206-W245 HydrophobicContact CG-CZ3 4.27Å; P206-F265 HydrophobicContact CG-CB 3.96Å; P206-F265 WeakPolarHBondContact O-CA 3.32Å; P206-F265 WeakPolarHBondContact O-CB 3.38Å; P206-I266 PolarHBondContact O-N 3.04Å
207	L	98.8	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.5	177.5	173.9	64.9	0	0	0	110.7	F197 A200 F239 W245 Y246 E247 I266 A268	F197-L207 HydrophobicContact CD1-CD2 3.37Å; F197-L207 HydrophobicContact CE1-CD2 3.49Å; F197-L207 VanDerWaalsContact CE1-CD2 3.49Å; F197-L207 HydrophobicContact CG-CD2 4.03Å; F197-L207 HydrophobicContact CZ-CD2 4.21Å; A200-L207 HydrophobicContact CB-CB 3.97Å; L207-F239 HydrophobicContact CB-CE1 4.2Å; L207-F239 HydrophobicContact CB-CZ 4.46Å; L207-W245 PolarHBondContact N-O 3.12Å; L207-Y246 HydrophobicContact CB-CD2 4.31Å; L207-Y246 HydrophobicContact CD2-CD2 3.95Å; L207-Y246 HydrophobicContact CD2-CE2 4.48Å; L207-Y246 HydrophobicContact CG-CD2 3.98Å; L207-Y246 WeakPolarHBondContact O-CA 3.38Å; L207-E247 PolarHBondContact O-N 2.65Å; L207-I266 WeakPolarHBondContact CA-O 3.34Å; L207-I266 HydrophobicContact CD1-CB 3.66Å; L207-I266 HydrophobicContact CD1-CG2 3.6Å; L207-A268 HydrophobicContact CD1-CB 3.97Å
208	Y	98.8	Very high	97.3	Very high	19 Å²	19	54.3 Å²	54.3	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120	170.7	-60.9	-86.5	0	0	0	110.6	P206 W245 E247 R249 M254 F265 I266 W267 A268	P206-Y208 HydrophobicContact CB-CE2 4.15Å; P206-Y208 HydrophobicContact CG-CE2 4.19Å; Y208-W245 AromaticContact CE1-NE1 3.94Å; Y208-W245 AromaticContact CZ-NE1 3.69Å; Y208-W245 WeakPolarHBondContact OH-CZ2 3.44Å; Y208-W245 PolarHBondContact OH-NE1 3.36Å; Y208-E247 VanDerWaalsContact CA-O 3.27Å; Y208-E247 WeakPolarHBondContact CA-O 3.43Å; Y208-E247 HydrophobicContact CD1-CB 3.84Å; Y208-E247 HydrophobicContact CE1-CB 3.89Å; Y208-E247 HydrophobicContact CE1-CG 4.5Å; Y208-E247 WeakPolarHBondContact CE1-OE2 3.37Å; Y208-R249 HydrophobicContact CD1-CG 4.26Å; Y208-M254 HydrophobicContact CD1-CE 4.32Å; Y208-M254 HydrophobicContact CD1-SD 4.02Å; Y208-M254 HydrophobicContact CD2-CE 3.69Å; Y208-M254 HydrophobicContact CD2-SD 4.45Å; Y208-M254 HydrophobicContact CE2-CE 4.4Å; Y208-M254 HydrophobicContact CG-CE 3.64Å; Y208-M254 HydrophobicContact CG-SD 3.84Å; Y208-F265 HydrophobicContact CD2-CB 3.92Å; Y208-F265 AromaticContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CG 4.01Å; Y208-F265 HydrophobicContact CE2-CB 3.78Å; Y208-F265 HydrophobicContact CE2-CD2 4.26Å; Y208-F265 HydrophobicContact CE2-CG 4.02Å; Y208-I266 PolarHBondContact N-O 3.48Å; Y208-W267 CarbonylContact O-C 3.57Å; Y208-A268 PolarHBondContact O-N 2.82Å
209	L	98.8	Very high	97.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.6	161.1	171.5	69.1	0	0	0	108	F192 T211 F223 F227 Y246 E247 H248 R249 A268	F192-L209 HydrophobicContact CE1-CD1 4.16Å; L209-T211 HydrophobicContact CD1-CG2 4.08Å; L209-T211 HydrophobicContact CD2-CG2 4.23Å; L209-T211 HydrophobicContact CG-CG2 4.05Å; L209-F223 HydrophobicContact CD2-CB 4.43Å; L209-F227 HydrophobicContact CB-CD1 3.95Å; L209-F227 HydrophobicContact CB-CE1 4.15Å; L209-F227 HydrophobicContact CB-CG 4.45Å; L209-F227 HydrophobicContact CD1-CD1 4.48Å; L209-F227 HydrophobicContact CD1-CD2 4.49Å; L209-F227 HydrophobicContact CD1-CE1 4.16Å; L209-F227 HydrophobicContact CD1-CE2 4.18Å; L209-F227 HydrophobicContact CD1-CZ 4Å; L209-F227 HydrophobicContact CD2-CB 3.83Å; L209-F227 HydrophobicContact CD2-CD1 3.98Å; L209-F227 HydrophobicContact CD2-CD2 3.79Å; L209-F227 HydrophobicContact CD2-CE1 4.46Å; L209-F227 HydrophobicContact CD2-CE2 4.3Å; L209-F227 HydrophobicContact CD2-CG 3.61Å; L209-F227 HydrophobicContact CG-CD1 4.33Å; L209-F227 HydrophobicContact CG-CE1 4.47Å; L209-F227 HydrophobicContact CG-CG 4.43Å; L209-Y246 HydrophobicContact CB-CE2 3.88Å; L209-E247 PolarHBondContact N-O 3.15Å; L209-H248 CarbonylContact O-C 3.57Å; L209-H248 WeakPolarHBondContact O-CA 3.38Å; L209-H248 PolarHBondContact O-CD2 2.99Å; L209-R249 PolarHBondContact O-N 3.25Å; L209-A268 HydrophobicContact CB-CB 4.48Å; L209-A268 HydrophobicContact CD1-CB 4.15Å
210	S	98.4	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	174.7	66.8	0	0	0	0	113.1	R249 I251 W267 A268	S210-R249 VanDerWaalsContact CA-O 3.25Å; S210-R249 WeakPolarHBondContact CA-O 3.37Å; S210-I251 WeakPolarHBondContact OG-CD1 3.31Å; S210-W267 PolarHBondContact OG-NE1 2.77Å; S210-A268 PolarHBondContact N-O 3.43Å
211	T	97.9	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-177	176.5	73	0	0	0	0	111.1	L209 F223 H248 R249 L250 I251 K270	L209-T211 HydrophobicContact CD1-CG2 4.08Å; L209-T211 HydrophobicContact CD2-CG2 4.23Å; L209-T211 HydrophobicContact CG-CG2 4.05Å; T211-F223 HydrophobicContact CG2-CB 4.15Å; T211-H248 PolarHBondContact OG1-NE2 3.41Å; T211-R249 PolarHBondContact N-O 3.07Å; T211-R249 VanDerWaalsContact N-O 3.14Å; T211-L250 CarbonylContact O-C 3.59Å; T211-L250 VanDerWaalsContact O-CA 3.25Å; T211-L250 WeakPolarHBondContact O-CA 3.11Å; T211-I251 PolarHBondContact O-N 2.97Å; T211-K270 HydrophobicContact CG2-CG 4.35Å
212	K	96.8	Very high	97.5	Very high	58 Å²	58	54.7 Å²	54.7	25%	0.252	27%	0.272	S	S	.	.			trans	-117.9	47.4	173.4	-157.4	79	-175.5	-173.5	0	111.3	T214 I215 L216 D220 I251 D252	K212-T214 PolarHBondContact O-N 2.87Å; K212-I215 HydrophobicContact CG-CB 3.97Å; K212-I215 HydrophobicContact CG-CG1 3.73Å; K212-I215 PolarHBondContact O-N 2.95Å; K212-L216 PolarHBondContact O-N 3.35Å; K212-D220 WeakPolarHBondContact CA-OD2 3.45Å; K212-D220 PolarHBondContact N-OD2 2.72Å; K212-I251 HydrophobicContact CB-CG2 4.24Å; K212-I251 HydrophobicContact CD-CG2 3.89Å; K212-D252 IonicContact NZ-OD1 3.31Å; K212-D252 PolarHBondContact NZ-OD1 3.49Å; K212-D252 IonicContact NZ-OD2 3.23Å; K212-D252 PolarHBondContact NZ-OD2 3.09Å
213	N	96.3	Very high	97.7	Very high	26 Å²	26	50 Å²	50	14%	0.139	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.7	-175.9	74.8	-63.8	0	0	0	115.1	I215 K217 D220 H248 L250	N213-I215 VanDerWaalsContact C-N 3.28Å; N213-K217 VanDerWaalsContact O-CA 3.23Å; N213-K217 WeakPolarHBondContact O-CA 3.41Å; N213-K217 PolarHBondContact O-N 3.26Å; N213-D220 HydrophobicContact CB-CB 3.92Å; N213-H248 PolarHBondContact OD1-CE1 2.76Å; N213-L250 WeakPolarHBondContact OD1-CD2 3.35Å
214	T	95.3	Very high	97.8	Very high	72 Å²	72	49.6 Å²	49.6	44%	0.442	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-28.1	172.1	49.3	0	0	0	0	112.5	K212 L250	K212-T214 PolarHBondContact O-N 2.87Å; T214-L250 HydrophobicContact CG2-CD1 4.14Å; T214-L250 HydrophobicContact CG2-CD2 3.97Å
215	I	97	Very high	97.8	Very high	125 Å²	125	52 Å²	52	64%	0.641	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-55.6	175.7	-55.1	-57.3	0	0	0	109.8	K212 N213 K217	K212-I215 HydrophobicContact CG-CB 3.97Å; K212-I215 HydrophobicContact CG-CG1 3.73Å; K212-I215 PolarHBondContact O-N 2.95Å; N213-I215 VanDerWaalsContact C-N 3.28Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact O-N 3.1Å
216	L	95.4	Very high	97.8	Very high	69 Å²	69	49.7 Å²	49.7	36%	0.361	23%	0.234	S	C	.	.	S	Bend	trans	-89.1	63.8	178.4	-67.2	176.9	0	0	0	110.9	K212 K218 Y219 D220 G221	K212-L216 PolarHBondContact O-N 3.35Å; L216-K218 PolarHBondContact O-N 3.43Å; L216-K218 VanDerWaalsContact O-N 3.11Å; L216-Y219 PolarHBondContact O-N 2.89Å; L216-D220 HydrophobicContact CB-CB 3.83Å; L216-D220 WeakPolarHBondContact CD1-OD1 3.34Å; L216-D220 WeakPolarHBondContact O-CB 3.43Å; L216-D220 PolarHBondContact O-N 2.98Å; L216-G221 PolarHBondContact O-N 3.15Å
217	K	97.1	Very high	97.8	Very high	158 Å²	158	49 Å²	49	69%	0.687	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.5	-171.3	-64.4	-177.9	-176.8	177.7	0	115	N213 I215 G221	N213-K217 VanDerWaalsContact O-CA 3.23Å; N213-K217 WeakPolarHBondContact O-CA 3.41Å; N213-K217 PolarHBondContact O-N 3.26Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact O-N 3.1Å; K217-G221 WeakPolarHBondContact O-CA 3.47Å
218	K	97.8	Very high	97.8	Very high	185 Å²	185	52.3 Å²	52.3	80%	0.804	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-50	-180	-63	-62.6	-175.5	178.8	0	111.7	L216 R222	L216-K218 PolarHBondContact O-N 3.43Å; L216-K218 VanDerWaalsContact O-N 3.11Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3.41Å
219	Y	97.8	Very high	97.8	Very high	52 Å²	52	55.9 Å²	55.9	20%	0.204	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-61.3	-176.3	-163.8	-79.3	0	0	0	111.8	D137 M182 Y183 L216 G221 R222 F223	D137-Y219 WeakPolarHBondContact OD1-CE1 3.14Å; D137-Y219 PolarHBondContact OD1-OH 3.15Å; M182-Y219 HydrophobicContact CG-CE2 4.13Å; Y183-Y219 PolarHBondContact O-OH 3.3Å; Y183-Y219 VanDerWaalsContact O-OH 3.05Å; L216-Y219 PolarHBondContact O-N 2.89Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 2.94Å; Y219-R222 WeakPolarHBondContact O-CB 3.39Å; Y219-R222 PolarHBondContact O-N 3.23Å; Y219-F223 HydrophobicContact CD1-CE2 4.24Å; Y219-F223 AromaticContact CE1-CE2 3.88Å; Y219-F223 HydrophobicContact CE1-CE2 3.88Å
220	D	98.1	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-76.1	-23.8	179.7	-74.4	20.8	0	0	0	112	K212 N213 L216 R222 F223 K224 K270	K212-D220 WeakPolarHBondContact CA-OD2 3.45Å; K212-D220 PolarHBondContact N-OD2 2.72Å; N213-D220 HydrophobicContact CB-CB 3.92Å; L216-D220 HydrophobicContact CB-CB 3.83Å; L216-D220 WeakPolarHBondContact CD1-OD1 3.34Å; L216-D220 WeakPolarHBondContact O-CB 3.43Å; L216-D220 PolarHBondContact O-N 2.98Å; D220-R222 VanDerWaalsContact C-N 3.31Å; D220-F223 PolarHBondContact O-N 3.24Å; D220-K224 PolarHBondContact O-N 2.8Å; D220-K224 VanDerWaalsContact O-N 3.16Å; D220-K270 VanDerWaalsContact CG-NZ 3.3Å; D220-K270 WeakPolarHBondContact OD1-CE 3.4Å; D220-K270 IonicContact OD1-NZ 2.94Å; D220-K270 PolarHBondContact OD1-NZ 3.45Å; D220-K270 WeakPolarHBondContact OD2-CE 3.35Å; D220-K270 IonicContact OD2-NZ 3.04Å; D220-K270 PolarHBondContact OD2-NZ 3.24Å; D220-K270 VanDerWaalsContact OD2-NZ 3.08Å
221	G	98.4	Very high	97.8	Very high	5 Å²	5	57.6 Å²	57.6	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-43	168	0	0	0	0	0	111.7	L216 K217 Y219 F223 K224 D225	L216-G221 PolarHBondContact O-N 3.15Å; K217-G221 WeakPolarHBondContact O-CA 3.47Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 2.94Å; G221-F223 PolarHBondContact O-N 2.75Å; G221-K224 PolarHBondContact O-N 2.99Å; G221-D225 WeakPolarHBondContact O-CB 3.28Å; G221-D225 PolarHBondContact O-N 3.15Å
222	R	98.5	Very high	97.9	Very high	107 Å²	107	61.4 Å²	61.4	40%	0.404	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-40.8	178.8	-168.1	58.5	171.9	164.7	1.6	112.6	D186 I189 K218 Y219 D220 D225 I226	D186-R222 WeakPolarHBondContact OD1-CG 3.48Å; D186-R222 IonicContact OD1-CZ 2.74Å; D186-R222 IonicContact OD1-NE 2.67Å; D186-R222 PolarHBondContact OD1-NE 2.86Å; D186-R222 IonicContact OD1-NH2 2.64Å; D186-R222 IonicContact OD2-CZ 2.75Å; D186-R222 IonicContact OD2-NE 3.08Å; D186-R222 PolarHBondContact OD2-NE 2.89Å; D186-R222 IonicContact OD2-NH2 3.16Å; D186-R222 PolarHBondContact OD2-NH2 3.49Å; I189-R222 HydrophobicContact CD1-CG 4.43Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3.41Å; Y219-R222 WeakPolarHBondContact O-CB 3.39Å; Y219-R222 PolarHBondContact O-N 3.23Å; D220-R222 VanDerWaalsContact C-N 3.31Å; R222-D225 PolarHBondContact O-N 3.17Å; R222-I226 HydrophobicContact CG-CD1 3.88Å; R222-I226 WeakPolarHBondContact O-CB 3.21Å; R222-I226 VanDerWaalsContact O-CG1 3.3Å; R222-I226 WeakPolarHBondContact O-CG1 3.43Å; R222-I226 PolarHBondContact O-N 3.27Å
223	F	98.7	Very high	98	Very high	1 Å²	1	65.6 Å²	65.6	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-52	172.3	-84.8	-102.1	0	0	0	112.3	H133 N184 I189 F192 L209 T211 Y219 D220 G221 D225 I226 F227 K270	H133-F223 AromaticContact CE1-CE1 3.74Å; H133-F223 AromaticContact CE1-CZ 3.69Å; H133-F223 AromaticContact ND1-CE1 3.28Å; H133-F223 VanDerWaalsContact ND1-CE1 3.28Å; H133-F223 WeakPolarHBondContact ND1-CE1 3.39Å; H133-F223 AromaticContact ND1-CZ 3.39Å; H133-F223 WeakPolarHBondContact ND1-CZ 3.45Å; N184-F223 HydrophobicContact CB-CE2 4.13Å; N184-F223 HydrophobicContact CB-CZ 4.31Å; I189-F223 HydrophobicContact CD1-CD1 4.36Å; I189-F223 HydrophobicContact CD1-CD2 3.65Å; I189-F223 HydrophobicContact CD1-CE1 4.31Å; I189-F223 HydrophobicContact CD1-CE2 3.58Å; I189-F223 HydrophobicContact CD1-CG 4.07Å; I189-F223 HydrophobicContact CD1-CZ 3.94Å; I189-F223 HydrophobicContact CG1-CD1 4.08Å; I189-F223 HydrophobicContact CG1-CD2 4.21Å; I189-F223 HydrophobicContact CG1-CE1 3.79Å; I189-F223 HydrophobicContact CG1-CE2 3.92Å; I189-F223 HydrophobicContact CG1-CG 4.29Å; I189-F223 HydrophobicContact CG1-CZ 3.71Å; I189-F223 HydrophobicContact CG2-CB 4.47Å; I189-F223 HydrophobicContact CG2-CD1 3.85Å; I189-F223 HydrophobicContact CG2-CE1 4.3Å; I189-F223 HydrophobicContact CG2-CG 4.11Å; F192-F223 HydrophobicContact CD1-CE1 4.31Å; L209-F223 HydrophobicContact CD2-CB 4.43Å; T211-F223 HydrophobicContact CG2-CB 4.15Å; Y219-F223 HydrophobicContact CD1-CE2 4.24Å; Y219-F223 AromaticContact CE1-CE2 3.88Å; Y219-F223 HydrophobicContact CE1-CE2 3.88Å; D220-F223 PolarHBondContact O-N 3.24Å; G221-F223 PolarHBondContact O-N 2.75Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.43Å; F223-I226 PolarHBondContact O-N 2.86Å; F223-F227 WeakPolarHBondContact O-CD2 3.43Å; F223-F227 PolarHBondContact O-N 3.4Å; F223-K270 HydrophobicContact CE1-CG 4.29Å; F223-K270 HydrophobicContact CZ-CG 4.44Å
224	K	98.6	Very high	98	Very high	64 Å²	64	69 Å²	69	28%	0.278	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-48	-179.4	-177.8	-166.7	69.5	163.1	0	111.2	D220 G221 F227 Q228 H248	D220-K224 PolarHBondContact O-N 2.8Å; D220-K224 VanDerWaalsContact O-N 3.16Å; G221-K224 PolarHBondContact O-N 2.99Å; K224-F227 PolarHBondContact O-N 3.46Å; K224-Q228 WeakPolarHBondContact O-CB 3.48Å; K224-Q228 PolarHBondContact O-N 3.35Å; K224-H248 HydrophobicContact CG-CB 4.08Å
225	D	98.7	Very high	98.2	Very high	81 Å²	81	66.2 Å²	66.2	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-43.9	-175.5	-63.3	-13.9	0	0	0	111.1	G221 R222 F223 Q228 E229	G221-D225 WeakPolarHBondContact O-CB 3.28Å; G221-D225 PolarHBondContact O-N 3.15Å; R222-D225 PolarHBondContact O-N 3.17Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.43Å; D225-Q228 PolarHBondContact O-N 2.84Å; D225-E229 WeakPolarHBondContact O-CB 3.25Å; D225-E229 PolarHBondContact O-N 3.15Å
226	I	98.7	Very high	98.3	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-47.3	177	-71	171.7	0	0	0	111.4	D186 I189 E190 R222 F223 Q228 E229 I230	D186-I226 HydrophobicContact CB-CD1 4.02Å; I189-I226 HydrophobicContact CB-CD1 4.04Å; I189-I226 HydrophobicContact CB-CG2 4.47Å; I189-I226 HydrophobicContact CD1-CD1 4.21Å; I189-I226 HydrophobicContact CG2-CB 3.92Å; I189-I226 HydrophobicContact CG2-CD1 3.92Å; I189-I226 HydrophobicContact CG2-CG2 3.81Å; E190-I226 HydrophobicContact CB-CG2 4.43Å; E190-I226 HydrophobicContact CG-CG2 3.72Å; R222-I226 HydrophobicContact CG-CD1 3.88Å; R222-I226 WeakPolarHBondContact O-CB 3.21Å; R222-I226 VanDerWaalsContact O-CG1 3.3Å; R222-I226 WeakPolarHBondContact O-CG1 3.43Å; R222-I226 PolarHBondContact O-N 3.27Å; F223-I226 PolarHBondContact O-N 2.86Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.44Å; I226-E229 PolarHBondContact O-N 3.05Å; I226-I230 HydrophobicContact CG2-CD1 3.79Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 WeakPolarHBondContact O-CG1 3.4Å; I226-I230 PolarHBondContact O-N 3.4Å
227	F	98.7	Very high	98.4	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-43.5	177.9	-94.8	-115	0	0	0	111.7	I189 F192 A193 F197 L209 F223 K224 I230 Y231 Y246 A268	I189-F227 HydrophobicContact CG2-CD2 4.25Å; I189-F227 HydrophobicContact CG2-CE2 4.27Å; F192-F227 AromaticContact CD1-CE2 3.53Å; F192-F227 HydrophobicContact CD1-CE2 3.53Å; F192-F227 AromaticContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD1-CZ 3.45Å; F192-F227 VanDerWaalsContact CD1-CZ 3.45Å; F192-F227 HydrophobicContact CD2-CZ 4.45Å; F192-F227 AromaticContact CE1-CE2 3.9Å; F192-F227 HydrophobicContact CE1-CE2 3.9Å; F192-F227 AromaticContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CE1-CZ 3.54Å; F192-F227 HydrophobicContact CG-CE2 4.22Å; F192-F227 AromaticContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CG-CZ 3.94Å; F192-F227 HydrophobicContact CZ-CZ 4.12Å; A193-F227 VanDerWaalsContact CA-CZ 3.4Å; A193-F227 HydrophobicContact CB-CD1 4.01Å; A193-F227 HydrophobicContact CB-CD2 3.58Å; A193-F227 HydrophobicContact CB-CE1 4.01Å; A193-F227 HydrophobicContact CB-CE2 3.58Å; A193-F227 HydrophobicContact CB-CG 3.8Å; A193-F227 HydrophobicContact CB-CZ 3.8Å; F197-F227 HydrophobicContact CE2-CD1 4.19Å; F197-F227 HydrophobicContact CZ-CD1 4.01Å; F197-F227 WeakPolarHBondContact CZ-O 3.46Å; L209-F227 HydrophobicContact CB-CD1 3.95Å; L209-F227 HydrophobicContact CB-CE1 4.15Å; L209-F227 HydrophobicContact CB-CG 4.45Å; L209-F227 HydrophobicContact CD1-CD1 4.48Å; L209-F227 HydrophobicContact CD1-CD2 4.49Å; L209-F227 HydrophobicContact CD1-CE1 4.16Å; L209-F227 HydrophobicContact CD1-CE2 4.18Å; L209-F227 HydrophobicContact CD1-CZ 4Å; L209-F227 HydrophobicContact CD2-CB 3.83Å; L209-F227 HydrophobicContact CD2-CD1 3.98Å; L209-F227 HydrophobicContact CD2-CD2 3.79Å; L209-F227 HydrophobicContact CD2-CE1 4.46Å; L209-F227 HydrophobicContact CD2-CE2 4.3Å; L209-F227 HydrophobicContact CD2-CG 3.61Å; L209-F227 HydrophobicContact CG-CD1 4.33Å; L209-F227 HydrophobicContact CG-CE1 4.47Å; L209-F227 HydrophobicContact CG-CG 4.43Å; F223-F227 WeakPolarHBondContact O-CD2 3.43Å; F223-F227 PolarHBondContact O-N 3.4Å; K224-F227 PolarHBondContact O-N 3.46Å; F227-I230 PolarHBondContact O-N 3.47Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.88Å; F227-Y246 HydrophobicContact CB-CE2 4.47Å; F227-Y246 VanDerWaalsContact CB-OH 3.23Å; F227-Y246 WeakPolarHBondContact CB-OH 3.48Å; F227-Y246 AromaticContact CD1-CE2 3.97Å; F227-Y246 HydrophobicContact CD1-CE2 3.97Å; F227-A268 HydrophobicContact CE1-CB 4.12Å; F227-A268 HydrophobicContact CZ-CB 4.34Å
228	Q	98.8	Very high	98.5	Very high	69 Å²	69	61.7 Å²	61.7	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-45.5	179.2	-172.8	61	55.5	0	0	111.4	K224 D225 I226 I230 Y231 D232	K224-Q228 WeakPolarHBondContact O-CB 3.48Å; K224-Q228 PolarHBondContact O-N 3.35Å; D225-Q228 PolarHBondContact O-N 2.84Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.44Å; Q228-I230 PolarHBondContact O-N 3.31Å; Q228-Y231 WeakPolarHBondContact O-CB 3.38Å; Q228-Y231 PolarHBondContact O-N 2.92Å; Q228-D232 VanDerWaalsContact NE2-CG 3.3Å; Q228-D232 PolarHBondContact NE2-OD1 3.28Å; Q228-D232 PolarHBondContact NE2-OD2 2.84Å; Q228-D232 PolarHBondContact O-N 2.75Å
229	E	98.7	Very high	98.5	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-45	178	-178.2	178.3	168.9	0	0	112.1	D225 I226 K233	D225-E229 WeakPolarHBondContact O-CB 3.25Å; D225-E229 PolarHBondContact O-N 3.15Å; I226-E229 PolarHBondContact O-N 3.05Å; E229-K233 HydrophobicContact CG-CD 3.93Å; E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 2.7Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 3.98Å; E229-K233 PolarHBondContact OE1-NZ 2.8Å
230	I	98.5	Very high	98.6	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-43.6	177.1	-72.8	171.9	0	0	0	110.9	E190 A193 F197 I226 F227 Q228 K233 Q234 Y235	E190-I230 HydrophobicContact CB-CD1 3.97Å; E190-I230 HydrophobicContact CG-CD1 4.05Å; A193-I230 HydrophobicContact CB-CD1 3.73Å; F197-I230 HydrophobicContact CD2-CG2 3.84Å; F197-I230 HydrophobicContact CE2-CB 4.2Å; F197-I230 HydrophobicContact CE2-CG2 3.72Å; I226-I230 HydrophobicContact CG2-CD1 3.79Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 WeakPolarHBondContact O-CG1 3.4Å; I226-I230 PolarHBondContact O-N 3.4Å; F227-I230 PolarHBondContact O-N 3.47Å; Q228-I230 PolarHBondContact O-N 3.31Å; I230-K233 PolarHBondContact O-N 2.87Å; I230-Q234 WeakPolarHBondContact O-CB 3.5Å; I230-Q234 PolarHBondContact O-N 2.83Å; I230-Y235 HydrophobicContact CG2-CD2 3.67Å; I230-Y235 HydrophobicContact CG2-CE2 3.53Å
231	Y	98.7	Very high	98.6	Very high	22 Å²	22	59.9 Å²	59.9	9%	0.086	30%	0.3	C	S	.	.	I	π-helix	trans	-56.7	-55.4	176.9	175.1	-107.9	0	0	0	111.3	F197 F227 Q228 K233 Q234 Y235 K236 F239 Y246	F197-Y231 HydrophobicContact CD1-CD2 4.33Å; F197-Y231 AromaticContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CD2 3.74Å; F197-Y231 HydrophobicContact CE1-CG 4.25Å; F197-Y231 HydrophobicContact CZ-CD2 4.33Å; F197-Y231 HydrophobicContact CZ-CG 4.41Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.88Å; Q228-Y231 WeakPolarHBondContact O-CB 3.38Å; Q228-Y231 PolarHBondContact O-N 2.92Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 2.87Å; Y231-Q234 PolarHBondContact O-N 2.69Å; Y231-Y235 PolarHBondContact O-N 2.89Å; Y231-K236 HydrophobicContact CD1-CB 4.33Å; Y231-K236 HydrophobicContact CE1-CB 3.96Å; Y231-K236 HydrophobicContact CE1-CD 4.16Å; Y231-K236 HydrophobicContact CE1-CG 3.93Å; Y231-K236 HydrophobicContact CE2-CB 4.28Å; Y231-K236 WeakPolarHBondContact O-CB 3.45Å; Y231-K236 PolarHBondContact O-N 3.46Å; Y231-F239 HydrophobicContact CE2-CB 3.98Å; Y231-F239 AromaticContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD2 4.34Å; Y231-F239 AromaticContact CE2-CG 3.82Å; Y231-F239 HydrophobicContact CE2-CG 3.82Å; Y231-Y246 AromaticContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD2-CD1 4.01Å; Y231-Y246 HydrophobicContact CD2-CG 4.06Å; Y231-Y246 HydrophobicContact CE1-CD1 4.46Å; Y231-Y246 HydrophobicContact CE2-CG 4.48Å; Y231-Y246 AromaticContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CG 4.13Å
232	D	98.7	Very high	98.6	Very high	81 Å²	81	64 Å²	64	43%	0.433	32%	0.318	S	S	.	.	I	π-helix	trans	-63.1	-37.9	-175.7	-72.6	-35.7	0	0	0	112.2	Q228	Q228-D232 VanDerWaalsContact NE2-CG 3.3Å; Q228-D232 PolarHBondContact NE2-OD1 3.28Å; Q228-D232 PolarHBondContact NE2-OD2 2.84Å; Q228-D232 PolarHBondContact O-N 2.75Å
233	K	98.5	Very high	98.6	Very high	146 Å²	146	68 Å²	68	64%	0.635	34%	0.338	S	S	*	.	I	π-helix	trans	-77.9	-34.2	-178.6	-72.9	179.5	178.4	179.6	0	114	E229 I230 Y231	E229-K233 HydrophobicContact CG-CD 3.93Å; E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 2.7Å; E229-K233 WeakPolarHBondContact OE1-CE 3.33Å; E229-K233 IonicContact OE1-NZ 3.98Å; E229-K233 PolarHBondContact OE1-NZ 2.8Å; I230-K233 PolarHBondContact O-N 2.87Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 2.87Å
234	Q	98.1	Very high	98.6	Very high	97 Å²	97	68.6 Å²	68.6	45%	0.453	34%	0.341	S	S	.	.	I	π-helix	trans	-129.1	-31.1	-163.1	-57.6	-173	44.7	0	0	115.2	H194 I230 Y231 Q238	H194-Q234 PolarHBondContact CE1-OE1 2.86Å; I230-Q234 WeakPolarHBondContact O-CB 3.5Å; I230-Q234 PolarHBondContact O-N 2.83Å; Y231-Q234 PolarHBondContact O-N 2.69Å; Q234-Q238 PolarHBondContact O-NE2 3.12Å
235	Y	98.4	Very high	98.6	Very high	14 Å²	14	71.1 Å²	71.1	6%	0.055	35%	0.349	C	S	.	.	I	π-helix	trans	-113.6	-22.9	-168.3	-68.9	-81.7	0	0	0	114.5	H194 F197 Q198 L201 I230 Y231 S237 Q238 F239	H194-Y235 AromaticContact CE1-CE2 3.91Å; H194-Y235 AromaticContact ND1-CE2 3.41Å; H194-Y235 WeakPolarHBondContact ND1-CE2 3.42Å; H194-Y235 AromaticContact ND1-CZ 3.58Å; H194-Y235 PolarHBondContact ND1-OH 2.85Å; F197-Y235 HydrophobicContact CB-CD1 3.58Å; F197-Y235 HydrophobicContact CB-CD2 3.89Å; F197-Y235 HydrophobicContact CB-CE1 3.61Å; F197-Y235 HydrophobicContact CB-CE2 3.92Å; F197-Y235 HydrophobicContact CB-CG 3.7Å; F197-Y235 HydrophobicContact CD1-CG 4.37Å; F197-Y235 AromaticContact CD2-CD2 3.61Å; F197-Y235 HydrophobicContact CD2-CD2 3.61Å; F197-Y235 AromaticContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CE2 3.78Å; F197-Y235 HydrophobicContact CD2-CG 4.16Å; F197-Y235 HydrophobicContact CE2-CD2 4.34Å; F197-Y235 HydrophobicContact CG-CD1 4.26Å; F197-Y235 AromaticContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CD2 3.8Å; F197-Y235 HydrophobicContact CG-CE2 4.13Å; F197-Y235 AromaticContact CG-CG 3.85Å; F197-Y235 HydrophobicContact CG-CG 3.85Å; Q198-Y235 HydrophobicContact CG-CE1 4.29Å; L201-Y235 HydrophobicContact CD1-CD1 3.73Å; L201-Y235 HydrophobicContact CD1-CE1 4.07Å; I230-Y235 HydrophobicContact CG2-CD2 3.67Å; I230-Y235 HydrophobicContact CG2-CE2 3.53Å; Y231-Y235 PolarHBondContact O-N 2.89Å; Y235-S237 PolarHBondContact O-N 3.31Å; Y235-Q238 WeakPolarHBondContact O-CB 3.28Å; Y235-Q238 PolarHBondContact O-N 2.84Å; Y235-F239 HydrophobicContact CD1-CE2 4.39Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.13Å
236	K	98.7	Very high	98.6	Very high	86 Å²	86	68 Å²	68	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-50.9	-49.7	-174.6	-177.9	171.9	-178.5	173.5	0	113.6	Y231 Q238 F239 E240	Y231-K236 HydrophobicContact CD1-CB 4.33Å; Y231-K236 HydrophobicContact CE1-CB 3.96Å; Y231-K236 HydrophobicContact CE1-CD 4.16Å; Y231-K236 HydrophobicContact CE1-CG 3.93Å; Y231-K236 HydrophobicContact CE2-CB 4.28Å; Y231-K236 WeakPolarHBondContact O-CB 3.45Å; Y231-K236 PolarHBondContact O-N 3.46Å; K236-Q238 VanDerWaalsContact C-N 3.31Å; K236-Q238 PolarHBondContact O-N 3.22Å; K236-F239 PolarHBondContact O-N 3.16Å; K236-E240 WeakPolarHBondContact CE-OE1 3.34Å; K236-E240 HydrophobicContact CG-CG 4.47Å; K236-E240 WeakPolarHBondContact CG-OE1 3.34Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.46Å
237	S	98.6	Very high	98.5	Very high	82 Å²	82	70.7 Å²	70.7	57%	0.573	34%	0.344	S	S	*	.	H	α-helix	trans	-63.3	-35.4	179.3	56.5	0	0	0	0	113.3	Y235 A241	Y235-S237 PolarHBondContact O-N 3.31Å; S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 3.01Å
238	Q	98.5	Very high	98.5	Very high	89 Å²	89	72.6 Å²	72.6	42%	0.416	35%	0.352	S	S	.	.	H	α-helix	trans	-71.3	-39.2	178.1	-57.5	178.5	63.9	0	0	111.3	L201 Q234 Y235 K236 Q242	L201-Q238 HydrophobicContact CD1-CB 4.07Å; L201-Q238 HydrophobicContact CD2-CB 3.74Å; Q234-Q238 PolarHBondContact O-NE2 3.12Å; Y235-Q238 WeakPolarHBondContact O-CB 3.28Å; Y235-Q238 PolarHBondContact O-N 2.84Å; K236-Q238 VanDerWaalsContact C-N 3.31Å; K236-Q238 PolarHBondContact O-N 3.22Å; Q238-Q242 PolarHBondContact O-N 2.77Å
239	F	98.7	Very high	98.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-47.9	175.9	-88.8	-120.7	0	0	0	111.3	F197 A200 L201 L207 Y231 Y235 K236 A241 Q242 K243 I244	F197-F239 HydrophobicContact CB-CE2 4.22Å; F197-F239 HydrophobicContact CB-CZ 4.36Å; F197-F239 HydrophobicContact CD1-CE1 4.34Å; F197-F239 AromaticContact CD1-CE2 3.89Å; F197-F239 HydrophobicContact CD1-CE2 3.89Å; F197-F239 AromaticContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CD1-CZ 3.58Å; F197-F239 HydrophobicContact CE1-CZ 4.43Å; F197-F239 HydrophobicContact CG-CZ 4.45Å; A200-F239 HydrophobicContact CB-CE1 4.16Å; A200-F239 HydrophobicContact CB-CZ 3.64Å; L201-F239 HydrophobicContact CD1-CD2 4.5Å; L201-F239 HydrophobicContact CD1-CE2 4.19Å; L201-F239 HydrophobicContact CD2-CD2 3.76Å; L201-F239 HydrophobicContact CD2-CE2 3.93Å; L201-F239 HydrophobicContact CG-CD2 4.02Å; L201-F239 HydrophobicContact CG-CE2 3.67Å; L207-F239 HydrophobicContact CB-CE1 4.2Å; L207-F239 HydrophobicContact CB-CZ 4.46Å; Y231-F239 HydrophobicContact CE2-CB 3.98Å; Y231-F239 AromaticContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD1 3.91Å; Y231-F239 HydrophobicContact CE2-CD2 4.34Å; Y231-F239 AromaticContact CE2-CG 3.82Å; Y231-F239 HydrophobicContact CE2-CG 3.82Å; Y235-F239 HydrophobicContact CD1-CE2 4.39Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.13Å; K236-F239 PolarHBondContact O-N 3.16Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.9Å; F239-Q242 CarbonylContact O-C 3.55Å; F239-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 VanDerWaalsContact O-N 3.12Å; F239-K243 PolarHBondContact O-N 3.13Å; F239-I244 CarbonylContact C-O 3.58Å; F239-I244 HydrophobicContact CB-CG1 4.02Å; F239-I244 HydrophobicContact CD1-CB 4.47Å; F239-I244 HydrophobicContact CD1-CD1 3.85Å; F239-I244 HydrophobicContact CD1-CG1 3.69Å; F239-I244 HydrophobicContact CD2-CD1 4.39Å; F239-I244 HydrophobicContact CE1-CD1 4Å; F239-I244 HydrophobicContact CE1-CG1 4.29Å; F239-I244 HydrophobicContact CG-CD1 4.05Å; F239-I244 HydrophobicContact CG-CG1 3.89Å; F239-I244 HydrophobicContact CZ-CD1 4.31Å; F239-I244 WeakPolarHBondContact O-CG1 3.41Å; F239-I244 PolarHBondContact O-N 3.34Å
240	E	98.5	Very high	98.5	Very high	114 Å²	114	69.5 Å²	69.5	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-40.1	176.7	-72.9	173.7	176	0	0	111.7	K236 Q242 K243	K236-E240 WeakPolarHBondContact CE-OE1 3.34Å; K236-E240 HydrophobicContact CG-CG 4.47Å; K236-E240 WeakPolarHBondContact CG-OE1 3.34Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 WeakPolarHBondContact O-CG 3.25Å; K236-E240 PolarHBondContact O-N 3.46Å; E240-Q242 VanDerWaalsContact C-N 3.28Å; E240-Q242 PolarHBondContact O-N 2.97Å; E240-K243 PolarHBondContact O-N 2.94Å
241	A	98.5	Very high	98.5	Very high	85 Å²	85	70 Å²	70	70%	0.702	34%	0.34	S	S	*	.	H	α-helix	trans	-61.8	-32.9	176.1	0	0	0	0	0	113.3	S237 F239	S237-A241 WeakPolarHBondContact O-CB 3.41Å; S237-A241 PolarHBondContact O-N 3.01Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.9Å
242	Q	98.2	Very high	98.3	Very high	92 Å²	92	73.1 Å²	73.1	43%	0.43	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.3	175.5	-66.3	-168	22	0	0	113.7	L201 Q238 F239 E240 I244	L201-Q242 PolarHBondContact O-NE2 3.49Å; L201-Q242 PolarHBondContact O-OE1 3.1Å; Q238-Q242 PolarHBondContact O-N 2.77Å; F239-Q242 CarbonylContact O-C 3.55Å; F239-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 VanDerWaalsContact O-N 3.12Å; E240-Q242 VanDerWaalsContact C-N 3.28Å; E240-Q242 PolarHBondContact O-N 2.97Å; Q242-I244 HydrophobicContact CB-CD1 4.34Å; Q242-I244 HydrophobicContact CB-CG1 4.07Å; Q242-I244 PolarHBondContact O-N 2.87Å
243	K	98.4	Very high	98.3	Very high	189 Å²	189	72.8 Å²	72.8	82%	0.822	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.9	-176.2	-54.5	177.5	-179.8	178.1	0	113.4	F239 E240	F239-K243 PolarHBondContact O-N 3.13Å; E240-K243 PolarHBondContact O-N 2.94Å
244	I	98.5	Very high	98.2	Very high	14 Å²	14	65.9 Å²	65.9	7%	0.072	33%	0.327	C	S	.	.			trans	-111.8	167	171.6	59.5	173.2	0	0	0	109.7	L201 G204 W205 F239 Q242	L201-I244 HydrophobicContact CD2-CD1 4.28Å; G204-I244 VanDerWaalsContact O-CG2 3.32Å; G204-I244 WeakPolarHBondContact O-CG2 3.42Å; W205-I244 WeakPolarHBondContact O-CD1 3.23Å; F239-I244 CarbonylContact C-O 3.58Å; F239-I244 HydrophobicContact CB-CG1 4.02Å; F239-I244 HydrophobicContact CD1-CB 4.47Å; F239-I244 HydrophobicContact CD1-CD1 3.85Å; F239-I244 HydrophobicContact CD1-CG1 3.69Å; F239-I244 HydrophobicContact CD2-CD1 4.39Å; F239-I244 HydrophobicContact CE1-CD1 4Å; F239-I244 HydrophobicContact CE1-CG1 4.29Å; F239-I244 HydrophobicContact CG-CD1 4.05Å; F239-I244 HydrophobicContact CG-CG1 3.89Å; F239-I244 HydrophobicContact CZ-CD1 4.31Å; F239-I244 WeakPolarHBondContact O-CG1 3.41Å; F239-I244 PolarHBondContact O-N 3.34Å; Q242-I244 HydrophobicContact CB-CD1 4.34Å; Q242-I244 HydrophobicContact CB-CG1 4.07Å; Q242-I244 PolarHBondContact O-N 2.87Å
245	W	98.6	Very high	98.2	Very high	118 Å²	118	63.5 Å²	63.5	45%	0.447	32%	0.319	S	S	.	.			trans	-136.3	160.8	-178.1	64.5	98.7	0	0	0	111.6	P206 L207 Y208	P206-W245 VanDerWaalsContact CA-O 3.28Å; P206-W245 WeakPolarHBondContact CA-O 3.41Å; P206-W245 HydrophobicContact CB-CD2 3.73Å; P206-W245 HydrophobicContact CB-CE3 4.01Å; P206-W245 HydrophobicContact CB-CG 4.27Å; P206-W245 HydrophobicContact CB-CH2 4.08Å; P206-W245 HydrophobicContact CB-CZ2 3.82Å; P206-W245 HydrophobicContact CB-CZ3 4.17Å; P206-W245 HydrophobicContact CG-CH2 3.92Å; P206-W245 HydrophobicContact CG-CZ2 3.93Å; P206-W245 HydrophobicContact CG-CZ3 4.27Å; L207-W245 PolarHBondContact N-O 3.12Å; Y208-W245 AromaticContact CE1-NE1 3.94Å; Y208-W245 AromaticContact CZ-NE1 3.69Å; Y208-W245 WeakPolarHBondContact OH-CZ2 3.44Å; Y208-W245 PolarHBondContact OH-NE1 3.36Å
246	Y	98.7	Very high	98.1	Very high	16 Å²	16	64.9 Å²	64.9	6%	0.063	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.8	166.1	163.7	-112.6	0	0	0	109	F197 L207 L209 F227 Y231	F197-Y246 HydrophobicContact CE1-CD1 4.18Å; F197-Y246 AromaticContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CD2 3.69Å; F197-Y246 HydrophobicContact CE1-CE2 4.31Å; F197-Y246 AromaticContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CE1-CG 3.62Å; F197-Y246 HydrophobicContact CZ-CD1 4.28Å; F197-Y246 HydrophobicContact CZ-CD2 4.09Å; F197-Y246 HydrophobicContact CZ-CE1 4.46Å; F197-Y246 HydrophobicContact CZ-CE2 4.28Å; F197-Y246 HydrophobicContact CZ-CG 4.11Å; L207-Y246 HydrophobicContact CB-CD2 4.31Å; L207-Y246 HydrophobicContact CD2-CD2 3.95Å; L207-Y246 HydrophobicContact CD2-CE2 4.48Å; L207-Y246 HydrophobicContact CG-CD2 3.98Å; L207-Y246 WeakPolarHBondContact O-CA 3.38Å; L209-Y246 HydrophobicContact CB-CE2 3.88Å; F227-Y246 HydrophobicContact CB-CE2 4.47Å; F227-Y246 VanDerWaalsContact CB-OH 3.23Å; F227-Y246 WeakPolarHBondContact CB-OH 3.48Å; F227-Y246 AromaticContact CD1-CE2 3.97Å; F227-Y246 HydrophobicContact CD1-CE2 3.97Å; Y231-Y246 AromaticContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD1-CD1 3.87Å; Y231-Y246 HydrophobicContact CD2-CD1 4.01Å; Y231-Y246 HydrophobicContact CD2-CG 4.06Å; Y231-Y246 HydrophobicContact CE1-CD1 4.46Å; Y231-Y246 HydrophobicContact CE2-CG 4.48Å; Y231-Y246 AromaticContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CD1 3.6Å; Y231-Y246 HydrophobicContact CG-CG 4.13Å
247	E	98.4	Very high	98	Very high	63 Å²	63	64 Å²	64	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.7	174.5	-169.9	-177.2	164.3	0	0	110.8	L207 Y208 L209 R249	L207-E247 PolarHBondContact O-N 2.65Å; Y208-E247 VanDerWaalsContact CA-O 3.27Å; Y208-E247 WeakPolarHBondContact CA-O 3.43Å; Y208-E247 HydrophobicContact CD1-CB 3.84Å; Y208-E247 HydrophobicContact CE1-CB 3.89Å; Y208-E247 HydrophobicContact CE1-CG 4.5Å; Y208-E247 WeakPolarHBondContact CE1-OE2 3.37Å; L209-E247 PolarHBondContact N-O 3.15Å; E247-R249 VanDerWaalsContact CD-NE 3.25Å; E247-R249 HydrophobicContact CG-CG 4.17Å; E247-R249 IonicContact OE1-CZ 2.75Å; E247-R249 IonicContact OE1-NE 2.72Å; E247-R249 PolarHBondContact OE1-NE 3Å; E247-R249 IonicContact OE1-NH2 2.86Å; E247-R249 PolarHBondContact OE1-NH2 3.06Å; E247-R249 IonicContact OE2-CZ 2.96Å; E247-R249 IonicContact OE2-NE 3.6Å; E247-R249 PolarHBondContact OE2-NE 2.97Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 2.8Å
248	H	98.5	Very high	98	Very high	39 Å²	39	60.2 Å²	60.2	18%	0.181	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.7	163.9	171.4	-93.1	0	0	0	109.8	L209 T211 N213 K224	L209-H248 CarbonylContact O-C 3.57Å; L209-H248 WeakPolarHBondContact O-CA 3.38Å; L209-H248 PolarHBondContact O-CD2 2.99Å; T211-H248 PolarHBondContact OG1-NE2 3.41Å; N213-H248 PolarHBondContact OD1-CE1 2.76Å; K224-H248 HydrophobicContact CG-CB 4.08Å
249	R	98.2	Very high	97.9	Very high	48 Å²	48	60.8 Å²	60.8	18%	0.181	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.5	174.7	-72.4	-173.6	173.4	-111.9	-4	112.1	Y208 L209 S210 T211 E247 D253 M254	Y208-R249 HydrophobicContact CD1-CG 4.26Å; L209-R249 PolarHBondContact O-N 3.25Å; S210-R249 VanDerWaalsContact CA-O 3.25Å; S210-R249 WeakPolarHBondContact CA-O 3.37Å; T211-R249 PolarHBondContact N-O 3.07Å; T211-R249 VanDerWaalsContact N-O 3.14Å; E247-R249 VanDerWaalsContact CD-NE 3.25Å; E247-R249 HydrophobicContact CG-CG 4.17Å; E247-R249 IonicContact OE1-CZ 2.75Å; E247-R249 IonicContact OE1-NE 2.72Å; E247-R249 PolarHBondContact OE1-NE 3Å; E247-R249 IonicContact OE1-NH2 2.86Å; E247-R249 PolarHBondContact OE1-NH2 3.06Å; E247-R249 IonicContact OE2-CZ 2.96Å; E247-R249 IonicContact OE2-NE 3.6Å; E247-R249 PolarHBondContact OE2-NE 2.97Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 2.8Å; R249-D253 IonicContact CZ-OD2 3.16Å; R249-D253 IonicContact NH1-OD2 2.75Å; R249-D253 PolarHBondContact NH1-OD2 2.89Å; R249-M254 HydrophobicContact CB-CB 4.11Å; R249-M254 HydrophobicContact CB-SD 4.39Å
250	L	98.3	Very high	97.7	Very high	52 Å²	52	68.8 Å²	68.8	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.7	167.4	-62.4	179.1	0	0	0	109.6	T211 N213 T214 D252 D253 M254	T211-L250 CarbonylContact O-C 3.59Å; T211-L250 VanDerWaalsContact O-CA 3.25Å; T211-L250 WeakPolarHBondContact O-CA 3.11Å; N213-L250 WeakPolarHBondContact OD1-CD2 3.35Å; T214-L250 HydrophobicContact CG2-CD1 4.14Å; T214-L250 HydrophobicContact CG2-CD2 3.97Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 WeakPolarHBondContact CB-OD1 3.27Å; L250-D252 PolarHBondContact O-N 2.89Å; L250-D253 HydrophobicContact CB-CB 4.45Å; L250-D253 PolarHBondContact O-N 2.86Å; L250-D253 VanDerWaalsContact O-N 3.11Å; L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 PolarHBondContact O-N 2.93Å
251	I	97.7	Very high	97.7	Very high	22 Å²	22	64.3 Å²	64.3	11%	0.113	32%	0.323	C	S	.	.	H	α-helix	trans	-56	-39.9	-174.7	-177.7	65.2	0	0	0	113.3	S210 T211 K212 M254 V255 W267 D273	S210-I251 WeakPolarHBondContact OG-CD1 3.31Å; T211-I251 PolarHBondContact O-N 2.97Å; K212-I251 HydrophobicContact CB-CG2 4.24Å; K212-I251 HydrophobicContact CD-CG2 3.89Å; I251-M254 PolarHBondContact O-N 2.88Å; I251-V255 VanDerWaalsContact O-CG2 3.26Å; I251-V255 WeakPolarHBondContact O-CG2 3.37Å; I251-V255 PolarHBondContact O-N 2.95Å; I251-W267 HydrophobicContact CD1-CZ2 3.93Å; I251-D273 HydrophobicContact CD1-CB 4.03Å; I251-D273 HydrophobicContact CG1-CB 4.47Å
252	D	96	Very high	97.6	Very high	89 Å²	89	66 Å²	66	48%	0.476	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-40.9	176.8	52.7	-38.7	0	0	0	113.2	K212 L250 A256	K212-D252 IonicContact NZ-OD1 3.31Å; K212-D252 PolarHBondContact NZ-OD1 3.49Å; K212-D252 IonicContact NZ-OD2 3.23Å; K212-D252 PolarHBondContact NZ-OD2 3.09Å; L250-D252 VanDerWaalsContact C-N 3.28Å; L250-D252 WeakPolarHBondContact CB-OD1 3.27Å; L250-D252 PolarHBondContact O-N 2.89Å; D252-A256 PolarHBondContact O-N 2.6Å
253	D	97.3	Very high	97.5	Very high	74 Å²	74	62.2 Å²	62.2	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-42.3	172.6	-180	62.9	0	0	0	111	R249 L250 V255 A256 Q257	R249-D253 IonicContact CZ-OD2 3.16Å; R249-D253 IonicContact NH1-OD2 2.75Å; R249-D253 PolarHBondContact NH1-OD2 2.89Å; L250-D253 HydrophobicContact CB-CB 4.45Å; L250-D253 PolarHBondContact O-N 2.86Å; L250-D253 VanDerWaalsContact O-N 3.11Å; D253-V255 VanDerWaalsContact C-N 3.35Å; D253-V255 PolarHBondContact O-N 3.47Å; D253-A256 PolarHBondContact O-N 3.01Å; D253-A256 VanDerWaalsContact O-N 3.15Å; D253-Q257 WeakPolarHBondContact O-CB 3.48Å; D253-Q257 PolarHBondContact O-N 2.85Å
254	M	98	Very high	97.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-37.1	-178.7	-169.3	59.5	-159.8	0	0	112.3	Y208 R249 L250 I251 Q257 A258 F265 W267	Y208-M254 HydrophobicContact CD1-CE 4.32Å; Y208-M254 HydrophobicContact CD1-SD 4.02Å; Y208-M254 HydrophobicContact CD2-CE 3.69Å; Y208-M254 HydrophobicContact CD2-SD 4.45Å; Y208-M254 HydrophobicContact CE2-CE 4.4Å; Y208-M254 HydrophobicContact CG-CE 3.64Å; Y208-M254 HydrophobicContact CG-SD 3.84Å; R249-M254 HydrophobicContact CB-CB 4.11Å; R249-M254 HydrophobicContact CB-SD 4.39Å; L250-M254 WeakPolarHBondContact O-CB 3.33Å; L250-M254 PolarHBondContact O-N 2.93Å; I251-M254 PolarHBondContact O-N 2.88Å; M254-Q257 PolarHBondContact O-N 2.9Å; M254-Q257 HydrophobicContact SD-CB 4.48Å; M254-A258 VanDerWaalsContact O-CB 3.28Å; M254-A258 WeakPolarHBondContact O-CB 3.35Å; M254-A258 PolarHBondContact O-N 3.4Å; M254-F265 HydrophobicContact CE-CD2 3.75Å; M254-F265 HydrophobicContact CE-CE2 3.25Å; M254-F265 HydrophobicContact CE-CZ 3.83Å; M254-W267 HydrophobicContact CB-CZ2 4.11Å; M254-W267 HydrophobicContact CE-CD2 4.27Å; M254-W267 HydrophobicContact CE-CG 4.23Å; M254-W267 HydrophobicContact CG-CD2 4.12Å; M254-W267 VanDerWaalsContact CG-CE2 3.43Å; M254-W267 HydrophobicContact CG-CG 4.43Å; M254-W267 HydrophobicContact CG-CZ2 3.71Å; M254-W267 VanDerWaalsContact CG-NE1 3.32Å
255	V	97.6	Very high	97.5	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-47.9	171.6	169.5	0	0	0	0	110.5	I251 D253 Q257 A258 M259 W267	I251-V255 VanDerWaalsContact O-CG2 3.26Å; I251-V255 WeakPolarHBondContact O-CG2 3.37Å; I251-V255 PolarHBondContact O-N 2.95Å; D253-V255 VanDerWaalsContact C-N 3.35Å; D253-V255 PolarHBondContact O-N 3.47Å; V255-Q257 PolarHBondContact O-N 3.11Å; V255-A258 PolarHBondContact O-N 3.33Å; V255-M259 WeakPolarHBondContact O-CG 3.35Å; V255-M259 PolarHBondContact O-N 2.81Å; V255-W267 HydrophobicContact CB-CH2 4.47Å; V255-W267 HydrophobicContact CG2-CH2 3.82Å; V255-W267 HydrophobicContact CG2-CZ2 4.05Å
256	A	97	Very high	97.5	Very high	43 Å²	43	47.8 Å²	47.8	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-38.8	178.4	0	0	0	0	0	112.4	D252 D253 M259 K260	D252-A256 PolarHBondContact O-N 2.6Å; D253-A256 PolarHBondContact O-N 3.01Å; D253-A256 VanDerWaalsContact O-N 3.15Å; A256-M259 PolarHBondContact O-N 2.85Å; A256-K260 WeakPolarHBondContact O-CG 3.14Å; A256-K260 PolarHBondContact O-N 3.22Å
257	Q	96.6	Very high	97.5	Very high	67 Å²	67	47.1 Å²	47.1	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-42.9	177.5	-178.8	58.5	23.3	0	0	111.7	D253 M254 V255 M259 K260 S261	D253-Q257 WeakPolarHBondContact O-CB 3.48Å; D253-Q257 PolarHBondContact O-N 2.85Å; M254-Q257 PolarHBondContact O-N 2.9Å; M254-Q257 HydrophobicContact SD-CB 4.48Å; V255-Q257 PolarHBondContact O-N 3.11Å; Q257-M259 VanDerWaalsContact C-N 3.31Å; Q257-M259 PolarHBondContact O-N 3.18Å; Q257-K260 PolarHBondContact O-N 2.88Å; Q257-K260 VanDerWaalsContact O-N 3.15Å; Q257-S261 WeakPolarHBondContact O-CB 3.49Å; Q257-S261 PolarHBondContact O-N 3.16Å
258	A	97.6	Very high	97.5	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-48.3	175.5	0	0	0	0	0	110.2	W124 M254 V255 K260 S261 F265 W267	W124-A258 PolarHBondContact NE1-O 2.72Å; M254-A258 VanDerWaalsContact O-CB 3.28Å; M254-A258 WeakPolarHBondContact O-CB 3.35Å; M254-A258 PolarHBondContact O-N 3.4Å; V255-A258 PolarHBondContact O-N 3.33Å; A258-K260 VanDerWaalsContact C-N 3.26Å; A258-K260 PolarHBondContact O-N 3.06Å; A258-S261 PolarHBondContact O-N 2.85Å; A258-S261 VanDerWaalsContact O-N 3.15Å; A258-S261 PolarHBondContact O-OG 3.37Å; A258-F265 HydrophobicContact CB-CZ 3.93Å; A258-W267 HydrophobicContact CB-CE3 4.22Å; A258-W267 HydrophobicContact CB-CH2 4.21Å; A258-W267 HydrophobicContact CB-CZ3 3.72Å
259	M	96.3	Very high	97.5	Very high	101 Å²	101	42.2 Å²	42.2	50%	0.498	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-28.6	178.7	-67.2	-62.6	-66.9	0	0	114.3	V121 W124 V255 A256 Q257	V121-M259 HydrophobicContact CB-CE 4.47Å; V121-M259 HydrophobicContact CG1-CE 3.97Å; V121-M259 HydrophobicContact CG1-SD 4.23Å; V121-M259 HydrophobicContact CG2-CE 3.65Å; V121-M259 HydrophobicContact CG2-SD 3.89Å; W124-M259 HydrophobicContact CH2-SD 4.37Å; W124-M259 HydrophobicContact CZ2-SD 3.87Å; V255-M259 WeakPolarHBondContact O-CG 3.35Å; V255-M259 PolarHBondContact O-N 2.81Å; A256-M259 PolarHBondContact O-N 2.85Å; Q257-M259 VanDerWaalsContact C-N 3.31Å; Q257-M259 PolarHBondContact O-N 3.18Å
260	K	95.7	Very high	97.4	Very high	169 Å²	169	41 Å²	41	74%	0.735	22%	0.215	S	C	*	.	H	α-helix	trans	-89.4	-15.6	178.2	-68.2	172.6	-174.4	173.3	0	113.8	A256 Q257 A258	A256-K260 WeakPolarHBondContact O-CG 3.14Å; A256-K260 PolarHBondContact O-N 3.22Å; Q257-K260 PolarHBondContact O-N 2.88Å; Q257-K260 VanDerWaalsContact O-N 3.15Å; A258-K260 VanDerWaalsContact C-N 3.26Å; A258-K260 PolarHBondContact O-N 3.06Å
261	S	96.9	Very high	97.2	Very high	19 Å²	19	38.7 Å²	38.7	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	-78.2	170.3	-175.4	75.7	0	0	0	0	112.6	Q257 A258 G263 F265	Q257-S261 WeakPolarHBondContact O-CB 3.49Å; Q257-S261 PolarHBondContact O-N 3.16Å; A258-S261 PolarHBondContact O-N 2.85Å; A258-S261 VanDerWaalsContact O-N 3.15Å; A258-S261 PolarHBondContact O-OG 3.37Å; S261-G263 VanDerWaalsContact C-N 3.27Å; S261-G263 PolarHBondContact OG-N 3.38Å; S261-G263 VanDerWaalsContact OG-N 3.09Å; S261-F265 WeakPolarHBondContact OG-CE1 3.27Å
262	E	96.8	Very high	97.1	Very high	120 Å²	120	43 Å²	43	56%	0.561	22%	0.219	S	C	*	.			trans	-87.7	8.1	166.6	-62.4	-176.5	163.4	0	0	113.2	G123 V125 K126	G123-E262 WeakPolarHBondContact O-CA 3.28Å; V125-E262 PolarHBondContact N-O 2.91Å; K126-E262 PolarHBondContact N-O 3.42Å
263	G	96.7	Very high	97.2	Very high	13 Å²	13	40.4 Å²	40.4	13%	0.134	21%	0.205	C	C	.	.			trans	74.3	-157.5	-164.2	0	0	0	0	0	112.7	S261	S261-G263 VanDerWaalsContact C-N 3.27Å; S261-G263 PolarHBondContact OG-N 3.38Å; S261-G263 VanDerWaalsContact OG-N 3.09Å
264	G	97.4	Very high	97.1	Very high	9 Å²	9	36.9 Å²	36.9	9%	0.093	19%	0.186	C	C	.	.			trans	81.2	41.7	176.2	0	0	0	0	0	113.9	P127	P127-G264 WeakPolarHBondContact O-CA 3.24Å; P127-G264 PolarHBondContact O-N 3.43Å
265	F	98.4	Very high	96.8	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159.5	177.1	58.9	-89.5	0	0	0	111.2	I128 I129 P206 Y208 M254 A258 S261 W267	I128-F265 HydrophobicContact CB-CZ 4.4Å; I128-F265 HydrophobicContact CD1-CE1 3.92Å; I128-F265 HydrophobicContact CD1-CZ 3.65Å; I128-F265 HydrophobicContact CG1-CD1 4.38Å; I128-F265 HydrophobicContact CG1-CE1 3.69Å; I128-F265 HydrophobicContact CG1-CE2 4.31Å; I128-F265 HydrophobicContact CG1-CZ 3.66Å; I128-F265 HydrophobicContact CG2-CD2 4.26Å; I128-F265 HydrophobicContact CG2-CE2 3.68Å; I128-F265 HydrophobicContact CG2-CZ 3.84Å; I129-F265 PolarHBondContact N-O 2.99Å; I129-F265 VanDerWaalsContact N-O 3.12Å; P206-F265 HydrophobicContact CG-CB 3.96Å; P206-F265 WeakPolarHBondContact O-CA 3.32Å; P206-F265 WeakPolarHBondContact O-CB 3.38Å; Y208-F265 HydrophobicContact CD2-CB 3.92Å; Y208-F265 AromaticContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CD2 3.79Å; Y208-F265 HydrophobicContact CD2-CG 4.01Å; Y208-F265 HydrophobicContact CE2-CB 3.78Å; Y208-F265 HydrophobicContact CE2-CD2 4.26Å; Y208-F265 HydrophobicContact CE2-CG 4.02Å; M254-F265 HydrophobicContact CE-CD2 3.75Å; M254-F265 HydrophobicContact CE-CE2 3.25Å; M254-F265 HydrophobicContact CE-CZ 3.83Å; A258-F265 HydrophobicContact CB-CZ 3.93Å; S261-F265 WeakPolarHBondContact OG-CE1 3.27Å; F265-W267 HydrophobicContact CD2-CB 4.03Å; F265-W267 HydrophobicContact CE2-CB 3.83Å; F265-W267 HydrophobicContact CE2-CD2 4.36Å; F265-W267 HydrophobicContact CE2-CE3 4.21Å; F265-W267 HydrophobicContact CE2-CG 4.23Å
266	I	98.6	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.5	167.8	-45.3	-53.8	0	0	0	108	F108 I129 M199 A200 K203 W205 P206 L207 Y208	F108-I266 HydrophobicContact CE1-CG2 4.44Å; I129-I266 HydrophobicContact CB-CD1 3.68Å; I129-I266 HydrophobicContact CD1-CD1 3.66Å; I129-I266 HydrophobicContact CG1-CD1 4.07Å; I129-I266 HydrophobicContact CG2-CD1 4.16Å; I129-I266 CarbonylContact O-C 3.54Å; I129-I266 WeakPolarHBondContact O-CA 3.45Å; M199-I266 HydrophobicContact CG-CD1 3.82Å; M199-I266 HydrophobicContact CG-CG1 4.29Å; M199-I266 HydrophobicContact CG-CG2 4.43Å; A200-I266 HydrophobicContact CB-CG1 3.82Å; K203-I266 HydrophobicContact CB-CD1 4.42Å; K203-I266 HydrophobicContact CG-CD1 4.27Å; W205-I266 HydrophobicContact CE3-CD1 4.12Å; P206-I266 PolarHBondContact O-N 3.04Å; L207-I266 WeakPolarHBondContact CA-O 3.34Å; L207-I266 HydrophobicContact CD1-CB 3.66Å; L207-I266 HydrophobicContact CD1-CG2 3.6Å; Y208-I266 PolarHBondContact N-O 3.48Å
267	W	98.7	Very high	96.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	98.7	178.8	-169.8	-0.2	0	0	0	109.6	I128 I129 I130 G131 Y208 S210 I251 M254 V255 A258 F265 C269 Q277 V281	I128-W267 HydrophobicContact CG2-CB 4.4Å; I128-W267 HydrophobicContact CG2-CE3 4.31Å; I129-W267 PolarHBondContact O-N 2.85Å; I130-W267 CarbonylContact C-O 3.59Å; I130-W267 WeakPolarHBondContact CA-O 3.4Å; I130-W267 HydrophobicContact CD1-CB 3.77Å; I130-W267 HydrophobicContact CD1-CD2 3.83Å; I130-W267 HydrophobicContact CD1-CE3 3.41Å; I130-W267 VanDerWaalsContact CD1-CE3 3.41Å; I130-W267 HydrophobicContact CD1-CG 4.03Å; I130-W267 HydrophobicContact CD1-CZ3 4.21Å; G131-W267 PolarHBondContact N-O 2.99Å; Y208-W267 CarbonylContact O-C 3.57Å; S210-W267 PolarHBondContact OG-NE1 2.77Å; I251-W267 HydrophobicContact CD1-CZ2 3.93Å; M254-W267 HydrophobicContact CB-CZ2 4.11Å; M254-W267 HydrophobicContact CE-CD2 4.27Å; M254-W267 HydrophobicContact CE-CG 4.23Å; M254-W267 HydrophobicContact CG-CD2 4.12Å; M254-W267 VanDerWaalsContact CG-CE2 3.43Å; M254-W267 HydrophobicContact CG-CG 4.43Å; M254-W267 HydrophobicContact CG-CZ2 3.71Å; M254-W267 VanDerWaalsContact CG-NE1 3.32Å; V255-W267 HydrophobicContact CB-CH2 4.47Å; V255-W267 HydrophobicContact CG2-CH2 3.82Å; V255-W267 HydrophobicContact CG2-CZ2 4.05Å; A258-W267 HydrophobicContact CB-CE3 4.22Å; A258-W267 HydrophobicContact CB-CH2 4.21Å; A258-W267 HydrophobicContact CB-CZ3 3.72Å; F265-W267 HydrophobicContact CD2-CB 4.03Å; F265-W267 HydrophobicContact CE2-CB 3.83Å; F265-W267 HydrophobicContact CE2-CD2 4.36Å; F265-W267 HydrophobicContact CE2-CE3 4.21Å; F265-W267 HydrophobicContact CE2-CG 4.23Å; W267-C269 PolarHBondContact NE1-SG 3.32Å; W267-Q277 HydrophobicContact CH2-CB 4.2Å; W267-Q277 HydrophobicContact CH2-CG 3.88Å; W267-Q277 HydrophobicContact CZ2-CG 4.18Å; W267-Q277 HydrophobicContact CZ3-CB 4.3Å; W267-Q277 HydrophobicContact CZ3-CG 4.47Å; W267-V281 HydrophobicContact CZ3-CG2 4.46Å
268	A	98.6	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.2	174.9	0	0	0	0	0	110.2	G131 F192 L207 Y208 L209 S210 F227	G131-A268 CarbonylContact O-C 3.5Å; G131-A268 WeakPolarHBondContact O-CA 2.94Å; F192-A268 HydrophobicContact CE1-CB 4.25Å; F192-A268 HydrophobicContact CE2-CB 4.07Å; F192-A268 HydrophobicContact CZ-CB 3.53Å; L207-A268 HydrophobicContact CD1-CB 3.97Å; Y208-A268 PolarHBondContact O-N 2.82Å; L209-A268 HydrophobicContact CB-CB 4.48Å; L209-A268 HydrophobicContact CD1-CB 4.15Å; S210-A268 PolarHBondContact N-O 3.43Å; F227-A268 HydrophobicContact CE1-CB 4.12Å; F227-A268 HydrophobicContact CZ-CB 4.34Å
269	C	98.5	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.9	-179.1	-63.7	0	0	0	0	111.3	G131 H133 F192 W267 D273 G274	G131-C269 PolarHBondContact O-N 2.91Å; H133-C269 PolarHBondContact N-O 3.14Å; F192-C269 WeakPolarHBondContact CZ-O 3.34Å; W267-C269 PolarHBondContact NE1-SG 3.32Å; C269-D273 HydrophobicContact CB-CB 4.06Å; C269-G274 VanDerWaalsContact CB-N 3.29Å
270	K	96.9	Very high	96.1	Very high	21 Å²	21	36.2 Å²	36.2	9%	0.091	18%	0.184	C	C	.	.			trans	-58.6	169.9	163.8	-68.6	-163.1	-56.9	170.9	0	111.1	T211 D220 F223 Y272 D273 G274	T211-K270 HydrophobicContact CG2-CG 4.35Å; D220-K270 VanDerWaalsContact CG-NZ 3.3Å; D220-K270 WeakPolarHBondContact OD1-CE 3.4Å; D220-K270 IonicContact OD1-NZ 2.94Å; D220-K270 PolarHBondContact OD1-NZ 3.45Å; D220-K270 WeakPolarHBondContact OD2-CE 3.35Å; D220-K270 IonicContact OD2-NZ 3.04Å; D220-K270 PolarHBondContact OD2-NZ 3.24Å; D220-K270 VanDerWaalsContact OD2-NZ 3.08Å; F223-K270 HydrophobicContact CE1-CG 4.29Å; F223-K270 HydrophobicContact CZ-CG 4.44Å; K270-Y272 PolarHBondContact O-N 2.83Å; K270-D273 PolarHBondContact O-N 2.91Å; K270-G274 PolarHBondContact O-N 3.4Å
271	N	94.7	Very high	96.1	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-51.5	-166	-161.1	-11.5	0	0	0	113.4	R132 H133 G136 D137 Y139 D275	R132-N271 PolarHBondContact NE-O 2.68Å; R132-N271 VanDerWaalsContact NE-O 3.17Å; R132-N271 PolarHBondContact NE-OD1 2.95Å; R132-N271 PolarHBondContact NH2-OD1 3.38Å; H133-N271 WeakPolarHBondContact O-CA 3.18Å; H133-N271 WeakPolarHBondContact O-CB 3.07Å; G136-N271 PolarHBondContact O-ND2 3.38Å; D137-N271 HydrophobicContact CB-CB 3.91Å; D137-N271 WeakPolarHBondContact OD2-CB 3.24Å; D137-N271 PolarHBondContact OD2-N 3.1Å; Y139-N271 HydrophobicContact CD2-CB 3.98Å; Y139-N271 VanDerWaalsContact CD2-ND2 3.33Å; Y139-N271 WeakPolarHBondContact CD2-ND2 3.36Å; Y139-N271 HydrophobicContact CE2-CB 4.29Å; N271-D275 PolarHBondContact O-N 3.1Å; N271-D275 VanDerWaalsContact O-N 3.1Å
272	Y	95.1	Very high	95.8	Very high	111 Å²	111	27.4 Å²	27.4	44%	0.435	14%	0.144	S	C	.	.	H	α-helix	trans	-71.3	-46	-179.1	-177.8	-109.6	0	0	0	113	Q138 Y139 K270 G274 D275 V276	Q138-Y272 VanDerWaalsContact CD-CD2 3.45Å; Q138-Y272 HydrophobicContact CG-CD2 4.49Å; Q138-Y272 VanDerWaalsContact OE1-CB 3.3Å; Q138-Y272 VanDerWaalsContact OE1-CG 3.24Å; Y139-Y272 HydrophobicContact CE2-CD2 4.23Å; K270-Y272 PolarHBondContact O-N 2.83Å; Y272-G274 VanDerWaalsContact C-N 3.26Å; Y272-G274 PolarHBondContact O-N 3.39Å; Y272-D275 WeakPolarHBondContact O-CB 3.39Å; Y272-D275 PolarHBondContact O-N 2.87Å; Y272-D275 VanDerWaalsContact O-N 3.08Å; Y272-V276 HydrophobicContact CD1-CG2 4.41Å; Y272-V276 HydrophobicContact CD2-CG2 4.26Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 3.83Å; Y272-V276 PolarHBondContact O-N 3.38Å
273	D	97.2	Very high	95.6	Very high	35 Å²	35	25.4 Å²	25.4	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-42.2	177.7	-61.8	-47.1	0	0	0	110.5	I251 C269 K270 D275 V276 Q277	I251-D273 HydrophobicContact CD1-CB 4.03Å; I251-D273 HydrophobicContact CG1-CB 4.47Å; C269-D273 HydrophobicContact CB-CB 4.06Å; K270-D273 PolarHBondContact O-N 2.91Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 2.98Å; D273-V276 PolarHBondContact O-N 2.98Å; D273-Q277 WeakPolarHBondContact O-CB 3.39Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 2.82Å
274	G	95.9	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.1	-32.1	177.1	0	0	0	0	0	113	C269 K270 Y272 S278	C269-G274 VanDerWaalsContact CB-N 3.29Å; K270-G274 PolarHBondContact O-N 3.4Å; Y272-G274 VanDerWaalsContact C-N 3.26Å; Y272-G274 PolarHBondContact O-N 3.39Å; G274-S278 WeakPolarHBondContact O-CB 2.97Å; G274-S278 PolarHBondContact O-N 2.88Å; G274-S278 PolarHBondContact O-OG 2.79Å
275	D	92.2	Very high	95.2	Very high	39 Å²	39	25.2 Å²	25.2	21%	0.209	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-58.4	172.8	-148.3	5.4	0	0	0	110.1	R132 Y139 N271 Y272 D273 S278 D279	R132-D275 IonicContact CZ-OD1 3.61Å; R132-D275 IonicContact CZ-OD2 3.41Å; R132-D275 IonicContact NH1-OD1 3.88Å; R132-D275 PolarHBondContact NH1-OD1 2.67Å; R132-D275 IonicContact NH1-OD2 3.4Å; R132-D275 PolarHBondContact NH1-OD2 2.86Å; R132-D275 VanDerWaalsContact NH2-CG 3.32Å; R132-D275 IonicContact NH2-OD1 3.18Å; R132-D275 IonicContact NH2-OD2 2.78Å; R132-D275 PolarHBondContact NH2-OD2 3.46Å; Y139-D275 WeakPolarHBondContact CE1-OD2 3.42Å; Y139-D275 VanDerWaalsContact CZ-OD2 3.25Å; Y139-D275 WeakPolarHBondContact OH-CB 3.49Å; Y139-D275 VanDerWaalsContact OH-CG 3.31Å; Y139-D275 PolarHBondContact OH-OD2 3.3Å; N271-D275 PolarHBondContact O-N 3.1Å; N271-D275 VanDerWaalsContact O-N 3.1Å; Y272-D275 WeakPolarHBondContact O-CB 3.39Å; Y272-D275 PolarHBondContact O-N 2.87Å; Y272-D275 VanDerWaalsContact O-N 3.08Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 2.98Å; D275-S278 PolarHBondContact O-N 3.47Å; D275-S278 PolarHBondContact O-OG 3.28Å; D275-D279 PolarHBondContact O-N 2.91Å
276	V	94.3	Very high	94.7	Very high	56 Å²	56	25 Å²	25	34%	0.339	13%	0.129	S	C	.	.	H	α-helix	trans	-67.3	-45.7	-174.5	177.6	0	0	0	0	112.6	Y272 D273 S278 D279 S280	Y272-V276 HydrophobicContact CD1-CG2 4.41Å; Y272-V276 HydrophobicContact CD2-CG2 4.26Å; Y272-V276 HydrophobicContact CE1-CG2 3.99Å; Y272-V276 HydrophobicContact CE2-CG2 3.83Å; Y272-V276 PolarHBondContact O-N 3.38Å; D273-V276 PolarHBondContact O-N 2.98Å; V276-S278 VanDerWaalsContact C-N 3.32Å; V276-S278 PolarHBondContact O-N 3.35Å; V276-D279 PolarHBondContact O-N 3.24Å; V276-S280 PolarHBondContact O-N 2.89Å; V276-S280 VanDerWaalsContact O-N 3.1Å; V276-S280 PolarHBondContact O-OG 2.84Å
277	Q	95.8	Very high	94.1	Very high	35 Å²	35	25.6 Å²	25.6	16%	0.164	13%	0.133	C	C	.	.	H	α-helix	trans	-70.3	-30.8	-177.3	-63.9	-55.1	-41.5	0	0	111.6	W267 D273 S280 V281	W267-Q277 HydrophobicContact CH2-CB 4.2Å; W267-Q277 HydrophobicContact CH2-CG 3.88Å; W267-Q277 HydrophobicContact CZ2-CG 4.18Å; W267-Q277 HydrophobicContact CZ3-CB 4.3Å; W267-Q277 HydrophobicContact CZ3-CG 4.47Å; D273-Q277 WeakPolarHBondContact O-CB 3.39Å; D273-Q277 WeakPolarHBondContact O-CG 3.23Å; D273-Q277 PolarHBondContact O-N 2.82Å; Q277-S280 PolarHBondContact O-N 3.15Å; Q277-V281 WeakPolarHBondContact O-CB 3.28Å; Q277-V281 VanDerWaalsContact O-CG2 3.27Å; Q277-V281 WeakPolarHBondContact O-CG2 3.47Å; Q277-V281 PolarHBondContact O-N 3.43Å
278	S	94.4	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-41.5	176.1	70.9	0	0	0	0	112.9	R109 G274 D275 V276 V281 A282	R109-S278 VanDerWaalsContact CD-OG 3.28Å; R109-S278 WeakPolarHBondContact CD-OG 3.47Å; R109-S278 PolarHBondContact NH1-OG 3.18Å; G274-S278 WeakPolarHBondContact O-CB 2.97Å; G274-S278 PolarHBondContact O-N 2.88Å; G274-S278 PolarHBondContact O-OG 2.79Å; D275-S278 PolarHBondContact O-N 3.47Å; D275-S278 PolarHBondContact O-OG 3.28Å; V276-S278 VanDerWaalsContact C-N 3.32Å; V276-S278 PolarHBondContact O-N 3.35Å; S278-V281 PolarHBondContact O-N 3.32Å; S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 2.97Å
279	D	92	Very high	92.8	Very high	60 Å²	60	28.6 Å²	28.6	32%	0.321	15%	0.151	S	C	.	.	H	α-helix	trans	-69.2	-37.6	175.6	-74.1	6.9	0	0	0	111.4	R109 D275 V276 A282 Q283	R109-D279 IonicContact NH1-OD1 3.86Å; R109-D279 PolarHBondContact NH1-OD1 3.2Å; D275-D279 PolarHBondContact O-N 2.91Å; V276-D279 PolarHBondContact O-N 3.24Å; D279-A282 PolarHBondContact O-N 3.31Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 PolarHBondContact O-N 3.29Å
280	S	94.3	Very high	92.5	Very high	57 Å²	57	28.9 Å²	28.9	40%	0.399	15%	0.152	S	C	.	.	H	α-helix	trans	-62.1	-44.1	174.9	-58.3	0	0	0	0	111.6	V276 Q277 G284	V276-S280 PolarHBondContact O-N 2.89Å; V276-S280 VanDerWaalsContact O-N 3.1Å; V276-S280 PolarHBondContact O-OG 2.84Å; Q277-S280 PolarHBondContact O-N 3.15Å; S280-G284 PolarHBondContact O-N 2.8Å
281	V	94.9	Very high	92.4	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-47.8	175.9	168.9	0	0	0	0	110.5	W124 I128 I130 W267 Q277 S278 Q283 G284 Y285	W124-V281 HydrophobicContact CH2-CB 4.41Å; W124-V281 HydrophobicContact CH2-CG2 3.93Å; W124-V281 HydrophobicContact CZ3-CB 4.34Å; W124-V281 HydrophobicContact CZ3-CG1 4.26Å; W124-V281 HydrophobicContact CZ3-CG2 4.33Å; I128-V281 HydrophobicContact CB-CG1 4Å; I128-V281 HydrophobicContact CG2-CG1 4.41Å; I128-V281 HydrophobicContact CG2-CG2 4.39Å; I130-V281 HydrophobicContact CD1-CG2 4.06Å; I130-V281 HydrophobicContact CG1-CB 4.49Å; I130-V281 HydrophobicContact CG1-CG2 4.29Å; W267-V281 HydrophobicContact CZ3-CG2 4.46Å; Q277-V281 WeakPolarHBondContact O-CB 3.28Å; Q277-V281 VanDerWaalsContact O-CG2 3.27Å; Q277-V281 WeakPolarHBondContact O-CG2 3.47Å; Q277-V281 PolarHBondContact O-N 3.43Å; S278-V281 PolarHBondContact O-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.89Å; V281-G284 WeakPolarHBondContact O-CA 3.46Å; V281-G284 PolarHBondContact O-N 2.87Å; V281-G284 VanDerWaalsContact O-N 3.1Å; V281-Y285 HydrophobicContact CG1-CD2 3.92Å; V281-Y285 HydrophobicContact CG1-CE2 3.67Å; V281-Y285 WeakPolarHBondContact O-CD2 3.39Å; V281-Y285 PolarHBondContact O-N 2.94Å; V281-Y285 VanDerWaalsContact O-N 3.09Å
282	A	91.5	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-49.1	178.2	0	0	0	0	0	112	S278 D279 G284 Y285 G286 L288 M291	S278-A282 WeakPolarHBondContact O-CB 3.42Å; S278-A282 PolarHBondContact O-N 2.97Å; D279-A282 PolarHBondContact O-N 3.31Å; A282-G284 VanDerWaalsContact C-N 3.31Å; A282-G284 PolarHBondContact O-N 2.95Å; A282-Y285 PolarHBondContact O-N 3.47Å; A282-G286 PolarHBondContact O-N 3.4Å; A282-L288 HydrophobicContact CB-CG 4.33Å; A282-M291 HydrophobicContact CB-CB 4.19Å; A282-M291 HydrophobicContact CB-CE 3.66Å; A282-M291 HydrophobicContact CB-CG 4.49Å; A282-M291 HydrophobicContact CB-SD 3.55Å; A282-M291 VanDerWaalsContact CB-SD 3.55Å
283	Q	90.9	Very high	92.5	Very high	78 Å²	78	23 Å²	23	36%	0.364	13%	0.129	S	C	.	.	H	α-helix	trans	-66.2	-35.1	177.7	-168.2	50.7	72.5	0	0	111.9	L120 D279 V281 Y285 G286 L288	L120-Q283 HydrophobicContact CD1-CG 3.93Å; L120-Q283 WeakPolarHBondContact CD1-O 3.39Å; D279-Q283 WeakPolarHBondContact O-CB 3.41Å; D279-Q283 PolarHBondContact O-N 3.29Å; V281-Q283 PolarHBondContact O-N 2.89Å; Q283-Y285 VanDerWaalsContact C-N 3.25Å; Q283-Y285 PolarHBondContact O-N 2.9Å; Q283-G286 PolarHBondContact NE2-O 3.26Å; Q283-G286 WeakPolarHBondContact O-CA 3.37Å; Q283-G286 PolarHBondContact O-N 3.48Å; Q283-L288 HydrophobicContact CB-CD1 3.7Å; Q283-L288 HydrophobicContact CG-CD1 4.2Å
284	G	93.4	Very high	92.5	Very high	4 Å²	4	22.4 Å²	22.4	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-33.6	174.8	0	0	0	0	0	113.5	R119 L120 V121 S280 V281 A282 G286	R119-G284 CarbonylContact C-O 3.59Å; L120-G284 PolarHBondContact N-O 2.97Å; V121-G284 PolarHBondContact N-O 3.18Å; S280-G284 PolarHBondContact O-N 2.8Å; V281-G284 WeakPolarHBondContact O-CA 3.46Å; V281-G284 PolarHBondContact O-N 2.87Å; V281-G284 VanDerWaalsContact O-N 3.1Å; A282-G284 VanDerWaalsContact C-N 3.31Å; A282-G284 PolarHBondContact O-N 2.95Å; G284-G286 VanDerWaalsContact C-N 3.34Å
285	Y	92.4	Very high	92.5	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.055	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.8	172.2	-74.5	-75.5	0	0	0	114.6	A111 I113 R119 W124 K126 P127 I128 V281 A282 Q283	A111-Y285 HydrophobicContact CB-CD1 4.38Å; A111-Y285 HydrophobicContact CB-CD2 3.26Å; A111-Y285 HydrophobicContact CB-CE2 3.81Å; A111-Y285 HydrophobicContact CB-CG 3.62Å; I113-Y285 HydrophobicContact CD1-CD1 4.13Å; I113-Y285 HydrophobicContact CD1-CE1 3.83Å; I113-Y285 HydrophobicContact CG1-CD1 3.96Å; I113-Y285 HydrophobicContact CG1-CE1 4.19Å; R119-Y285 HydrophobicContact CG-CD1 4.35Å; W124-Y285 HydrophobicContact CB-CE1 3.7Å; W124-Y285 HydrophobicContact CD2-CE2 4.31Å; W124-Y285 AromaticContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CD2 3.87Å; W124-Y285 HydrophobicContact CE3-CE1 4.25Å; W124-Y285 AromaticContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CE2 3.51Å; W124-Y285 HydrophobicContact CE3-CG 4.36Å; W124-Y285 AromaticContact CE3-CZ 3.69Å; W124-Y285 HydrophobicContact CZ3-CD2 4.17Å; W124-Y285 AromaticContact CZ3-CE2 3.99Å; W124-Y285 HydrophobicContact CZ3-CE2 3.99Å; K126-Y285 PolarHBondContact O-OH 2.92Å; P127-Y285 VanDerWaalsContact CA-OH 3.3Å; P127-Y285 WeakPolarHBondContact CA-OH 3.29Å; I128-Y285 PolarHBondContact N-OH 3.29Å; I128-Y285 VanDerWaalsContact N-OH 3.14Å; V281-Y285 HydrophobicContact CG1-CD2 3.92Å; V281-Y285 HydrophobicContact CG1-CE2 3.67Å; V281-Y285 WeakPolarHBondContact O-CD2 3.39Å; V281-Y285 PolarHBondContact O-N 2.94Å; V281-Y285 VanDerWaalsContact O-N 3.09Å; A282-Y285 PolarHBondContact O-N 3.47Å; Q283-Y285 VanDerWaalsContact C-N 3.25Å; Q283-Y285 PolarHBondContact O-N 2.9Å
286	G	87.7	Confident	92.7	Very high	4 Å²	4	22 Å²	22	4%	0.041	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	128.5	-39.9	169	0	0	0	0	0	114.5	A282 Q283 G284 C379	A282-G286 PolarHBondContact O-N 3.4Å; Q283-G286 PolarHBondContact NE2-O 3.26Å; Q283-G286 WeakPolarHBondContact O-CA 3.37Å; Q283-G286 PolarHBondContact O-N 3.48Å; G284-G286 VanDerWaalsContact C-N 3.34Å; G286-C379 PolarHBondContact O-SG 3.39Å
287	S	87.7	Confident	92.6	Very high	13 Å²	13	19.5 Å²	19.5	9%	0.091	11%	0.111	C	C	.	.			trans	-153.2	135.3	-176.8	177.3	0	0	0	0	112	G289 M290 D375	S287-G289 PolarHBondContact O-N 3.47Å; S287-G289 PolarHBondContact OG-N 2.8Å; S287-M290 PolarHBondContact O-N 2.87Å; S287-D375 PolarHBondContact OG-OD2 3.19Å
288	L	82.2	Confident	92.2	Very high	57 Å²	57	20.6 Å²	20.6	30%	0.298	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.9	170.9	-85.6	72	0	0	0	112.4	A282 Q283 M290	A282-L288 HydrophobicContact CB-CG 4.33Å; Q283-L288 HydrophobicContact CB-CD1 3.7Å; Q283-L288 HydrophobicContact CG-CD1 4.2Å; L288-M290 PolarHBondContact O-N 3.06Å
289	G	87.1	Confident	91.9	Very high	8 Å²	8	24.6 Å²	24.6	8%	0.082	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.8	177.8	0	0	0	0	0	114.1	S287 A331	S287-G289 PolarHBondContact O-N 3.47Å; S287-G289 PolarHBondContact OG-N 2.8Å; G289-A331 WeakPolarHBondContact O-CB 3.3Å; G289-A331 PolarHBondContact O-N 3.1Å
290	M	92.7	Very high	91.6	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.034	15%	0.146	C	C	.	.	S	Bend	trans	-106.9	51.4	-179.1	-61.1	-59.8	-66.9	0	0	110.4	I112 C114 S287 L288 I330 I367 L376	I112-M290 HydrophobicContact CB-CB 4.31Å; I112-M290 HydrophobicContact CB-CE 4.1Å; I112-M290 HydrophobicContact CG2-CE 3.73Å; I112-M290 PolarHBondContact N-O 3.31Å; C114-M290 WeakPolarHBondContact SG-CE 3.3Å; S287-M290 PolarHBondContact O-N 2.87Å; L288-M290 PolarHBondContact O-N 3.06Å; M290-I330 HydrophobicContact CE-CG2 4.02Å; M290-I330 HydrophobicContact SD-CB 3.89Å; M290-I330 HydrophobicContact SD-CG1 4.06Å; M290-I330 HydrophobicContact SD-CG2 3.73Å; M290-I367 HydrophobicContact CE-CD1 3.7Å; M290-I367 HydrophobicContact SD-CD1 4.12Å; M290-L376 HydrophobicContact CG-CD2 3.7Å; M290-L376 HydrophobicContact SD-CD1 4.14Å; M290-L376 HydrophobicContact SD-CD2 4.09Å
291	M	94.4	Very high	91.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138	178.8	-177.4	165.7	67.3	0	0	110.8	R109 E110 A282 A308	R109-M291 HydrophobicContact CB-CE 4.32Å; R109-M291 HydrophobicContact CB-CG 4.24Å; R109-M291 HydrophobicContact CB-SD 3.7Å; R109-M291 HydrophobicContact CG-CE 4.15Å; R109-M291 HydrophobicContact CG-SD 4.16Å; E110-M291 WeakPolarHBondContact O-CA 3.42Å; A282-M291 HydrophobicContact CB-CB 4.19Å; A282-M291 HydrophobicContact CB-CE 3.66Å; A282-M291 HydrophobicContact CB-CG 4.49Å; A282-M291 HydrophobicContact CB-SD 3.55Å; A282-M291 VanDerWaalsContact CB-SD 3.55Å; M291-A308 HydrophobicContact CB-CB 4.07Å; M291-A308 HydrophobicContact CE-CB 3.72Å; M291-A308 HydrophobicContact CG-CB 4.24Å
292	T	96.1	Very high	91.7	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	150.7	170.1	66.5	0	0	0	0	110.3	R109 E110 I112 F334	R109-T292 VanDerWaalsContact CA-O 3.25Å; R109-T292 WeakPolarHBondContact CA-O 3.24Å; E110-T292 WeakPolarHBondContact CB-OG1 3.42Å; E110-T292 PolarHBondContact N-O 3.22Å; E110-T292 PolarHBondContact N-OG1 2.99Å; E110-T292 PolarHBondContact O-N 2.67Å; E110-T292 PolarHBondContact O-OG1 3.07Å; E110-T292 VanDerWaalsContact O-OG1 3.13Å; I112-T292 HydrophobicContact CD1-CG2 3.91Å; I112-T292 HydrophobicContact CG1-CG2 3.78Å; T292-F334 HydrophobicContact CG2-CB 3.98Å; T292-F334 HydrophobicContact CG2-CD1 3.48Å; T292-F334 VanDerWaalsContact CG2-CD1 3.48Å; T292-F334 HydrophobicContact CG2-CE1 4.36Å; T292-F334 HydrophobicContact CG2-CG 4.12Å
293	S	95.9	Very high	92	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	112.3	173.7	-173.5	0	0	0	0	108.9	F108 A305 E306	F108-S293 WeakPolarHBondContact O-CA 3.21Å; S293-A305 WeakPolarHBondContact O-CA 3.11Å; S293-E306 WeakPolarHBondContact CB-O 3.44Å; S293-E306 PolarHBondContact O-N 3.23Å
294	V	97	Very high	92.3	Very high	23 Å²	23	23.2 Å²	23.2	14%	0.139	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.9	-177.1	-175.4	0	0	0	0	109.7	F108 V296 V303 E304 A305 R338	F108-V294 PolarHBondContact N-O 3Å; F108-V294 PolarHBondContact O-N 3.47Å; V294-V296 HydrophobicContact CG1-CG2 4.14Å; V294-V303 HydrophobicContact CG1-CB 4.28Å; V294-E304 CarbonylContact C-O 3.43Å; V294-E304 WeakPolarHBondContact CA-O 3.39Å; V294-A305 HydrophobicContact CG2-CB 4.24Å; V294-R338 HydrophobicContact CG2-CB 3.88Å; V294-R338 HydrophobicContact CG2-CG 3.98Å
295	L	96.2	Very high	92.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.9	165.6	179.8	73.2	0	0	0	109.1	R100 L103 T106 V107 V303 E304	R100-L295 HydrophobicContact CG-CD1 4.3Å; R100-L295 HydrophobicContact CG-CD2 4.06Å; L103-L295 HydrophobicContact CB-CD2 3.88Å; L103-L295 HydrophobicContact CD1-CD2 3.77Å; L103-L295 HydrophobicContact CG-CD2 4.44Å; T106-L295 WeakPolarHBondContact O-CA 3.5Å; V107-L295 HydrophobicContact CG2-CB 4.36Å; V107-L295 HydrophobicContact CG2-CD1 3.63Å; L295-V303 VanDerWaalsContact O-CA 3.24Å; L295-V303 WeakPolarHBondContact O-CA 3.47Å; L295-E304 HydrophobicContact CB-CB 4.2Å; L295-E304 HydrophobicContact CD2-CB 4.34Å; L295-E304 PolarHBondContact N-O 2.87Å; L295-E304 PolarHBondContact O-N 3.47Å
296	V	95.8	Very high	92.6	Very high	29 Å²	29	22.6 Å²	22.6	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.9	173.6	-179.4	0	0	0	0	108.7	G105 T106 F108 V294 V303	G105-V296 CarbonylContact C-O 3.58Å; G105-V296 WeakPolarHBondContact CA-O 3.33Å; T106-V296 PolarHBondContact N-O 2.72Å; T106-V296 PolarHBondContact O-N 3.2Å; F108-V296 HydrophobicContact CD2-CB 4.21Å; F108-V296 HydrophobicContact CD2-CG2 3.79Å; F108-V296 HydrophobicContact CE2-CB 4.1Å; F108-V296 HydrophobicContact CE2-CG2 4.1Å; V294-V296 HydrophobicContact CG1-CG2 4.14Å; V296-V303 HydrophobicContact CG2-CG1 4.42Å
297	C	93.3	Very high	92.6	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.034	13%	0.132	C	C	.	.			trans	-77	156.7	179.3	-61.3	0	0	0	0	111.5	D299 G300 T302	C297-D299 WeakPolarHBondContact CB-OD1 3.13Å; C297-D299 PolarHBondContact O-N 3.44Å; C297-D299 VanDerWaalsContact O-N 3.13Å; C297-G300 PolarHBondContact O-N 2.91Å; C297-G300 VanDerWaalsContact O-N 3.1Å; C297-T302 HydrophobicContact CB-CG2 4.36Å; C297-T302 VanDerWaalsContact CB-O 3.26Å; C297-T302 WeakPolarHBondContact CB-O 3.44Å; C297-T302 PolarHBondContact N-O 3.22Å; C297-T302 VanDerWaalsContact SG-CG2 3.59Å; C297-T302 PolarHBondContact SG-O 3.44Å; C297-T302 VanDerWaalsContact SG-O 3.34Å
298	P	85.9	Confident	92.5	Very high	57 Å²	57	22.3 Å²	22.3	37%	0.37	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.7	-177.6	-20.8	33.7	0	0	0	114.6	D191 G300	D191-P298 HydrophobicContact CB-CB 3.9Å; D191-P298 HydrophobicContact CB-CG 3.72Å; D191-P298 WeakPolarHBondContact OD2-CG 3.49Å; P298-G300 PolarHBondContact O-N 3.42Å
299	D	89.6	Confident	92.5	Very high	85 Å²	85	21.3 Å²	21.3	46%	0.455	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.8	176.1	66.8	4.8	0	0	0	113.4	C297 K301 T302	C297-D299 WeakPolarHBondContact CB-OD1 3.13Å; C297-D299 PolarHBondContact O-N 3.44Å; C297-D299 VanDerWaalsContact O-N 3.13Å; D299-K301 PolarHBondContact O-N 3.31Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 PolarHBondContact OD1-N 3.27Å; D299-T302 PolarHBondContact OD1-N 3.35Å; D299-T302 WeakPolarHBondContact OD2-CB 3.3Å; D299-T302 PolarHBondContact OD2-OG1 2.84Å
300	G	85.1	Confident	92.5	Very high	38 Å²	38	23.3 Å²	23.3	39%	0.392	15%	0.146	S	C	.	.	S	Bend	trans	66.5	6.7	-177	0	0	0	0	0	114.5	C297 P298	C297-G300 PolarHBondContact O-N 2.91Å; C297-G300 VanDerWaalsContact O-N 3.1Å; P298-G300 PolarHBondContact O-N 3.42Å
301	K	93	Very high	92.5	Very high	123 Å²	123	23.7 Å²	23.7	54%	0.535	15%	0.148	S	C	.	.	S	Bend	trans	-120	-34.3	-175.5	-69	-177.7	-177	179.5	0	112.4	N68 D299 H342 L346	N68-K301 WeakPolarHBondContact CB-O 3.43Å; D299-K301 PolarHBondContact O-N 3.31Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 PolarHBondContact OD1-N 3.27Å; K301-H342 PolarHBondContact O-NE2 2.97Å; K301-L346 HydrophobicContact CB-CD2 4.46Å
302	T	97.4	Very high	92.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	16%	0.16	C	C	.	.			trans	-92.2	126.1	-176.6	-58	0	0	0	0	110.1	I64 N68 L103 C297 D299	I64-T302 HydrophobicContact CG2-CG2 3.62Å; N68-T302 CarbonylContact O-C 3.54Å; N68-T302 VanDerWaalsContact O-CA 3.3Å; N68-T302 WeakPolarHBondContact O-CA 3.42Å; N68-T302 PolarHBondContact OD1-OG1 3.48Å; L103-T302 HydrophobicContact CD2-CG2 4.32Å; C297-T302 HydrophobicContact CB-CG2 4.36Å; C297-T302 VanDerWaalsContact CB-O 3.26Å; C297-T302 WeakPolarHBondContact CB-O 3.44Å; C297-T302 PolarHBondContact N-O 3.22Å; C297-T302 VanDerWaalsContact SG-CG2 3.59Å; C297-T302 PolarHBondContact SG-O 3.44Å; C297-T302 VanDerWaalsContact SG-O 3.34Å; D299-T302 PolarHBondContact OD1-N 3.35Å; D299-T302 WeakPolarHBondContact OD2-CB 3.3Å; D299-T302 PolarHBondContact OD2-OG1 2.84Å
303	V	97.4	Very high	92.3	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.2	173.9	-55.5	0	0	0	0	111.4	N68 G70 V294 L295 V296 H342	N68-V303 PolarHBondContact O-N 2.91Å; G70-V303 PolarHBondContact N-O 3.3Å; V294-V303 HydrophobicContact CG1-CB 4.28Å; L295-V303 VanDerWaalsContact O-CA 3.24Å; L295-V303 WeakPolarHBondContact O-CA 3.47Å; V296-V303 HydrophobicContact CG2-CG1 4.42Å; V303-H342 HydrophobicContact CG2-CB 3.67Å; V303-H342 WeakPolarHBondContact CG2-CD2 3.37Å; V303-H342 VanDerWaalsContact CG2-CG 3.48Å
304	E	98	Very high	92.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.4	168.4	-176.8	-79.8	123.5	0	0	108	M13 I64 G70 K72 I99 L103 V294 L295 E306	M13-E304 HydrophobicContact CE-CG 3.97Å; I64-E304 HydrophobicContact CD1-CB 4.48Å; I64-E304 HydrophobicContact CD1-CG 4.06Å; G70-E304 WeakPolarHBondContact O-CA 3.35Å; K72-E304 WeakPolarHBondContact CB-OE1 3.28Å; I99-E304 HydrophobicContact CG2-CG 4.35Å; L103-E304 HydrophobicContact CD1-CB 4Å; V294-E304 CarbonylContact C-O 3.43Å; V294-E304 WeakPolarHBondContact CA-O 3.39Å; L295-E304 HydrophobicContact CB-CB 4.2Å; L295-E304 HydrophobicContact CD2-CB 4.34Å; L295-E304 PolarHBondContact N-O 2.87Å; L295-E304 PolarHBondContact O-N 3.47Å; E304-E306 WeakPolarHBondContact OE1-CB 3.3Å; E304-E306 PolarHBondContact OE1-N 3.4Å
305	A	97.7	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.4	180	0	0	0	0	0	110.2	G70 V71 K72 S293 V294 A335 R338	G70-A305 PolarHBondContact O-N 2.63Å; V71-A305 CarbonylContact C-O 3.51Å; V71-A305 WeakPolarHBondContact CA-O 3.34Å; K72-A305 PolarHBondContact N-O 2.71Å; S293-A305 WeakPolarHBondContact O-CA 3.11Å; V294-A305 HydrophobicContact CG2-CB 4.24Å; A305-A335 WeakPolarHBondContact CB-O 3.15Å; A305-R338 HydrophobicContact CB-CB 3.96Å
306	E	95	Very high	92.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.4	-177.2	65.7	177.3	156.7	0	0	112.9	K72 N96 R100 S293 E304	K72-E306 HydrophobicContact CB-CB 3.93Å; K72-E306 HydrophobicContact CG-CB 4.49Å; K72-E306 WeakPolarHBondContact O-CA 3.21Å; N96-E306 PolarHBondContact ND2-OE2 2.76Å; N96-E306 PolarHBondContact OD1-OE2 2.75Å; R100-E306 IonicContact CZ-OE1 2.75Å; R100-E306 IonicContact NE-OE1 2.99Å; R100-E306 IonicContact NH2-OE1 3.51Å; R100-E306 PolarHBondContact NH2-OE1 2.98Å; S293-E306 WeakPolarHBondContact CB-O 3.44Å; S293-E306 PolarHBondContact O-N 3.23Å; E304-E306 WeakPolarHBondContact OE1-CB 3.3Å; E304-E306 PolarHBondContact OE1-N 3.4Å
307	A	88.2	Confident	92.3	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	133.6	165.1	0	0	0	0	0	110.2	K72 H309 A331	K72-A307 PolarHBondContact O-N 3.16Å; A307-H309 PolarHBondContact O-N 3.28Å; A307-A331 HydrophobicContact CB-CB 4.42Å
308	A	83.8	Confident	92.5	Very high	9 Å²	9	46 Å²	46	7%	0.074	24%	0.238	C	C	.	.	S	Bend	trans	-73.1	-7.5	-178.3	0	0	0	0	0	114.6	R109 M291	R109-A308 PolarHBondContact NH2-O 3.47Å; M291-A308 HydrophobicContact CB-CB 4.07Å; M291-A308 HydrophobicContact CE-CB 3.72Å; M291-A308 HydrophobicContact CG-CB 4.24Å
309	H	83	Confident	93	Very high	35 Å²	35	47.8 Å²	47.8	16%	0.162	24%	0.238	C	C	.	.	S	Bend	trans	-115.4	169.4	-174.5	62.3	58.3	0	0	0	113	A74 A307	A74-H309 WeakPolarHBondContact CB-O 3.24Å; A307-H309 PolarHBondContact O-N 3.28Å
310	G	87.2	Confident	93.3	Very high	51 Å²	51	49.4 Å²	49.4	53%	0.526	24%	0.243	S	C	.	.			trans	-72.7	-169.5	175.6	0	0	0	0	0	114.9	V312	G310-V312 PolarHBondContact O-N 2.82Å
311	T	92.2	Very high	93.9	Very high	14 Å²	14	54.9 Å²	54.9	9%	0.086	26%	0.256	C	S	.	.			trans	-81.8	-5.7	-169.8	54	0	0	0	0	115.9	D16 E17 M18 T19 A74 I76	D16-T311 HydrophobicContact CB-CG2 3.98Å; E17-T311 VanDerWaalsContact OE2-CB 3.23Å; E17-T311 WeakPolarHBondContact OE2-CB 3.17Å; E17-T311 PolarHBondContact OE2-OG1 2.95Å; M18-T311 PolarHBondContact N-O 2.83Å; T19-T311 PolarHBondContact N-O 2.93Å; T19-T311 WeakPolarHBondContact OG1-CA 3.48Å; A74-T311 HydrophobicContact CB-CG2 4.07Å; I76-T311 HydrophobicContact CG1-CG2 4.09Å
312	V	92.6	Very high	94	Very high	43 Å²	43	52.6 Å²	52.6	26%	0.261	27%	0.267	S	S	.	.			trans	59.8	51.2	175.9	-159.1	0	0	0	0	113.3	M18 T19 G310 R314 H315 Y316 T327	M18-V312 HydrophobicContact CB-CB 4.16Å; T19-V312 HydrophobicContact CG2-CG2 4.05Å; G310-V312 PolarHBondContact O-N 2.82Å; V312-R314 VanDerWaalsContact C-N 3.28Å; V312-R314 PolarHBondContact O-N 3.19Å; V312-R314 VanDerWaalsContact O-N 3.15Å; V312-H315 HydrophobicContact CG1-CB 3.86Å; V312-H315 PolarHBondContact O-N 2.99Å; V312-H315 VanDerWaalsContact O-N 3.15Å; V312-Y316 PolarHBondContact O-N 2.87Å; V312-T327 HydrophobicContact CB-CG2 4.28Å; V312-T327 HydrophobicContact CG1-CG2 4.07Å; V312-T327 HydrophobicContact CG2-CG2 3.99Å
313	T	94	Very high	94	Very high	30 Å²	30	57.1 Å²	57.1	18%	0.184	29%	0.288	C	S	.	.	H	α-helix	trans	-47.4	-42.7	-180	-49	0	0	0	0	114.9	E17 R82 H315 Y316 R317	E17-T313 VanDerWaalsContact CD-OG1 3.24Å; E17-T313 WeakPolarHBondContact OE1-CB 3.38Å; E17-T313 VanDerWaalsContact OE1-CG2 3.29Å; E17-T313 WeakPolarHBondContact OE1-CG2 3.33Å; E17-T313 PolarHBondContact OE1-OG1 3.46Å; E17-T313 VanDerWaalsContact OE1-OG1 3.09Å; E17-T313 WeakPolarHBondContact OE2-CA 3.49Å; E17-T313 WeakPolarHBondContact OE2-CB 3.4Å; E17-T313 PolarHBondContact OE2-N 3.33Å; E17-T313 PolarHBondContact OE2-OG1 3.07Å; R82-T313 PolarHBondContact NH2-OG1 3.19Å; T313-H315 PolarHBondContact O-N 3.06Å; T313-Y316 WeakPolarHBondContact O-CB 3.25Å; T313-Y316 PolarHBondContact O-N 3.02Å; T313-R317 HydrophobicContact CG2-CG 4.43Å; T313-R317 WeakPolarHBondContact O-CG 3.15Å; T313-R317 PolarHBondContact O-N 2.91Å
314	R	94.7	Very high	93.8	Very high	190 Å²	190	60.8 Å²	60.8	72%	0.717	31%	0.305	S	S	*	.	H	α-helix	trans	-59.7	-47.9	-177.3	179.7	-175.9	171.9	-174.6	0.5	111.1	V312 Y316 R317 M318	V312-R314 VanDerWaalsContact C-N 3.28Å; V312-R314 PolarHBondContact O-N 3.19Å; V312-R314 VanDerWaalsContact O-N 3.15Å; R314-Y316 VanDerWaalsContact C-N 3.31Å; R314-R317 PolarHBondContact O-N 3.44Å; R314-M318 HydrophobicContact CG-SD 4.43Å; R314-M318 WeakPolarHBondContact O-CG 3.25Å; R314-M318 PolarHBondContact O-N 2.82Å
315	H	95.8	Very high	93.7	Very high	43 Å²	43	60.9 Å²	60.9	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-33.7	178.6	-69.1	178.7	0	0	0	111.1	M18 V312 T313 R317 M318 Y319 T325 S326 T327	M18-H315 HydrophobicContact CB-CB 4.27Å; M18-H315 HydrophobicContact CG-CB 3.84Å; M18-H315 HydrophobicContact SD-CB 4.35Å; V312-H315 HydrophobicContact CG1-CB 3.86Å; V312-H315 PolarHBondContact O-N 2.99Å; V312-H315 VanDerWaalsContact O-N 3.15Å; T313-H315 PolarHBondContact O-N 3.06Å; H315-R317 PolarHBondContact O-N 2.85Å; H315-M318 WeakPolarHBondContact O-CB 3.37Å; H315-M318 PolarHBondContact O-N 3.43Å; H315-Y319 WeakPolarHBondContact O-CB 3.26Å; H315-Y319 PolarHBondContact O-N 3.03Å; H315-T325 HydrophobicContact CB-CG2 3.85Å; H315-T325 WeakPolarHBondContact O-CG2 3.46Å; H315-S326 PolarHBondContact CE1-O 2.98Å; H315-S326 VanDerWaalsContact CE1-O 3.28Å; H315-T327 WeakPolarHBondContact CB-OG1 3.31Å; H315-T327 PolarHBondContact ND1-N 3.45Å; H315-T327 PolarHBondContact ND1-OG1 3.1Å
316	Y	97.1	Very high	93.6	Very high	65 Å²	65	61.4 Å²	61.4	26%	0.255	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-46.5	174.7	-173	-122.1	0	0	0	112.5	E17 V312 T313 R314 M318 Y319 Q320	E17-Y316 HydrophobicContact CB-CD1 3.75Å; E17-Y316 HydrophobicContact CB-CD2 4.18Å; E17-Y316 HydrophobicContact CB-CE1 4.39Å; E17-Y316 HydrophobicContact CB-CG 3.62Å; E17-Y316 HydrophobicContact CG-CD1 3.72Å; E17-Y316 HydrophobicContact CG-CE1 4.21Å; E17-Y316 HydrophobicContact CG-CG 4.14Å; V312-Y316 PolarHBondContact O-N 2.87Å; T313-Y316 WeakPolarHBondContact O-CB 3.25Å; T313-Y316 PolarHBondContact O-N 3.02Å; R314-Y316 VanDerWaalsContact C-N 3.31Å; Y316-M318 PolarHBondContact O-N 3.17Å; Y316-Y319 HydrophobicContact CD2-CD1 4.38Å; Y316-Y319 HydrophobicContact CE2-CD1 4.46Å; Y316-Y319 WeakPolarHBondContact O-CB 3.35Å; Y316-Y319 PolarHBondContact O-N 3.49Å; Y316-Q320 HydrophobicContact CE1-CG 4.27Å; Y316-Q320 HydrophobicContact CE2-CG 4.27Å; Y316-Q320 WeakPolarHBondContact O-CG 3.44Å; Y316-Q320 PolarHBondContact O-N 3.49Å
317	R	96.7	Very high	93.6	Very high	119 Å²	119	61.4 Å²	61.4	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-30.2	176.1	-69	176.4	176	174.8	-0.8	113	E85 T313 R314 H315 K321	E85-R317 IonicContact OE1-NH2 3.32Å; E85-R317 PolarHBondContact OE1-NH2 2.89Å; E85-R317 IonicContact OE2-NH2 3.68Å; T313-R317 HydrophobicContact CG2-CG 4.43Å; T313-R317 WeakPolarHBondContact O-CG 3.15Å; T313-R317 PolarHBondContact O-N 2.91Å; R314-R317 PolarHBondContact O-N 3.44Å; H315-R317 PolarHBondContact O-N 2.85Å; R317-K321 WeakPolarHBondContact O-CD 3.32Å; R317-K321 WeakPolarHBondContact O-CG 3.21Å
318	M	97.1	Very high	93.9	Very high	50 Å²	50	61.8 Å²	61.8	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-72.1	-48.2	172.9	-70.6	176.2	71.9	0	0	110.8	R314 H315 Y316 Q320 K321 G322 Q323 E324 T325	R314-M318 HydrophobicContact CG-SD 4.43Å; R314-M318 WeakPolarHBondContact O-CG 3.25Å; R314-M318 PolarHBondContact O-N 2.82Å; H315-M318 WeakPolarHBondContact O-CB 3.37Å; H315-M318 PolarHBondContact O-N 3.43Å; Y316-M318 PolarHBondContact O-N 3.17Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.46Å; M318-K321 CarbonylContact O-C 3.55Å; M318-K321 WeakPolarHBondContact O-CA 3.18Å; M318-K321 WeakPolarHBondContact O-CB 3.38Å; M318-K321 PolarHBondContact O-N 3.45Å; M318-G322 PolarHBondContact O-N 3.32Å; M318-Q323 HydrophobicContact CB-CB 3.94Å; M318-Q323 HydrophobicContact CE-CB 4.35Å; M318-Q323 WeakPolarHBondContact O-CB 3.33Å; M318-Q323 PolarHBondContact O-N 2.81Å; M318-E324 WeakPolarHBondContact CE-O 3.37Å; M318-T325 HydrophobicContact CB-CG2 4.07Å
319	Y	96.5	Very high	94.5	Very high	93 Å²	93	61.3 Å²	61.3	37%	0.365	31%	0.307	S	S	.	.	H	α-helix	trans	-56	-45.2	176.5	171	-103.9	0	0	0	112.1	M18 I21 H315 Y316 K321 G322 F395	M18-Y319 HydrophobicContact SD-CG 4.27Å; I21-Y319 HydrophobicContact CD1-CE1 3.85Å; I21-Y319 HydrophobicContact CG1-CD1 4.22Å; I21-Y319 HydrophobicContact CG1-CE1 3.89Å; I21-Y319 HydrophobicContact CG2-CE2 4.44Å; H315-Y319 WeakPolarHBondContact O-CB 3.26Å; H315-Y319 PolarHBondContact O-N 3.03Å; Y316-Y319 HydrophobicContact CD2-CD1 4.38Å; Y316-Y319 HydrophobicContact CE2-CD1 4.46Å; Y316-Y319 WeakPolarHBondContact O-CB 3.35Å; Y316-Y319 PolarHBondContact O-N 3.49Å; Y319-K321 PolarHBondContact O-N 3.41Å; Y319-K321 VanDerWaalsContact O-N 3.12Å; Y319-G322 PolarHBondContact O-N 3.4Å; Y319-F395 HydrophobicContact CD2-CE2 4.35Å; Y319-F395 AromaticContact CD2-CZ 3.87Å; Y319-F395 HydrophobicContact CD2-CZ 3.87Å; Y319-F395 AromaticContact CE2-CZ 3.69Å; Y319-F395 HydrophobicContact CE2-CZ 3.69Å
320	Q	96.8	Very high	95.2	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.2	175.3	-72.8	180	-50.3	0	0	113.5	Y316 M318	Y316-Q320 HydrophobicContact CE1-CG 4.27Å; Y316-Q320 HydrophobicContact CE2-CG 4.27Å; Y316-Q320 WeakPolarHBondContact O-CG 3.44Å; Y316-Q320 PolarHBondContact O-N 3.49Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.46Å
321	K	97.3	Very high	95.5	Very high	154 Å²	154	57.3 Å²	57.3	67%	0.67	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	7.8	176.2	-64.5	173.8	-175.2	-177.6	0	112.9	R317 M318 Y319 Q323	R317-K321 WeakPolarHBondContact O-CD 3.32Å; R317-K321 WeakPolarHBondContact O-CG 3.21Å; M318-K321 CarbonylContact O-C 3.55Å; M318-K321 WeakPolarHBondContact O-CA 3.18Å; M318-K321 WeakPolarHBondContact O-CB 3.38Å; M318-K321 PolarHBondContact O-N 3.45Å; Y319-K321 PolarHBondContact O-N 3.41Å; Y319-K321 VanDerWaalsContact O-N 3.12Å; K321-Q323 HydrophobicContact CB-CG 3.99Å; K321-Q323 PolarHBondContact O-N 3.34Å
322	G	95.9	Very high	95.8	Very high	75 Å²	75	56.7 Å²	56.7	77%	0.773	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	18	-173.5	0	0	0	0	0	113.8	M318 Y319	M318-G322 PolarHBondContact O-N 3.32Å; Y319-G322 PolarHBondContact O-N 3.4Å
323	Q	96.5	Very high	96	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	26%	0.259	S	S	.	.			trans	-85.7	151.2	178.9	-61.8	177.5	-18.1	0	0	110.9	M318 K321	M318-Q323 HydrophobicContact CB-CB 3.94Å; M318-Q323 HydrophobicContact CE-CB 4.35Å; M318-Q323 WeakPolarHBondContact O-CB 3.33Å; M318-Q323 PolarHBondContact O-N 2.81Å; K321-Q323 HydrophobicContact CB-CG 3.99Å; K321-Q323 PolarHBondContact O-N 3.34Å
324	E	94.1	Very high	96.2	Very high	83 Å²	83	53.4 Å²	53.4	39%	0.388	25%	0.251	S	S	.	.			trans	-61.9	137.8	177.3	-178.4	165.5	-119.8	0	0	112.3	M318 R388 N393	M318-E324 WeakPolarHBondContact CE-O 3.37Å; E324-R388 IonicContact OE1-CZ 2.64Å; E324-R388 IonicContact OE1-NE 3.34Å; E324-R388 PolarHBondContact OE1-NE 2.73Å; E324-R388 IonicContact OE1-NH2 3.12Å; E324-R388 PolarHBondContact OE1-NH2 2.88Å; E324-R388 WeakPolarHBondContact OE2-CD 3.18Å; E324-R388 IonicContact OE2-CZ 3.99Å; E324-R388 IonicContact OE2-NE 3.79Å; E324-R388 PolarHBondContact OE2-NE 3.46Å; E324-N393 HydrophobicContact CG-CB 3.69Å; E324-N393 VanDerWaalsContact OE1-CB 3.3Å; E324-N393 WeakPolarHBondContact OE1-CB 3.36Å; E324-N393 PolarHBondContact OE1-ND2 3.16Å
325	T	95.9	Very high	96.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.218	C	C	.	.			trans	-122.4	150.1	175.3	61.9	0	0	0	0	109.9	M18 H315 M318 N393 T394	M18-T325 HydrophobicContact CE-CG2 4.43Å; M18-T325 WeakPolarHBondContact CE-OG1 2.96Å; M18-T325 HydrophobicContact SD-CG2 4.27Å; H315-T325 HydrophobicContact CB-CG2 3.85Å; H315-T325 WeakPolarHBondContact O-CG2 3.46Å; M318-T325 HydrophobicContact CB-CG2 4.07Å; T325-N393 CarbonylContact O-C 3.56Å; T325-N393 WeakPolarHBondContact O-CA 3.47Å; T325-N393 VanDerWaalsContact O-CB 3.25Å; T325-N393 WeakPolarHBondContact O-CB 3.5Å; T325-T394 PolarHBondContact O-N 3.18Å; T325-T394 PolarHBondContact O-OG1 3.1Å; T325-T394 PolarHBondContact OG1-OG1 2.8Å
326	S	95	Very high	96.5	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.07	21%	0.208	C	C	.	.			trans	-132.9	67.1	171.3	-169.5	0	0	0	0	109.1	H315 T373 K374 L392 T394	H315-S326 PolarHBondContact CE1-O 2.98Å; H315-S326 VanDerWaalsContact CE1-O 3.28Å; S326-T373 WeakPolarHBondContact OG-CB 3.4Å; S326-K374 WeakPolarHBondContact OG-CB 3.32Å; S326-K374 PolarHBondContact OG-N 3.17Å; S326-L392 PolarHBondContact OG-O 3.32Å; S326-T394 WeakPolarHBondContact CA-OG1 3.32Å; S326-T394 PolarHBondContact N-OG1 3.13Å
327	T	95.1	Very high	96.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	20%	0.196	C	C	.	.			trans	-83.3	127.8	174.9	-48.4	0	0	0	0	108.7	M18 I22 V312 H315 P329 T394	M18-T327 HydrophobicContact CG-CG2 4.3Å; M18-T327 VanDerWaalsContact CG-OG1 3.28Å; M18-T327 WeakPolarHBondContact CG-OG1 3.1Å; I22-T327 HydrophobicContact CD1-CG2 3.21Å; V312-T327 HydrophobicContact CB-CG2 4.28Å; V312-T327 HydrophobicContact CG1-CG2 4.07Å; V312-T327 HydrophobicContact CG2-CG2 3.99Å; H315-T327 WeakPolarHBondContact CB-OG1 3.31Å; H315-T327 PolarHBondContact ND1-N 3.45Å; H315-T327 PolarHBondContact ND1-OG1 3.1Å; T327-P329 VanDerWaalsContact O-CD 3.31Å; T327-P329 WeakPolarHBondContact O-CD 3.36Å; T327-T394 PolarHBondContact N-OG1 3.08Å
328	N	94.6	Very high	96.7	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	19%	0.187	C	C	.	.			trans	-73.1	116.1	176	-172.3	-21	0	0	0	110.7	I330 T373 D375	N328-I330 VanDerWaalsContact OD1-CB 3.24Å; N328-I330 WeakPolarHBondContact OD1-CB 3.26Å; N328-I330 WeakPolarHBondContact OD1-CG1 3.33Å; N328-I330 PolarHBondContact OD1-N 3.35Å; N328-T373 WeakPolarHBondContact CB-OG1 3.02Å; N328-D375 PolarHBondContact ND2-OD2 2.94Å
329	P	96.3	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.			trans	-86.3	-2.4	-178	36.9	-37.6	0	0	0	113.9	I22 T327 A331 S332 I333 F397 M398 L401	I22-P329 HydrophobicContact CG2-CB 3.5Å; T327-P329 VanDerWaalsContact O-CD 3.31Å; T327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-A331 PolarHBondContact O-N 3.44Å; P329-S332 WeakPolarHBondContact O-CB 3.07Å; P329-S332 PolarHBondContact O-N 3.24Å; P329-S332 VanDerWaalsContact O-N 3.1Å; P329-I333 HydrophobicContact CB-CD1 4.11Å; P329-I333 HydrophobicContact CB-CG1 4.46Å; P329-I333 HydrophobicContact CG-CD1 4.02Å; P329-I333 WeakPolarHBondContact O-CG1 3.29Å; P329-I333 PolarHBondContact O-N 3.5Å; P329-F397 HydrophobicContact CG-CD1 3.65Å; P329-F397 HydrophobicContact CG-CE1 3.78Å; P329-M398 HydrophobicContact CB-CE 3.59Å; P329-M398 HydrophobicContact CG-CE 3.98Å; P329-L401 HydrophobicContact CG-CD1 4.31Å
330	I	96.8	Very high	96.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-47.7	-164.2	-64	-75.8	0	0	0	112.2	I112 M290 N328 S332 I333 F334 I367 F397	I112-I330 HydrophobicContact CD1-CG2 3.74Å; I112-I330 HydrophobicContact CG2-CG2 4.48Å; M290-I330 HydrophobicContact CE-CG2 4.02Å; M290-I330 HydrophobicContact SD-CB 3.89Å; M290-I330 HydrophobicContact SD-CG1 4.06Å; M290-I330 HydrophobicContact SD-CG2 3.73Å; N328-I330 VanDerWaalsContact OD1-CB 3.24Å; N328-I330 WeakPolarHBondContact OD1-CB 3.26Å; N328-I330 WeakPolarHBondContact OD1-CG1 3.33Å; N328-I330 PolarHBondContact OD1-N 3.35Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.45Å; I330-I333 WeakPolarHBondContact O-CB 3.42Å; I330-I333 PolarHBondContact O-N 2.86Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I330-F334 HydrophobicContact CG2-CD2 3.85Å; I330-F334 HydrophobicContact CG2-CE2 3.85Å; I330-F334 VanDerWaalsContact O-CD2 3.28Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.47Å; I330-I367 HydrophobicContact CD1-CD1 3.77Å; I330-I367 HydrophobicContact CG1-CD1 3.93Å; I330-F397 HydrophobicContact CD1-CE1 3.96Å; I330-F397 HydrophobicContact CD1-CZ 4Å; I330-F397 HydrophobicContact CG1-CE1 4.07Å; I330-F397 HydrophobicContact CG1-CZ 4.41Å
331	A	95.3	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-38.6	175.9	0	0	0	0	0	112.5	G289 A307 P329 F334 A335	G289-A331 WeakPolarHBondContact O-CB 3.3Å; G289-A331 PolarHBondContact O-N 3.1Å; A307-A331 HydrophobicContact CB-CB 4.42Å; P329-A331 PolarHBondContact O-N 3.44Å; A331-F334 PolarHBondContact O-N 3.46Å; A331-A335 PolarHBondContact O-N 2.9Å
332	S	97	Very high	96.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-37.5	176.2	-62.4	0	0	0	0	112.7	I26 P329 I330 F334 A335 W336	I26-S332 VanDerWaalsContact CD1-CB 3.47Å; P329-S332 WeakPolarHBondContact O-CB 3.07Å; P329-S332 PolarHBondContact O-N 3.24Å; P329-S332 VanDerWaalsContact O-N 3.1Å; I330-S332 VanDerWaalsContact C-N 3.26Å; I330-S332 PolarHBondContact O-N 3.45Å; S332-F334 VanDerWaalsContact C-N 3.32Å; S332-A335 WeakPolarHBondContact O-CB 3.19Å; S332-A335 PolarHBondContact O-N 3.21Å; S332-W336 PolarHBondContact O-N 2.84Å
333	I	98.4	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-45.4	172.3	-68.6	166.3	0	0	0	109.3	I26 L30 P329 I330 A335 W336 T337 L359 L401	I26-I333 HydrophobicContact CD1-CG1 3.71Å; I26-I333 HydrophobicContact CG1-CG1 3.76Å; I26-I333 HydrophobicContact CG2-CG1 4.33Å; L30-I333 HydrophobicContact CD1-CD1 3.75Å; L30-I333 HydrophobicContact CD1-CG1 3.96Å; P329-I333 HydrophobicContact CB-CD1 4.11Å; P329-I333 HydrophobicContact CB-CG1 4.46Å; P329-I333 HydrophobicContact CG-CD1 4.02Å; P329-I333 WeakPolarHBondContact O-CG1 3.29Å; P329-I333 PolarHBondContact O-N 3.5Å; I330-I333 WeakPolarHBondContact O-CB 3.42Å; I330-I333 PolarHBondContact O-N 2.86Å; I330-I333 VanDerWaalsContact O-N 3.14Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.16Å; I333-W336 WeakPolarHBondContact O-CB 3.42Å; I333-W336 PolarHBondContact O-N 3.14Å; I333-W336 VanDerWaalsContact O-N 3.15Å; I333-T337 HydrophobicContact CG2-CG2 4.27Å; I333-T337 PolarHBondContact O-N 3.1Å; I333-T337 PolarHBondContact O-OG1 3.11Å; I333-L359 HydrophobicContact CG2-CD1 4.13Å; I333-L359 HydrophobicContact CG2-CD2 4.04Å; I333-L359 HydrophobicContact CG2-CG 3.77Å; I333-L401 HydrophobicContact CD1-CD1 3.56Å
334	F	98.1	Very high	97.1	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-68.5	-30.2	179.7	-84.4	-116.4	0	0	0	112.8	I112 T292 I330 A331 S332 W336 T337 R338 E360 I364	I112-F334 HydrophobicContact CD1-CB 4.03Å; I112-F334 HydrophobicContact CD1-CD1 3.54Å; I112-F334 HydrophobicContact CD1-CD2 3.76Å; I112-F334 HydrophobicContact CD1-CE1 3.81Å; I112-F334 HydrophobicContact CD1-CE2 4.03Å; I112-F334 HydrophobicContact CD1-CG 3.48Å; I112-F334 VanDerWaalsContact CD1-CG 3.48Å; I112-F334 HydrophobicContact CD1-CZ 4.04Å; I112-F334 HydrophobicContact CG1-CD1 3.92Å; I112-F334 HydrophobicContact CG1-CE1 3.85Å; I112-F334 HydrophobicContact CG1-CG 4.37Å; I112-F334 HydrophobicContact CG1-CZ 4.28Å; I112-F334 HydrophobicContact CG2-CE1 4.06Å; I112-F334 HydrophobicContact CG2-CE2 4.33Å; I112-F334 HydrophobicContact CG2-CZ 3.75Å; T292-F334 HydrophobicContact CG2-CB 3.98Å; T292-F334 HydrophobicContact CG2-CD1 3.48Å; T292-F334 VanDerWaalsContact CG2-CD1 3.48Å; T292-F334 HydrophobicContact CG2-CE1 4.36Å; T292-F334 HydrophobicContact CG2-CG 4.12Å; I330-F334 HydrophobicContact CG2-CD2 3.85Å; I330-F334 HydrophobicContact CG2-CE2 3.85Å; I330-F334 VanDerWaalsContact O-CD2 3.28Å; I330-F334 WeakPolarHBondContact O-CD2 3.32Å; I330-F334 PolarHBondContact O-N 3.47Å; A331-F334 PolarHBondContact O-N 3.46Å; S332-F334 VanDerWaalsContact C-N 3.32Å; F334-W336 VanDerWaalsContact C-N 3.31Å; F334-W336 PolarHBondContact O-N 2.94Å; F334-T337 VanDerWaalsContact CA-OG1 3.28Å; F334-T337 WeakPolarHBondContact CA-OG1 3.48Å; F334-T337 PolarHBondContact O-N 2.89Å; F334-T337 PolarHBondContact O-OG1 2.74Å; F334-R338 WeakPolarHBondContact O-CB 3.43Å; F334-R338 WeakPolarHBondContact O-CG 3.23Å; F334-R338 PolarHBondContact O-N 3.16Å; F334-E360 HydrophobicContact CD1-CG 3.8Å; F334-E360 HydrophobicContact CD2-CG 4.29Å; F334-E360 HydrophobicContact CE1-CB 3.81Å; F334-E360 VanDerWaalsContact CE1-CD 3.45Å; F334-E360 HydrophobicContact CE1-CG 3.52Å; F334-E360 WeakPolarHBondContact CE1-OE2 3.18Å; F334-E360 HydrophobicContact CE2-CB 4.15Å; F334-E360 HydrophobicContact CE2-CG 4.03Å; F334-E360 HydrophobicContact CG-CG 4.22Å; F334-E360 HydrophobicContact CZ-CB 3.57Å; F334-E360 HydrophobicContact CZ-CG 3.65Å; F334-I364 HydrophobicContact CZ-CD1 4.29Å; F334-I364 HydrophobicContact CZ-CG1 4.36Å
335	A	98	Very high	97.3	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	8%	0.077	C	C	.	.	H	α-helix	trans	-58	-46.9	169.9	0	0	0	0	0	110.8	W23 A305 A331 S332 I333 G339	W23-A335 HydrophobicContact CH2-CB 4.02Å; W23-A335 HydrophobicContact CZ3-CB 4.07Å; A305-A335 WeakPolarHBondContact CB-O 3.15Å; A331-A335 PolarHBondContact O-N 2.9Å; S332-A335 WeakPolarHBondContact O-CB 3.19Å; S332-A335 PolarHBondContact O-N 3.21Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.16Å; A335-G339 PolarHBondContact O-N 2.92Å; A335-G339 VanDerWaalsContact O-N 3.17Å
336	W	98.5	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-52.7	174	-84.6	103.7	0	0	0	112.9	V10 E12 W23 I26 K27 I31 L37 L39 V71 S332 I333 F334 R338 G339 L340	V10-W336 HydrophobicContact CG1-CZ3 4.37Å; E12-W336 HydrophobicContact CB-CH2 4.41Å; E12-W336 HydrophobicContact CG-CH2 4.39Å; E12-W336 HydrophobicContact CG-CZ2 4.25Å; W23-W336 AromaticContact CD2-NE1 3.51Å; W23-W336 AromaticContact CE2-CE2 3.68Å; W23-W336 AromaticContact CE2-CZ2 3.82Å; W23-W336 AromaticContact CE2-NE1 3.15Å; W23-W336 AromaticContact CE3-NE1 3.8Å; W23-W336 AromaticContact CH2-CD1 3.61Å; W23-W336 HydrophobicContact CH2-CG 4.35Å; W23-W336 AromaticContact CH2-NE1 3.46Å; W23-W336 AromaticContact CZ2-CD1 3.81Å; W23-W336 HydrophobicContact CZ2-CD2 4.34Å; W23-W336 AromaticContact CZ2-CE2 3.51Å; W23-W336 HydrophobicContact CZ2-CG 4.5Å; W23-W336 AromaticContact CZ2-CZ2 3.84Å; W23-W336 HydrophobicContact CZ2-CZ2 3.84Å; W23-W336 AromaticContact CZ2-NE1 3.14Å; W23-W336 AromaticContact CZ3-CD1 3.77Å; W23-W336 AromaticContact CZ3-NE1 3.77Å; W23-W336 AromaticContact NE1-CE2 3.93Å; W23-W336 AromaticContact NE1-CZ2 3.61Å; W23-W336 AromaticContact NE1-NE1 3.69Å; I26-W336 HydrophobicContact CG2-CG 4.29Å; K27-W336 HydrophobicContact CD-CH2 4.02Å; K27-W336 HydrophobicContact CD-CZ2 3.63Å; K27-W336 HydrophobicContact CG-CH2 4.12Å; K27-W336 HydrophobicContact CG-CZ2 3.57Å; I31-W336 HydrophobicContact CD1-CB 3.67Å; I31-W336 HydrophobicContact CD1-CD2 3.22Å; I31-W336 HydrophobicContact CD1-CE3 3.46Å; I31-W336 VanDerWaalsContact CD1-CE3 3.46Å; I31-W336 HydrophobicContact CD1-CG 3.33Å; I31-W336 HydrophobicContact CD1-CZ3 4.19Å; L37-W336 HydrophobicContact CD1-CZ3 3.83Å; L39-W336 HydrophobicContact CD1-CH2 3.92Å; L39-W336 HydrophobicContact CD1-CZ3 4.23Å; L39-W336 HydrophobicContact CD2-CH2 4.47Å; V71-W336 HydrophobicContact CB-CD2 4.46Å; V71-W336 HydrophobicContact CB-CE3 4.42Å; V71-W336 HydrophobicContact CG1-CE3 4.29Å; V71-W336 HydrophobicContact CG2-CD2 4.1Å; V71-W336 HydrophobicContact CG2-CE3 3.85Å; V71-W336 HydrophobicContact CG2-CH2 3.73Å; V71-W336 HydrophobicContact CG2-CZ2 3.96Å; V71-W336 HydrophobicContact CG2-CZ3 3.68Å; S332-W336 PolarHBondContact O-N 2.84Å; I333-W336 WeakPolarHBondContact O-CB 3.42Å; I333-W336 PolarHBondContact O-N 3.14Å; I333-W336 VanDerWaalsContact O-N 3.15Å; F334-W336 VanDerWaalsContact C-N 3.31Å; F334-W336 PolarHBondContact O-N 2.94Å; W336-R338 VanDerWaalsContact C-N 3.3Å; W336-R338 PolarHBondContact O-N 3.44Å; W336-G339 PolarHBondContact O-N 2.79Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.33Å; W336-L340 PolarHBondContact O-N 2.92Å
337	T	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-36	-176	58.4	0	0	0	0	112	I333 F334 L340 A341 A356 L359 E360	I333-T337 HydrophobicContact CG2-CG2 4.27Å; I333-T337 PolarHBondContact O-N 3.1Å; I333-T337 PolarHBondContact O-OG1 3.11Å; F334-T337 VanDerWaalsContact CA-OG1 3.28Å; F334-T337 WeakPolarHBondContact CA-OG1 3.48Å; F334-T337 PolarHBondContact O-N 2.89Å; F334-T337 PolarHBondContact O-OG1 2.74Å; T337-L340 PolarHBondContact O-N 2.78Å; T337-A341 WeakPolarHBondContact O-CB 3.27Å; T337-A341 PolarHBondContact O-N 2.84Å; T337-A356 WeakPolarHBondContact CG2-O 3.49Å; T337-L359 HydrophobicContact CG2-CB 3.82Å; T337-L359 HydrophobicContact CG2-CD2 3.69Å; T337-L359 HydrophobicContact CG2-CG 3.72Å; T337-E360 WeakPolarHBondContact CB-OE1 3.36Å; T337-E360 HydrophobicContact CG2-CG 3.96Å; T337-E360 WeakPolarHBondContact OG1-CG 3.34Å; T337-E360 PolarHBondContact OG1-OE1 3.25Å
338	R	98.1	Very high	97.7	Very high	69 Å²	69	28.1 Å²	28.1	26%	0.26	14%	0.139	S	C	.	.	H	α-helix	trans	-66.2	-42	175.4	-68.3	-68.5	-177	-123.7	-8.7	111.9	V294 A305 F334 W336 H342 E360	V294-R338 HydrophobicContact CG2-CB 3.88Å; V294-R338 HydrophobicContact CG2-CG 3.98Å; A305-R338 HydrophobicContact CB-CB 3.96Å; F334-R338 WeakPolarHBondContact O-CB 3.43Å; F334-R338 WeakPolarHBondContact O-CG 3.23Å; F334-R338 PolarHBondContact O-N 3.16Å; W336-R338 VanDerWaalsContact C-N 3.3Å; W336-R338 PolarHBondContact O-N 3.44Å; R338-H342 PolarHBondContact O-N 2.83Å; R338-H342 VanDerWaalsContact O-N 3.09Å; R338-E360 IonicContact CZ-OE1 2.87Å; R338-E360 IonicContact CZ-OE2 2.95Å; R338-E360 IonicContact NE-OE1 3.82Å; R338-E360 IonicContact NH1-OE1 2.63Å; R338-E360 PolarHBondContact NH1-OE1 3.22Å; R338-E360 IonicContact NH1-OE2 3.8Å; R338-E360 PolarHBondContact NH1-OE2 2.93Å; R338-E360 IonicContact NH2-OE1 3.6Å; R338-E360 IonicContact NH2-OE2 2.6Å; R338-E360 PolarHBondContact NH2-OE2 2.98Å
339	G	98.4	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-47.1	172.2	0	0	0	0	0	112.4	V69 A335 W336 H342 R343	V69-G339 WeakPolarHBondContact CG1-O 3.19Å; A335-G339 PolarHBondContact O-N 2.92Å; A335-G339 VanDerWaalsContact O-N 3.17Å; W336-G339 PolarHBondContact O-N 2.79Å; G339-H342 PolarHBondContact O-N 3.45Å; G339-R343 WeakPolarHBondContact O-CB 3.38Å; G339-R343 PolarHBondContact O-N 2.87Å
340	L	98.7	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-38.8	179.3	-66.3	179.6	0	0	0	113	V10 I31 L37 W336 T337 H342 R343 A344 L352 F355 A356	V10-L340 HydrophobicContact CG2-CD2 4.22Å; I31-L340 HydrophobicContact CG2-CD1 4.38Å; L37-L340 HydrophobicContact CD1-CD2 4.16Å; L37-L340 HydrophobicContact CD2-CD2 3.68Å; W336-L340 WeakPolarHBondContact O-CB 3.44Å; W336-L340 VanDerWaalsContact O-CG 3.3Å; W336-L340 WeakPolarHBondContact O-CG 3.33Å; W336-L340 PolarHBondContact O-N 2.92Å; T337-L340 PolarHBondContact O-N 2.78Å; L340-H342 VanDerWaalsContact C-N 3.31Å; L340-H342 PolarHBondContact O-N 3.14Å; L340-R343 PolarHBondContact O-N 3.33Å; L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.33Å; L340-A344 PolarHBondContact O-N 2.81Å; L340-L352 HydrophobicContact CB-CD1 4.28Å; L340-L352 HydrophobicContact CB-CG 4.4Å; L340-L352 HydrophobicContact CD2-CD1 4.31Å; L340-L352 WeakPolarHBondContact O-CD2 3.41Å; L340-F355 HydrophobicContact CD1-CD1 4.29Å; L340-F355 HydrophobicContact CD1-CE1 3.83Å; L340-A356 HydrophobicContact CB-CB 4.24Å
341	A	98.3	Very high	97.9	Very high	27 Å²	27	42.4 Å²	42.4	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-38.4	175.2	0	0	0	0	0	111.3	T337 A344 K345 A356	T337-A341 WeakPolarHBondContact O-CB 3.27Å; T337-A341 PolarHBondContact O-N 2.84Å; A341-A344 WeakPolarHBondContact O-CB 3.35Å; A341-A344 PolarHBondContact O-N 3.12Å; A341-K345 PolarHBondContact O-N 2.95Å; A341-A356 HydrophobicContact CB-CB 4.03Å
342	H	98	Very high	98.1	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.13	20%	0.204	C	C	.	.	H	α-helix	trans	-70.7	-42.6	175.6	-168.8	73.3	0	0	0	112.3	K301 V303 R338 G339 L340 A344 K345 L346	K301-H342 PolarHBondContact O-NE2 2.97Å; V303-H342 HydrophobicContact CG2-CB 3.67Å; V303-H342 WeakPolarHBondContact CG2-CD2 3.37Å; V303-H342 VanDerWaalsContact CG2-CG 3.48Å; R338-H342 PolarHBondContact O-N 2.83Å; R338-H342 VanDerWaalsContact O-N 3.09Å; G339-H342 PolarHBondContact O-N 3.45Å; L340-H342 VanDerWaalsContact C-N 3.31Å; L340-H342 PolarHBondContact O-N 3.14Å; H342-A344 VanDerWaalsContact C-N 3.27Å; H342-A344 PolarHBondContact O-N 3.29Å; H342-K345 WeakPolarHBondContact O-CB 3.46Å; H342-K345 PolarHBondContact O-N 2.91Å; H342-K345 VanDerWaalsContact O-N 3.11Å; H342-L346 WeakPolarHBondContact O-CG 3.48Å; H342-L346 PolarHBondContact O-N 2.82Å
343	R	98.5	Very high	98.1	Very high	17 Å²	17	43.9 Å²	43.9	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-54.3	-46	169.4	173.1	48.3	61	-153.4	-1.3	111.4	G7 S9 V10 H67 V69 G339 L340 K345 L346 D347 L352	G7-R343 WeakPolarHBondContact O-CG 3.46Å; S9-R343 PolarHBondContact O-NE 2.61Å; S9-R343 PolarHBondContact O-NH2 3.13Å; V10-R343 HydrophobicContact CG2-CG 4.47Å; H67-R343 PolarHBondContact O-NH2 3.38Å; V69-R343 HydrophobicContact CG1-CB 4.47Å; V69-R343 HydrophobicContact CG2-CB 4.02Å; G339-R343 WeakPolarHBondContact O-CB 3.38Å; G339-R343 PolarHBondContact O-N 2.87Å; L340-R343 PolarHBondContact O-N 3.33Å; R343-K345 VanDerWaalsContact C-N 3.27Å; R343-K345 PolarHBondContact O-N 2.9Å; R343-L346 PolarHBondContact O-N 3.13Å; R343-L346 VanDerWaalsContact O-N 3.15Å; R343-D347 VanDerWaalsContact CD-CG 3.45Å; R343-D347 WeakPolarHBondContact CD-OD2 3.4Å; R343-D347 IonicContact CZ-OD1 2.65Å; R343-D347 IonicContact NH1-OD1 3.62Å; R343-D347 PolarHBondContact NH1-OD1 3.46Å; R343-D347 IonicContact NH1-OD2 2.85Å; R343-D347 WeakPolarHBondContact O-CB 3.33Å; R343-D347 PolarHBondContact O-N 3.04Å; R343-L352 HydrophobicContact CB-CD2 4.17Å; R343-L352 HydrophobicContact CG-CD2 3.79Å
344	A	98.4	Very high	98.1	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-39.1	177.4	0	0	0	0	0	112.4	L340 A341 H342 N348 N349 L352 A353	L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.33Å; L340-A344 PolarHBondContact O-N 2.81Å; A341-A344 WeakPolarHBondContact O-CB 3.35Å; A341-A344 PolarHBondContact O-N 3.12Å; H342-A344 VanDerWaalsContact C-N 3.27Å; H342-A344 PolarHBondContact O-N 3.29Å; A344-N348 CarbonylContact O-C 3.59Å; A344-N348 WeakPolarHBondContact O-CA 3.46Å; A344-N348 PolarHBondContact O-N 3.36Å; A344-N349 HydrophobicContact CB-CB 4.48Å; A344-N349 WeakPolarHBondContact CB-O 3.32Å; A344-N349 PolarHBondContact O-N 3.43Å; A344-L352 HydrophobicContact CB-CB 3.86Å; A344-L352 HydrophobicContact CB-CD2 3.94Å; A344-L352 HydrophobicContact CB-CG 3.97Å; A344-A353 HydrophobicContact CB-CB 3.79Å
345	K	97.6	Very high	98.1	Very high	158 Å²	158	47.7 Å²	47.7	69%	0.687	23%	0.233	S	C	*	.	H	α-helix	trans	-64.6	-45.6	174.5	-178.3	-175.5	176.8	-175	0	112.1	A341 H342 R343 D347 N348	A341-K345 PolarHBondContact O-N 2.95Å; H342-K345 WeakPolarHBondContact O-CB 3.46Å; H342-K345 PolarHBondContact O-N 2.91Å; H342-K345 VanDerWaalsContact O-N 3.11Å; R343-K345 VanDerWaalsContact C-N 3.27Å; R343-K345 PolarHBondContact O-N 2.9Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 3.39Å; K345-N348 PolarHBondContact O-N 2.78Å
346	L	97.8	Very high	98.1	Very high	63 Å²	63	47.6 Å²	47.6	33%	0.33	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-39	179.1	-67.1	177.7	0	0	0	112.1	N68 V69 K301 H342 R343	N68-L346 HydrophobicContact CB-CD1 3.78Å; V69-L346 HydrophobicContact CG2-CD1 3.96Å; K301-L346 HydrophobicContact CB-CD2 4.46Å; H342-L346 WeakPolarHBondContact O-CG 3.48Å; H342-L346 PolarHBondContact O-N 2.82Å; R343-L346 PolarHBondContact O-N 3.13Å; R343-L346 VanDerWaalsContact O-N 3.15Å
347	D	98	Very high	98.1	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.1	-175.2	-61.8	5.2	0	0	0	112.8	R343 K345 N349	R343-D347 VanDerWaalsContact CD-CG 3.45Å; R343-D347 WeakPolarHBondContact CD-OD2 3.4Å; R343-D347 IonicContact CZ-OD1 2.65Å; R343-D347 IonicContact NH1-OD1 3.62Å; R343-D347 PolarHBondContact NH1-OD1 3.46Å; R343-D347 IonicContact NH1-OD2 2.85Å; R343-D347 WeakPolarHBondContact O-CB 3.33Å; R343-D347 PolarHBondContact O-N 3.04Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 3.39Å; D347-N349 HydrophobicContact CB-CB 4.2Å; D347-N349 PolarHBondContact O-N 3.19Å
348	N	97.9	Very high	98.1	Very high	133 Å²	133	51.1 Å²	51.1	71%	0.711	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	39	-171.4	-167.8	32.2	0	0	0	113	A344 K345	A344-N348 CarbonylContact O-C 3.59Å; A344-N348 WeakPolarHBondContact O-CA 3.46Å; A344-N348 PolarHBondContact O-N 3.36Å; K345-N348 PolarHBondContact O-N 2.78Å
349	N	97.9	Very high	98.1	Very high	33 Å²	33	47.9 Å²	47.9	18%	0.176	24%	0.239	C	C	.	.			trans	-95.5	97.2	-173.4	-175.6	-18.5	0	0	0	111.3	S6 A344 D347 E351 L352 A353	S6-N349 PolarHBondContact O-ND2 2.57Å; A344-N349 HydrophobicContact CB-CB 4.48Å; A344-N349 WeakPolarHBondContact CB-O 3.32Å; A344-N349 PolarHBondContact O-N 3.43Å; D347-N349 HydrophobicContact CB-CB 4.2Å; D347-N349 PolarHBondContact O-N 3.19Å; N349-E351 PolarHBondContact O-N 3.38Å; N349-E351 PolarHBondContact OD1-N 3.23Å; N349-L352 HydrophobicContact CB-CB 4.17Å; N349-L352 PolarHBondContact OD1-N 3.3Å; N349-A353 PolarHBondContact O-N 2.59Å; N349-A353 VanDerWaalsContact O-N 3.1Å
350	K	97.6	Very high	98.1	Very high	168 Å²	168	48.7 Å²	48.7	73%	0.73	24%	0.243	S	C	*	.	H	α-helix	trans	-66.7	-34.1	-177.6	-64.5	-177.8	-179	178.8	0	113.6	F354	K350-F354 WeakPolarHBondContact O-CB 3.44Å; K350-F354 PolarHBondContact O-N 2.89Å
351	E	97.4	Very high	98.1	Very high	111 Å²	111	53.2 Å²	53.2	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-44.7	179.7	-68	176	-176.2	0	0	110.6	I5 N349 F354 F355	I5-E351 HydrophobicContact CG1-CB 4.36Å; I5-E351 HydrophobicContact CG2-CB 3.91Å; N349-E351 PolarHBondContact O-N 3.38Å; N349-E351 PolarHBondContact OD1-N 3.23Å; E351-F354 PolarHBondContact O-N 3.2Å; E351-F355 WeakPolarHBondContact O-CB 3.36Å; E351-F355 PolarHBondContact O-N 2.81Å
352	L	98.2	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-40.2	176.7	-173.2	67.1	0	0	0	112	I5 V35 L340 R343 A344 N349 F354 F355 A356	I5-L352 HydrophobicContact CG2-CB 4.05Å; I5-L352 HydrophobicContact CG2-CD1 4.36Å; V35-L352 HydrophobicContact CG1-CD1 3.8Å; V35-L352 HydrophobicContact CG2-CD1 4.16Å; L340-L352 HydrophobicContact CB-CD1 4.28Å; L340-L352 HydrophobicContact CB-CG 4.4Å; L340-L352 HydrophobicContact CD2-CD1 4.31Å; L340-L352 WeakPolarHBondContact O-CD2 3.41Å; R343-L352 HydrophobicContact CB-CD2 4.17Å; R343-L352 HydrophobicContact CG-CD2 3.79Å; A344-L352 HydrophobicContact CB-CB 3.86Å; A344-L352 HydrophobicContact CB-CD2 3.94Å; A344-L352 HydrophobicContact CB-CG 3.97Å; N349-L352 HydrophobicContact CB-CB 4.17Å; N349-L352 PolarHBondContact OD1-N 3.3Å; L352-F354 VanDerWaalsContact C-N 3.33Å; L352-F354 PolarHBondContact O-N 3.48Å; L352-F355 HydrophobicContact CD1-CD1 4.34Å; L352-F355 PolarHBondContact O-N 3.42Å; L352-A356 WeakPolarHBondContact O-CB 3.38Å; L352-A356 PolarHBondContact O-N 2.98Å
353	A	98.2	Very high	98.1	Very high	32 Å²	32	50.7 Å²	50.7	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-43.9	175.1	0	0	0	0	0	111.4	A344 N349 N357	A344-A353 HydrophobicContact CB-CB 3.79Å; N349-A353 PolarHBondContact O-N 2.59Å; N349-A353 VanDerWaalsContact O-N 3.1Å; A353-N357 VanDerWaalsContact O-CG 3.3Å; A353-N357 PolarHBondContact O-N 3.12Å; A353-N357 VanDerWaalsContact O-N 3.12Å; A353-N357 PolarHBondContact O-ND2 2.95Å
354	F	97.9	Very high	98.1	Very high	83 Å²	83	51.9 Å²	51.9	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-47.9	175.3	177.8	-91.5	0	0	0	111.5	K350 E351 L352 A356 N357 A358 L409 A412 L414	K350-F354 WeakPolarHBondContact O-CB 3.44Å; K350-F354 PolarHBondContact O-N 2.89Å; E351-F354 PolarHBondContact O-N 3.2Å; L352-F354 VanDerWaalsContact C-N 3.33Å; L352-F354 PolarHBondContact O-N 3.48Å; F354-A356 PolarHBondContact O-N 3.31Å; F354-N357 PolarHBondContact O-N 3.19Å; F354-A358 HydrophobicContact CE1-CB 4.16Å; F354-A358 HydrophobicContact CZ-CB 4.41Å; F354-A358 VanDerWaalsContact O-CB 3.28Å; F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.89Å; F354-L409 HydrophobicContact CD1-CD2 4.47Å; F354-L409 HydrophobicContact CE1-CD2 3.99Å; F354-A412 HydrophobicContact CE1-CB 3.53Å; F354-A412 HydrophobicContact CE2-CB 4.35Å; F354-A412 HydrophobicContact CZ-CB 3.31Å; F354-L414 HydrophobicContact CD1-CD1 3.75Å; F354-L414 HydrophobicContact CE1-CD1 4.24Å; F354-L414 HydrophobicContact CG-CD1 4.45Å
355	F	98.4	Very high	98.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-47.8	178.4	167.4	-93.8	0	0	0	112.3	I5 L30 Y34 V35 L340 E351 L352 N357 A358 L359 L405 L409	I5-F355 HydrophobicContact CD1-CB 3.56Å; I5-F355 HydrophobicContact CD1-CD2 4.28Å; I5-F355 HydrophobicContact CD1-CG 4.01Å; L30-F355 VanDerWaalsContact O-CZ 3.24Å; L30-F355 WeakPolarHBondContact O-CZ 3.48Å; Y34-F355 AromaticContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CD2-CE2 3.86Å; Y34-F355 HydrophobicContact CG-CE2 4.01Å; V35-F355 HydrophobicContact CG2-CD1 3.59Å; V35-F355 HydrophobicContact CG2-CD2 4.22Å; V35-F355 HydrophobicContact CG2-CE1 3.52Å; V35-F355 HydrophobicContact CG2-CE2 4.16Å; V35-F355 HydrophobicContact CG2-CG 3.96Å; V35-F355 HydrophobicContact CG2-CZ 3.83Å; L340-F355 HydrophobicContact CD1-CD1 4.29Å; L340-F355 HydrophobicContact CD1-CE1 3.83Å; E351-F355 WeakPolarHBondContact O-CB 3.36Å; E351-F355 PolarHBondContact O-N 2.81Å; L352-F355 HydrophobicContact CD1-CD1 4.34Å; L352-F355 PolarHBondContact O-N 3.42Å; F355-N357 PolarHBondContact O-N 2.94Å; F355-A358 PolarHBondContact O-N 3.33Å; F355-L359 HydrophobicContact CE1-CD2 4.45Å; F355-L359 HydrophobicContact CZ-CD2 4.16Å; F355-L359 PolarHBondContact O-N 3.15Å; F355-L405 HydrophobicContact CE2-CD2 4.32Å; F355-L409 HydrophobicContact CD2-CD1 4Å; F355-L409 HydrophobicContact CD2-CD2 4.35Å; F355-L409 HydrophobicContact CE2-CD1 4.19Å
356	A	98.4	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-45.8	179.3	0	0	0	0	0	111.6	T337 L340 A341 L352 F354 L359 E360	T337-A356 WeakPolarHBondContact CG2-O 3.49Å; L340-A356 HydrophobicContact CB-CB 4.24Å; A341-A356 HydrophobicContact CB-CB 4.03Å; L352-A356 WeakPolarHBondContact O-CB 3.38Å; L352-A356 PolarHBondContact O-N 2.98Å; F354-A356 PolarHBondContact O-N 3.31Å; A356-L359 PolarHBondContact O-N 3.44Å; A356-E360 PolarHBondContact O-N 3.34Å
357	N	98.3	Very high	98.2	Very high	74 Å²	74	45.8 Å²	45.8	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-43.9	176.7	-69.8	-20.4	0	0	0	111.9	A353 F354 F355 L359 E360 E361	A353-N357 VanDerWaalsContact O-CG 3.3Å; A353-N357 PolarHBondContact O-N 3.12Å; A353-N357 VanDerWaalsContact O-N 3.12Å; A353-N357 PolarHBondContact O-ND2 2.95Å; F354-N357 PolarHBondContact O-N 3.19Å; F355-N357 PolarHBondContact O-N 2.94Å; N357-L359 VanDerWaalsContact C-N 3.28Å; N357-L359 PolarHBondContact O-N 3.15Å; N357-E360 PolarHBondContact O-N 2.68Å; N357-E361 WeakPolarHBondContact O-CG 3.35Å; N357-E361 PolarHBondContact O-N 3.24Å
358	A	98.3	Very high	98.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-37.3	179.4	0	0	0	0	0	111.8	F354 F355 E361 V362 K408 L409	F354-A358 HydrophobicContact CE1-CB 4.16Å; F354-A358 HydrophobicContact CZ-CB 4.41Å; F354-A358 VanDerWaalsContact O-CB 3.28Å; F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.89Å; F355-A358 PolarHBondContact O-N 3.33Å; A358-E361 PolarHBondContact O-N 3.19Å; A358-V362 WeakPolarHBondContact O-CB 3.44Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.19Å; A358-K408 HydrophobicContact CB-CD 4.31Å; A358-L409 HydrophobicContact CB-CD2 4.14Å
359	L	98.7	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-39.8	176.1	-179.5	50.6	0	0	0	112.6	L30 I333 T337 F355 A356 N357 S363 L405	L30-L359 HydrophobicContact CB-CD1 4.4Å; L30-L359 HydrophobicContact CB-CD2 4.23Å; L30-L359 HydrophobicContact CD1-CD1 4.27Å; I333-L359 HydrophobicContact CG2-CD1 4.13Å; I333-L359 HydrophobicContact CG2-CD2 4.04Å; I333-L359 HydrophobicContact CG2-CG 3.77Å; T337-L359 HydrophobicContact CG2-CB 3.82Å; T337-L359 HydrophobicContact CG2-CD2 3.69Å; T337-L359 HydrophobicContact CG2-CG 3.72Å; F355-L359 HydrophobicContact CE1-CD2 4.45Å; F355-L359 HydrophobicContact CZ-CD2 4.16Å; F355-L359 PolarHBondContact O-N 3.15Å; A356-L359 PolarHBondContact O-N 3.44Å; N357-L359 VanDerWaalsContact C-N 3.28Å; N357-L359 PolarHBondContact O-N 3.15Å; L359-S363 WeakPolarHBondContact O-CB 3.23Å; L359-S363 PolarHBondContact O-N 3.48Å; L359-S363 PolarHBondContact O-OG 3.19Å; L359-L405 HydrophobicContact CB-CD1 4.23Å; L359-L405 HydrophobicContact CD1-CD1 4.2Å; L359-L405 HydrophobicContact CD1-CD2 3.95Å
360	E	98.5	Very high	98.1	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-45.3	172.4	-69.9	-171.8	-170.8	0	0	111.4	F334 T337 R338 A356 N357 S363 I364	F334-E360 HydrophobicContact CD1-CG 3.8Å; F334-E360 HydrophobicContact CD2-CG 4.29Å; F334-E360 HydrophobicContact CE1-CB 3.81Å; F334-E360 VanDerWaalsContact CE1-CD 3.45Å; F334-E360 HydrophobicContact CE1-CG 3.52Å; F334-E360 WeakPolarHBondContact CE1-OE2 3.18Å; F334-E360 HydrophobicContact CE2-CB 4.15Å; F334-E360 HydrophobicContact CE2-CG 4.03Å; F334-E360 HydrophobicContact CG-CG 4.22Å; F334-E360 HydrophobicContact CZ-CB 3.57Å; F334-E360 HydrophobicContact CZ-CG 3.65Å; T337-E360 WeakPolarHBondContact CB-OE1 3.36Å; T337-E360 HydrophobicContact CG2-CG 3.96Å; T337-E360 WeakPolarHBondContact OG1-CG 3.34Å; T337-E360 PolarHBondContact OG1-OE1 3.25Å; R338-E360 IonicContact CZ-OE1 2.87Å; R338-E360 IonicContact CZ-OE2 2.95Å; R338-E360 IonicContact NE-OE1 3.82Å; R338-E360 IonicContact NH1-OE1 2.63Å; R338-E360 PolarHBondContact NH1-OE1 3.22Å; R338-E360 IonicContact NH1-OE2 3.8Å; R338-E360 PolarHBondContact NH1-OE2 2.93Å; R338-E360 IonicContact NH2-OE1 3.6Å; R338-E360 IonicContact NH2-OE2 2.6Å; R338-E360 PolarHBondContact NH2-OE2 2.98Å; A356-E360 PolarHBondContact O-N 3.34Å; N357-E360 PolarHBondContact O-N 2.68Å; E360-S363 WeakPolarHBondContact O-CB 3.46Å; E360-S363 PolarHBondContact O-N 3.31Å; E360-I364 PolarHBondContact O-N 2.87Å; E360-I364 VanDerWaalsContact O-N 3.12Å
361	E	98.2	Very high	98.1	Very high	95 Å²	95	38.1 Å²	38.1	44%	0.444	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-47.4	177.7	-72.6	176.7	-172.7	0	0	111.8	N357 A358 S363 I364 E365 K408	N357-E361 WeakPolarHBondContact O-CG 3.35Å; N357-E361 PolarHBondContact O-N 3.24Å; A358-E361 PolarHBondContact O-N 3.19Å; E361-S363 PolarHBondContact O-N 3.24Å; E361-I364 PolarHBondContact O-N 2.53Å; E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 VanDerWaalsContact O-CG 3.24Å; E361-E365 WeakPolarHBondContact O-CG 3.34Å; E361-E365 PolarHBondContact O-N 2.52Å; E361-K408 WeakPolarHBondContact OE2-CE 3.45Å; E361-K408 IonicContact OE2-NZ 2.87Å; E361-K408 PolarHBondContact OE2-NZ 2.93Å
362	V	98.4	Very high	98.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-40	176.8	165.4	0	0	0	0	111	A358 T366 L401 N404 L405 K408	A358-V362 WeakPolarHBondContact O-CB 3.44Å; A358-V362 WeakPolarHBondContact O-CG2 3.42Å; A358-V362 PolarHBondContact O-N 3.19Å; V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 3.31Å; V362-T366 PolarHBondContact O-OG1 2.75Å; V362-L401 HydrophobicContact CG1-CD2 4.33Å; V362-N404 HydrophobicContact CG1-CB 3.73Å; V362-L405 HydrophobicContact CG1-CB 4.25Å; V362-L405 HydrophobicContact CG2-CB 4.49Å; V362-L405 HydrophobicContact CG2-CD1 4.2Å; V362-K408 HydrophobicContact CG2-CB 3.92Å; V362-K408 HydrophobicContact CG2-CD 3.37Å; V362-K408 HydrophobicContact CG2-CG 4.29Å
363	S	98.2	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178.8	-62.5	0	0	0	0	111.3	L359 E360 E361 I367	L359-S363 WeakPolarHBondContact O-CB 3.23Å; L359-S363 PolarHBondContact O-N 3.48Å; L359-S363 PolarHBondContact O-OG 3.19Å; E360-S363 WeakPolarHBondContact O-CB 3.46Å; E360-S363 PolarHBondContact O-N 3.31Å; E361-S363 PolarHBondContact O-N 3.24Å; S363-I367 WeakPolarHBondContact O-CD1 3.29Å; S363-I367 WeakPolarHBondContact O-CG1 3.42Å; S363-I367 PolarHBondContact O-N 3.07Å
364	I	98.1	Very high	97.9	Very high	43 Å²	43	35.5 Å²	35.5	22%	0.221	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-49.7	177.1	-65.1	168.5	0	0	0	110.9	I112 F334 E360 E361 T366 I367 E368	I112-I364 HydrophobicContact CG2-CD1 4.16Å; I112-I364 HydrophobicContact CG2-CG1 4.01Å; F334-I364 HydrophobicContact CZ-CD1 4.29Å; F334-I364 HydrophobicContact CZ-CG1 4.36Å; E360-I364 PolarHBondContact O-N 2.87Å; E360-I364 VanDerWaalsContact O-N 3.12Å; E361-I364 PolarHBondContact O-N 2.53Å; I364-T366 VanDerWaalsContact C-N 3.29Å; I364-T366 PolarHBondContact O-N 3.27Å; I364-I367 PolarHBondContact O-N 3.01Å; I364-E368 HydrophobicContact CG2-CG 4.19Å; I364-E368 WeakPolarHBondContact O-CB 3.49Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 3.03Å
365	E	98.4	Very high	97.7	Very high	94 Å²	94	33.8 Å²	33.8	44%	0.439	18%	0.184	S	C	.	.	H	α-helix	trans	-59.9	-37.6	-178.8	-72.8	167.8	170.9	0	0	112	E361 E368 A369 K408	E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 VanDerWaalsContact O-CG 3.24Å; E361-E365 WeakPolarHBondContact O-CG 3.34Å; E361-E365 PolarHBondContact O-N 2.52Å; E365-E368 PolarHBondContact O-N 3.11Å; E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 2.74Å; E365-K408 IonicContact OE1-NZ 2.75Å; E365-K408 PolarHBondContact OE1-NZ 2.82Å; E365-K408 IonicContact OE2-NZ 2.92Å; E365-K408 PolarHBondContact OE2-NZ 2.85Å
366	T	98.6	Very high	97.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-44	177.5	-59.5	0	0	0	0	111.2	V362 I364 A369 F371 F397 K400 L401 N404	V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 3.31Å; V362-T366 PolarHBondContact O-OG1 2.75Å; I364-T366 VanDerWaalsContact C-N 3.29Å; I364-T366 PolarHBondContact O-N 3.27Å; T366-A369 PolarHBondContact O-N 2.75Å; T366-F371 CarbonylContact C-O 3.59Å; T366-F371 HydrophobicContact CG2-CB 3.76Å; T366-F371 PolarHBondContact O-N 2.93Å; T366-F371 VanDerWaalsContact O-N 3.13Å; T366-F371 VanDerWaalsContact O-O 3.12Å; T366-F397 HydrophobicContact CG2-CE2 3.91Å; T366-K400 HydrophobicContact CG2-CG 3.93Å; T366-L401 HydrophobicContact CG2-CD2 3.99Å; T366-N404 PolarHBondContact OG1-ND2 3Å
367	I	97.8	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-47.3	174.4	-65.9	165	0	0	0	110.1	C114 N116 I117 M290 I330 S363 I364 A369 G370 F371 M372 L376 F397	C114-I367 HydrophobicContact CB-CG2 3.99Å; N116-I367 PolarHBondContact ND2-O 3.4Å; I117-I367 HydrophobicContact CD1-CG2 4.04Å; I117-I367 HydrophobicContact CG1-CG2 4.08Å; M290-I367 HydrophobicContact CE-CD1 3.7Å; M290-I367 HydrophobicContact SD-CD1 4.12Å; I330-I367 HydrophobicContact CD1-CD1 3.77Å; I330-I367 HydrophobicContact CG1-CD1 3.93Å; S363-I367 WeakPolarHBondContact O-CD1 3.29Å; S363-I367 WeakPolarHBondContact O-CG1 3.42Å; S363-I367 PolarHBondContact O-N 3.07Å; I364-I367 PolarHBondContact O-N 3.01Å; I367-A369 PolarHBondContact O-N 2.94Å; I367-G370 PolarHBondContact O-N 3.07Å; I367-F371 WeakPolarHBondContact CA-O 3.41Å; I367-M372 HydrophobicContact CG2-CB 4.34Å; I367-L376 HydrophobicContact CD1-CD1 3.73Å; I367-L376 HydrophobicContact CG1-CD1 4.01Å; I367-L376 HydrophobicContact CG2-CD1 4.06Å; I367-F397 HydrophobicContact CD1-CZ 4.33Å; I367-F397 HydrophobicContact CG1-CE2 4.32Å; I367-F397 HydrophobicContact CG1-CZ 3.88Å
368	E	97.6	Very high	97.1	Very high	56 Å²	56	31.3 Å²	31.3	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-62.3	-28.7	179.3	-72.1	-170.4	171.5	0	0	112.7	C114 K115 I364 E365 G370	C114-E368 HydrophobicContact CB-CG 4.27Å; K115-E368 WeakPolarHBondContact CB-OE1 3.37Å; K115-E368 WeakPolarHBondContact CD-OE1 3.49Å; K115-E368 WeakPolarHBondContact CG-OE1 3.31Å; K115-E368 PolarHBondContact N-OE1 3.08Å; K115-E368 IonicContact NZ-OE2 2.85Å; K115-E368 PolarHBondContact NZ-OE2 2.88Å; I364-E368 HydrophobicContact CG2-CG 4.19Å; I364-E368 WeakPolarHBondContact O-CB 3.49Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 3.03Å; E365-E368 PolarHBondContact O-N 3.11Å; E368-G370 PolarHBondContact O-N 3.43Å
369	A	98	Very high	96.9	Very high	68 Å²	68	33.1 Å²	33.1	56%	0.562	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.8	172.7	0	0	0	0	0	114.2	E365 T366 I367 F371	E365-A369 VanDerWaalsContact O-CB 3.25Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 2.74Å; T366-A369 PolarHBondContact O-N 2.75Å; I367-A369 PolarHBondContact O-N 2.94Å; A369-F371 HydrophobicContact CB-CD2 4.04Å; A369-F371 HydrophobicContact CB-CE2 4.27Å
370	G	97.1	Very high	96.7	Very high	41 Å²	41	36.6 Å²	36.6	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-0.8	176.4	0	0	0	0	0	115	I367 E368	I367-G370 PolarHBondContact O-N 3.07Å; E368-G370 PolarHBondContact O-N 3.43Å
371	F	98.2	Very high	96.5	Very high	82 Å²	82	40.2 Å²	40.2	36%	0.36	22%	0.219	S	C	.	.			trans	-91	108.2	175.3	-57.6	-77.8	0	0	0	109.1	T366 I367 A369 L392 F397 K400	T366-F371 CarbonylContact C-O 3.59Å; T366-F371 HydrophobicContact CG2-CB 3.76Å; T366-F371 PolarHBondContact O-N 2.93Å; T366-F371 VanDerWaalsContact O-N 3.13Å; T366-F371 VanDerWaalsContact O-O 3.12Å; I367-F371 WeakPolarHBondContact CA-O 3.41Å; A369-F371 HydrophobicContact CB-CD2 4.04Å; A369-F371 HydrophobicContact CB-CE2 4.27Å; F371-L392 HydrophobicContact CB-CD1 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.07Å; F371-L392 HydrophobicContact CG-CD1 4.46Å; F371-F397 WeakPolarHBondContact O-CE2 3.49Å; F371-K400 HydrophobicContact CB-CG 4.12Å; F371-K400 HydrophobicContact CD1-CG 4.3Å; F371-K400 HydrophobicContact CD2-CG 4.39Å; F371-K400 HydrophobicContact CG-CG 4.02Å
372	M	97.4	Very high	96.2	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.044	21%	0.213	C	C	.	.			trans	-150.9	165.6	-173.3	67.5	-170.8	75.3	0	0	112.2	I117 I367 L376 A377 I380 Y391 L392	I117-M372 HydrophobicContact CD1-SD 4.13Å; I367-M372 HydrophobicContact CG2-CB 4.34Å; M372-L376 HydrophobicContact CB-CB 3.94Å; M372-L376 HydrophobicContact CB-CD1 4.03Å; M372-L376 HydrophobicContact CG-CB 4.04Å; M372-L376 HydrophobicContact SD-CB 3.84Å; M372-A377 HydrophobicContact CG-CB 4.37Å; M372-A377 HydrophobicContact SD-CB 4.4Å; M372-I380 HydrophobicContact CE-CD1 3.69Å; M372-I380 HydrophobicContact SD-CD1 3.5Å; M372-I380 VanDerWaalsContact SD-CD1 3.5Å; M372-Y391 CarbonylContact O-C 3.58Å; M372-Y391 WeakPolarHBondContact O-CA 3.49Å; M372-Y391 WeakPolarHBondContact O-CB 3.21Å; M372-L392 PolarHBondContact O-N 3.16Å
373	T	96.4	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.			trans	-79.5	167.2	174.4	47.2	0	0	0	0	112.4	S326 N328 D375 L376 A377 F397	S326-T373 WeakPolarHBondContact OG-CB 3.4Å; N328-T373 WeakPolarHBondContact CB-OG1 3.02Å; T373-D375 VanDerWaalsContact C-N 3.28Å; T373-D375 VanDerWaalsContact CB-OD1 3.23Å; T373-D375 WeakPolarHBondContact CB-OD1 3.38Å; T373-D375 PolarHBondContact O-N 2.9Å; T373-D375 PolarHBondContact OG1-OD1 2.98Å; T373-L376 PolarHBondContact O-N 2.67Å; T373-L376 VanDerWaalsContact O-N 3.16Å; T373-A377 PolarHBondContact O-N 3.46Å; T373-F397 HydrophobicContact CG2-CB 4.11Å; T373-F397 HydrophobicContact CG2-CD1 3.65Å; T373-F397 HydrophobicContact CG2-CE1 4.27Å; T373-F397 HydrophobicContact CG2-CG 3.96Å
374	K	95.1	Very high	95.7	Very high	80 Å²	80	48.7 Å²	48.7	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-34.4	-173.1	-171.1	177.6	-175.9	169.8	0	113.3	S326 A378 V386 Y391	S326-K374 WeakPolarHBondContact OG-CB 3.32Å; S326-K374 PolarHBondContact OG-N 3.17Å; K374-A378 VanDerWaalsContact O-CB 3.31Å; K374-A378 WeakPolarHBondContact O-CB 3.1Å; K374-A378 PolarHBondContact O-N 3.38Å; K374-V386 HydrophobicContact CG-CG1 4.08Å; K374-Y391 HydrophobicContact CB-CD1 4.04Å; K374-Y391 HydrophobicContact CB-CD2 3.71Å; K374-Y391 HydrophobicContact CB-CE1 4.24Å; K374-Y391 HydrophobicContact CB-CE2 3.93Å; K374-Y391 HydrophobicContact CB-CG 3.76Å; K374-Y391 HydrophobicContact CD-CD1 4.5Å; K374-Y391 HydrophobicContact CD-CE1 3.92Å; K374-Y391 HydrophobicContact CD-CE2 4.18Å; K374-Y391 HydrophobicContact CG-CD1 3.91Å; K374-Y391 HydrophobicContact CG-CD2 4.35Å; K374-Y391 HydrophobicContact CG-CE1 3.83Å; K374-Y391 HydrophobicContact CG-CE2 4.28Å; K374-Y391 HydrophobicContact CG-CG 4.17Å
375	D	92.8	Very high	95.6	Very high	47 Å²	47	51.9 Å²	51.9	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-45.5	176.3	63.8	-53.5	0	0	0	111.2	S287 N328 T373 A378 C379	S287-D375 PolarHBondContact OG-OD2 3.19Å; N328-D375 PolarHBondContact ND2-OD2 2.94Å; T373-D375 VanDerWaalsContact C-N 3.28Å; T373-D375 VanDerWaalsContact CB-OD1 3.23Å; T373-D375 WeakPolarHBondContact CB-OD1 3.38Å; T373-D375 PolarHBondContact O-N 2.9Å; T373-D375 PolarHBondContact OG1-OD1 2.98Å; D375-A378 WeakPolarHBondContact O-CB 3.13Å; D375-A378 PolarHBondContact O-N 2.95Å; D375-C379 PolarHBondContact O-N 3.08Å; D375-C379 PolarHBondContact O-SG 3.41Å
376	L	95	Very high	95.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-41.3	178.5	-62.5	-178.7	0	0	0	111.8	I117 M290 I367 M372 T373 A378 C379 I380	I117-L376 HydrophobicContact CD1-CB 3.87Å; I117-L376 HydrophobicContact CD1-CD2 4.24Å; I117-L376 HydrophobicContact CD1-CG 4.46Å; I117-L376 HydrophobicContact CG1-CD2 4.46Å; M290-L376 HydrophobicContact CG-CD2 3.7Å; M290-L376 HydrophobicContact SD-CD1 4.14Å; M290-L376 HydrophobicContact SD-CD2 4.09Å; I367-L376 HydrophobicContact CD1-CD1 3.73Å; I367-L376 HydrophobicContact CG1-CD1 4.01Å; I367-L376 HydrophobicContact CG2-CD1 4.06Å; M372-L376 HydrophobicContact CB-CB 3.94Å; M372-L376 HydrophobicContact CB-CD1 4.03Å; M372-L376 HydrophobicContact CG-CB 4.04Å; M372-L376 HydrophobicContact SD-CB 3.84Å; T373-L376 PolarHBondContact O-N 2.67Å; T373-L376 VanDerWaalsContact O-N 3.16Å; L376-A378 PolarHBondContact O-N 3.08Å; L376-C379 WeakPolarHBondContact O-CB 3.24Å; L376-C379 PolarHBondContact O-N 2.89Å; L376-C379 VanDerWaalsContact O-N 3.1Å; L376-I380 PolarHBondContact O-N 3.38Å
377	A	95.5	Very high	95.5	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-35.6	171.9	0	0	0	0	0	111.7	M372 T373 I380 K381 V386 D390	M372-A377 HydrophobicContact CG-CB 4.37Å; M372-A377 HydrophobicContact SD-CB 4.4Å; T373-A377 PolarHBondContact O-N 3.46Å; A377-I380 PolarHBondContact O-N 2.83Å; A377-K381 PolarHBondContact O-N 2.93Å; A377-V386 HydrophobicContact CB-CG1 4.11Å; A377-V386 HydrophobicContact CB-CG2 4.4Å; A377-D390 HydrophobicContact CB-CB 4.32Å
378	A	93.7	Very high	95.4	Very high	19 Å²	19	58.6 Å²	58.6	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-69.6	-31.3	175.2	0	0	0	0	0	113	K374 D375 L376 I380 G382 L383 V386	K374-A378 VanDerWaalsContact O-CB 3.31Å; K374-A378 WeakPolarHBondContact O-CB 3.1Å; K374-A378 PolarHBondContact O-N 3.38Å; D375-A378 WeakPolarHBondContact O-CB 3.13Å; D375-A378 PolarHBondContact O-N 2.95Å; L376-A378 PolarHBondContact O-N 3.08Å; A378-I380 PolarHBondContact O-N 2.78Å; A378-G382 WeakPolarHBondContact O-CA 3.4Å; A378-G382 PolarHBondContact O-N 3.41Å; A378-L383 HydrophobicContact CB-CB 4.38Å; A378-L383 HydrophobicContact CB-CD1 4.09Å; A378-V386 VanDerWaalsContact CA-CG2 3.49Å; A378-V386 HydrophobicContact CB-CG2 3.92Å
379	C	92.8	Very high	95.3	Very high	40 Å²	40	60.7 Å²	60.7	27%	0.27	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-35.5	170	-57.9	0	0	0	0	111.6	I117 G286 D375 L376	I117-C379 HydrophobicContact CG2-CB 4.06Å; G286-C379 PolarHBondContact O-SG 3.39Å; D375-C379 PolarHBondContact O-N 3.08Å; D375-C379 PolarHBondContact O-SG 3.41Å; L376-C379 WeakPolarHBondContact O-CB 3.24Å; L376-C379 PolarHBondContact O-N 2.89Å; L376-C379 VanDerWaalsContact O-N 3.1Å
380	I	94.2	Very high	95.3	Very high	73 Å²	73	59 Å²	59	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-79	-49.8	-178.6	-61.2	172	0	0	0	111.7	I117 P118 M372 L376 A377 A378	I117-I380 HydrophobicContact CD1-CD1 4.1Å; I117-I380 HydrophobicContact CD1-CG1 4.28Å; P118-I380 HydrophobicContact CG-CG1 4.48Å; M372-I380 HydrophobicContact CE-CD1 3.69Å; M372-I380 HydrophobicContact SD-CD1 3.5Å; M372-I380 VanDerWaalsContact SD-CD1 3.5Å; L376-I380 PolarHBondContact O-N 3.38Å; A377-I380 PolarHBondContact O-N 2.83Å; A378-I380 PolarHBondContact O-N 2.78Å
381	K	94.7	Very high	95.3	Very high	93 Å²	93	58.3 Å²	58.3	40%	0.404	31%	0.314	S	S	.	.	H	α-helix	trans	-103.2	-12.9	-168.5	-60.7	-168.6	179.6	-168.7	0	114.3	A377 N385 V386 D390	A377-K381 PolarHBondContact O-N 2.93Å; K381-N385 HydrophobicContact CB-CB 4.17Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-ND2 3.09Å; K381-V386 HydrophobicContact CB-CG2 4.32Å; K381-D390 WeakPolarHBondContact CD-OD2 3.31Å; K381-D390 IonicContact NZ-OD1 3.91Å; K381-D390 PolarHBondContact NZ-OD1 3.17Å; K381-D390 IonicContact NZ-OD2 2.93Å; K381-D390 PolarHBondContact NZ-OD2 2.9Å
382	G	92.7	Very high	95.3	Very high	31 Å²	31	56.2 Å²	56.2	32%	0.32	31%	0.306	S	S	.	.			trans	74.8	139	-163.5	0	0	0	0	0	111.3	A378 P384 N385	A378-G382 WeakPolarHBondContact O-CA 3.4Å; A378-G382 PolarHBondContact O-N 3.41Å; G382-P384 VanDerWaalsContact C-N 3.33Å; G382-P384 VanDerWaalsContact O-N 3.13Å; G382-N385 PolarHBondContact O-N 3.14Å
383	L	90.6	Very high	95.3	Very high	119 Å²	119	56.8 Å²	56.8	62%	0.623	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-50.1	-39.6	-173.4	-171.7	66	0	0	0	115.2	A378 N385 V386	A378-L383 HydrophobicContact CB-CB 4.38Å; A378-L383 HydrophobicContact CB-CD1 4.09Å; L383-N385 VanDerWaalsContact C-N 3.25Å; L383-N385 PolarHBondContact O-N 2.7Å; L383-V386 PolarHBondContact O-N 3.03Å
384	P	94.9	Very high	95.3	Very high	125 Å²	125	56.8 Å²	56.8	81%	0.812	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-65.3	-23.7	179.1	-23.2	35.7	0	0	0	114.8	G382	G382-P384 VanDerWaalsContact C-N 3.33Å; G382-P384 VanDerWaalsContact O-N 3.13Å
385	N	96.9	Very high	95.4	Very high	110 Å²	110	56.2 Å²	56.2	59%	0.588	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-99.7	-3.3	-174.7	-58	-43.2	0	0	0	113	K381 G382 L383 Q387	K381-N385 HydrophobicContact CB-CB 4.17Å; K381-N385 WeakPolarHBondContact O-CB 3.36Å; K381-N385 PolarHBondContact O-ND2 3.09Å; G382-N385 PolarHBondContact O-N 3.14Å; L383-N385 VanDerWaalsContact C-N 3.25Å; L383-N385 PolarHBondContact O-N 2.7Å; N385-Q387 PolarHBondContact O-N 3.1Å
386	V	96.6	Very high	95.7	Very high	20 Å²	20	57.5 Å²	57.5	12%	0.121	31%	0.312	C	S	.	.			trans	-74.9	119.7	-179.8	178.1	0	0	0	0	110.2	K374 A377 A378 K381 L383 D390 Y391	K374-V386 HydrophobicContact CG-CG1 4.08Å; A377-V386 HydrophobicContact CB-CG1 4.11Å; A377-V386 HydrophobicContact CB-CG2 4.4Å; A378-V386 VanDerWaalsContact CA-CG2 3.49Å; A378-V386 HydrophobicContact CB-CG2 3.92Å; K381-V386 HydrophobicContact CB-CG2 4.32Å; L383-V386 PolarHBondContact O-N 3.03Å; V386-D390 HydrophobicContact CG1-CB 4.35Å; V386-Y391 HydrophobicContact CG1-CD1 3.66Å; V386-Y391 HydrophobicContact CG1-CE1 3.92Å
387	Q	96.5	Very high	95.8	Very high	129 Å²	129	57.5 Å²	57.5	60%	0.603	31%	0.312	S	S	*	.			trans	-99.1	161.5	173.7	-61.1	-176.3	-16.5	0	0	111	N385 S389 D390 Y391	N385-Q387 PolarHBondContact O-N 3.1Å; Q387-S389 PolarHBondContact O-N 3.39Å; Q387-D390 PolarHBondContact N-OD2 3.05Å; Q387-D390 VanDerWaalsContact O-CB 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.47Å; Q387-D390 PolarHBondContact O-N 2.77Å; Q387-Y391 VanDerWaalsContact O-CD1 3.26Å; Q387-Y391 WeakPolarHBondContact O-CD1 3.46Å; Q387-Y391 WeakPolarHBondContact O-CE1 3.48Å
388	R	95.9	Very high	96	Very high	87 Å²	87	57.4 Å²	57.4	33%	0.328	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.8	-179.7	-179.1	57.3	-173.3	83.5	2	113	E324 D390 Y391 N393 E396	E324-R388 IonicContact OE1-CZ 2.64Å; E324-R388 IonicContact OE1-NE 3.34Å; E324-R388 PolarHBondContact OE1-NE 2.73Å; E324-R388 IonicContact OE1-NH2 3.12Å; E324-R388 PolarHBondContact OE1-NH2 2.88Å; E324-R388 WeakPolarHBondContact OE2-CD 3.18Å; E324-R388 IonicContact OE2-CZ 3.99Å; E324-R388 IonicContact OE2-NE 3.79Å; E324-R388 PolarHBondContact OE2-NE 3.46Å; R388-D390 PolarHBondContact O-N 3.04Å; R388-Y391 VanDerWaalsContact CD-CZ 3.48Å; R388-Y391 WeakPolarHBondContact CD-OH 3.29Å; R388-Y391 PolarHBondContact NH1-O 3.09Å; R388-Y391 VanDerWaalsContact O-O 3.13Å; R388-N393 PolarHBondContact NH2-ND2 3.32Å; R388-E396 IonicContact CZ-OE2 2.87Å; R388-E396 IonicContact NH1-OE2 3.89Å; R388-E396 IonicContact NH2-OE1 3.92Å; R388-E396 PolarHBondContact NH2-OE1 2.75Å; R388-E396 IonicContact NH2-OE2 3.82Å; R388-E396 PolarHBondContact NH2-OE2 2.83Å
389	S	96.6	Very high	96.2	Very high	100 Å²	100	60.3 Å²	60.3	70%	0.699	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.9	175.8	51.5	0	0	0	0	114.5	Q387	Q387-S389 PolarHBondContact O-N 3.39Å
390	D	96.8	Very high	96.5	Very high	33 Å²	33	60 Å²	60	18%	0.176	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8.8	-175.3	-61.5	-31	0	0	0	113.5	A377 K381 V386 Q387 R388	A377-D390 HydrophobicContact CB-CB 4.32Å; K381-D390 WeakPolarHBondContact CD-OD2 3.31Å; K381-D390 IonicContact NZ-OD1 3.91Å; K381-D390 PolarHBondContact NZ-OD1 3.17Å; K381-D390 IonicContact NZ-OD2 2.93Å; K381-D390 PolarHBondContact NZ-OD2 2.9Å; V386-D390 HydrophobicContact CG1-CB 4.35Å; Q387-D390 PolarHBondContact N-OD2 3.05Å; Q387-D390 VanDerWaalsContact O-CB 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.47Å; Q387-D390 PolarHBondContact O-N 2.77Å; R388-D390 PolarHBondContact O-N 3.04Å
391	Y	97.4	Very high	96.7	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.102	30%	0.3	C	S	.	.	S	Bend	trans	-144.7	161.5	-176.5	66.3	-88.7	0	0	0	111.5	M372 K374 V386 Q387 R388	M372-Y391 CarbonylContact O-C 3.58Å; M372-Y391 WeakPolarHBondContact O-CA 3.49Å; M372-Y391 WeakPolarHBondContact O-CB 3.21Å; K374-Y391 HydrophobicContact CB-CD1 4.04Å; K374-Y391 HydrophobicContact CB-CD2 3.71Å; K374-Y391 HydrophobicContact CB-CE1 4.24Å; K374-Y391 HydrophobicContact CB-CE2 3.93Å; K374-Y391 HydrophobicContact CB-CG 3.76Å; K374-Y391 HydrophobicContact CD-CD1 4.5Å; K374-Y391 HydrophobicContact CD-CE1 3.92Å; K374-Y391 HydrophobicContact CD-CE2 4.18Å; K374-Y391 HydrophobicContact CG-CD1 3.91Å; K374-Y391 HydrophobicContact CG-CD2 4.35Å; K374-Y391 HydrophobicContact CG-CE1 3.83Å; K374-Y391 HydrophobicContact CG-CE2 4.28Å; K374-Y391 HydrophobicContact CG-CG 4.17Å; V386-Y391 HydrophobicContact CG1-CD1 3.66Å; V386-Y391 HydrophobicContact CG1-CE1 3.92Å; Q387-Y391 VanDerWaalsContact O-CD1 3.26Å; Q387-Y391 WeakPolarHBondContact O-CD1 3.46Å; Q387-Y391 WeakPolarHBondContact O-CE1 3.48Å; R388-Y391 VanDerWaalsContact CD-CZ 3.48Å; R388-Y391 WeakPolarHBondContact CD-OH 3.29Å; R388-Y391 PolarHBondContact NH1-O 3.09Å; R388-Y391 VanDerWaalsContact O-O 3.13Å
392	L	98.2	Very high	96.8	Very high	37 Å²	37	52.8 Å²	52.8	19%	0.194	29%	0.288	C	S	.	.			trans	-97.9	142.2	166.9	-62.3	-176	0	0	0	109.4	S326 F371 M372 E396 F397 K400	S326-L392 PolarHBondContact OG-O 3.32Å; F371-L392 HydrophobicContact CB-CD1 3.96Å; F371-L392 HydrophobicContact CD1-CD1 4.07Å; F371-L392 HydrophobicContact CG-CD1 4.46Å; M372-L392 PolarHBondContact O-N 3.16Å; L392-E396 WeakPolarHBondContact CA-OE2 3.42Å; L392-E396 HydrophobicContact CB-CB 3.9Å; L392-E396 HydrophobicContact CD2-CB 4.18Å; L392-E396 HydrophobicContact CG-CB 4.42Å; L392-F397 HydrophobicContact CB-CB 3.87Å; L392-F397 HydrophobicContact CD1-CB 4.44Å; L392-F397 HydrophobicContact CD1-CD2 4.25Å; L392-K400 HydrophobicContact CD1-CB 3.94Å; L392-K400 HydrophobicContact CD1-CG 4.29Å
393	N	97.5	Very high	97.1	Very high	22 Å²	22	56 Å²	56	12%	0.118	29%	0.294	C	S	.	.			trans	-68.3	170.3	169.2	76.7	34	0	0	0	110.4	E324 T325 R388 F395 E396 F397	E324-N393 HydrophobicContact CG-CB 3.69Å; E324-N393 VanDerWaalsContact OE1-CB 3.3Å; E324-N393 WeakPolarHBondContact OE1-CB 3.36Å; E324-N393 PolarHBondContact OE1-ND2 3.16Å; T325-N393 CarbonylContact O-C 3.56Å; T325-N393 WeakPolarHBondContact O-CA 3.47Å; T325-N393 VanDerWaalsContact O-CB 3.25Å; T325-N393 WeakPolarHBondContact O-CB 3.5Å; R388-N393 PolarHBondContact NH2-ND2 3.32Å; N393-F395 PolarHBondContact O-N 3.14Å; N393-F395 VanDerWaalsContact O-N 3.14Å; N393-F395 PolarHBondContact OD1-N 3.3Å; N393-E396 VanDerWaalsContact CG-CD 3.45Å; N393-E396 PolarHBondContact N-OE2 3.33Å; N393-E396 VanDerWaalsContact ND2-CD 3.28Å; N393-E396 PolarHBondContact ND2-OE1 2.75Å; N393-E396 PolarHBondContact O-N 3.43Å; N393-E396 WeakPolarHBondContact OD1-CG 3.24Å; N393-E396 PolarHBondContact OD1-N 2.74Å; N393-F397 WeakPolarHBondContact O-CB 3.38Å; N393-F397 PolarHBondContact O-N 3.06Å
394	T	96.7	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-51.5	-41.8	-175	-50.1	0	0	0	0	112.4	M18 I22 T325 S326 T327 M398	M18-T394 HydrophobicContact CE-CG2 3.9Å; I22-T394 HydrophobicContact CD1-CG2 3.66Å; I22-T394 HydrophobicContact CG1-CG2 3.61Å; T325-T394 PolarHBondContact O-N 3.18Å; T325-T394 PolarHBondContact O-OG1 3.1Å; T325-T394 PolarHBondContact OG1-OG1 2.8Å; S326-T394 WeakPolarHBondContact CA-OG1 3.32Å; S326-T394 PolarHBondContact N-OG1 3.13Å; T327-T394 PolarHBondContact N-OG1 3.08Å; T394-M398 WeakPolarHBondContact O-CB 3.45Å; T394-M398 PolarHBondContact O-N 3.4Å
395	F	97.8	Very high	97.6	Very high	67 Å²	67	46 Å²	46	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-81	-44.6	-173.6	-56.8	-87.7	0	0	0	111.4	M18 I21 L25 Y319 N393 F397 M398 D399	M18-F395 HydrophobicContact CE-CZ 4.38Å; I21-F395 HydrophobicContact CG2-CE1 4.43Å; L25-F395 HydrophobicContact CD1-CD1 3.65Å; L25-F395 HydrophobicContact CD1-CE1 3.64Å; Y319-F395 HydrophobicContact CD2-CE2 4.35Å; Y319-F395 AromaticContact CD2-CZ 3.87Å; Y319-F395 HydrophobicContact CD2-CZ 3.87Å; Y319-F395 AromaticContact CE2-CZ 3.69Å; Y319-F395 HydrophobicContact CE2-CZ 3.69Å; N393-F395 PolarHBondContact O-N 3.14Å; N393-F395 VanDerWaalsContact O-N 3.14Å; N393-F395 PolarHBondContact OD1-N 3.3Å; F395-F397 VanDerWaalsContact C-N 3.28Å; F395-F397 PolarHBondContact O-N 3.3Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.45Å; F395-D399 PolarHBondContact O-N 3.5Å
396	E	98.3	Very high	97.6	Very high	74 Å²	74	47.5 Å²	47.5	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-57.7	-41.7	173.8	-71	166.8	173.5	0	0	111.6	R388 L392 N393 D399 K400	R388-E396 IonicContact CZ-OE2 2.87Å; R388-E396 IonicContact NH1-OE2 3.89Å; R388-E396 IonicContact NH2-OE1 3.92Å; R388-E396 PolarHBondContact NH2-OE1 2.75Å; R388-E396 IonicContact NH2-OE2 3.82Å; R388-E396 PolarHBondContact NH2-OE2 2.83Å; L392-E396 WeakPolarHBondContact CA-OE2 3.42Å; L392-E396 HydrophobicContact CB-CB 3.9Å; L392-E396 HydrophobicContact CD2-CB 4.18Å; L392-E396 HydrophobicContact CG-CB 4.42Å; N393-E396 VanDerWaalsContact CG-CD 3.45Å; N393-E396 PolarHBondContact N-OE2 3.33Å; N393-E396 VanDerWaalsContact ND2-CD 3.28Å; N393-E396 PolarHBondContact ND2-OE1 2.75Å; N393-E396 PolarHBondContact O-N 3.43Å; N393-E396 WeakPolarHBondContact OD1-CG 3.24Å; N393-E396 PolarHBondContact OD1-N 2.74Å; E396-D399 PolarHBondContact O-N 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.35Å; E396-K400 PolarHBondContact O-N 2.91Å
397	F	98.3	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-42.9	177.8	-173.7	-124.6	0	0	0	111.5	P329 I330 T366 I367 F371 T373 L392 N393 F395 D399 K400 L401	P329-F397 HydrophobicContact CG-CD1 3.65Å; P329-F397 HydrophobicContact CG-CE1 3.78Å; I330-F397 HydrophobicContact CD1-CE1 3.96Å; I330-F397 HydrophobicContact CD1-CZ 4Å; I330-F397 HydrophobicContact CG1-CE1 4.07Å; I330-F397 HydrophobicContact CG1-CZ 4.41Å; T366-F397 HydrophobicContact CG2-CE2 3.91Å; I367-F397 HydrophobicContact CD1-CZ 4.33Å; I367-F397 HydrophobicContact CG1-CE2 4.32Å; I367-F397 HydrophobicContact CG1-CZ 3.88Å; F371-F397 WeakPolarHBondContact O-CE2 3.49Å; T373-F397 HydrophobicContact CG2-CB 4.11Å; T373-F397 HydrophobicContact CG2-CD1 3.65Å; T373-F397 HydrophobicContact CG2-CE1 4.27Å; T373-F397 HydrophobicContact CG2-CG 3.96Å; L392-F397 HydrophobicContact CB-CB 3.87Å; L392-F397 HydrophobicContact CD1-CB 4.44Å; L392-F397 HydrophobicContact CD1-CD2 4.25Å; N393-F397 WeakPolarHBondContact O-CB 3.38Å; N393-F397 PolarHBondContact O-N 3.06Å; F395-F397 VanDerWaalsContact C-N 3.28Å; F395-F397 PolarHBondContact O-N 3.3Å; F397-D399 VanDerWaalsContact C-N 3.32Å; F397-D399 PolarHBondContact O-N 2.99Å; F397-K400 PolarHBondContact O-N 3.38Å; F397-L401 HydrophobicContact CD1-CD1 4.04Å; F397-L401 HydrophobicContact CE1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CG 4.4Å; F397-L401 HydrophobicContact CE2-CD2 4.39Å; F397-L401 HydrophobicContact CE2-CG 4.31Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.5Å; F397-L401 PolarHBondContact O-N 2.92Å
398	M	98.2	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-41.9	174.8	-168.9	65.7	66.1	0	0	112.2	I22 L25 I26 K29 L30 P329 T394 F395 L401 G402	I22-M398 HydrophobicContact CG2-CE 3.97Å; L25-M398 HydrophobicContact CB-CE 4.22Å; L25-M398 HydrophobicContact CB-CG 4.18Å; I26-M398 HydrophobicContact CD1-CE 4.46Å; I26-M398 HydrophobicContact CG1-CE 3.58Å; I26-M398 HydrophobicContact CG1-SD 4.11Å; K29-M398 HydrophobicContact CB-CG 4.42Å; K29-M398 HydrophobicContact CD-CB 4.46Å; K29-M398 HydrophobicContact CD-CG 3.63Å; L30-M398 HydrophobicContact CD1-SD 3.5Å; L30-M398 WeakPolarHBondContact CD1-SD 3.34Å; L30-M398 HydrophobicContact CG-SD 3.98Å; P329-M398 HydrophobicContact CB-CE 3.59Å; P329-M398 HydrophobicContact CG-CE 3.98Å; T394-M398 WeakPolarHBondContact O-CB 3.45Å; T394-M398 PolarHBondContact O-N 3.4Å; F395-M398 WeakPolarHBondContact O-CB 3.27Å; F395-M398 PolarHBondContact O-N 3.45Å; M398-L401 PolarHBondContact O-N 3.38Å; M398-G402 PolarHBondContact O-N 3.11Å
399	D	98.4	Very high	97.6	Very high	80 Å²	80	41.9 Å²	41.9	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-42.3	175.8	-74.1	-22.5	0	0	0	111.5	K29 F395 E396 F397 L401 G402 E403	K29-D399 VanDerWaalsContact CE-OD1 3.29Å; K29-D399 WeakPolarHBondContact CE-OD1 3.49Å; K29-D399 IonicContact NZ-OD1 2.88Å; K29-D399 PolarHBondContact NZ-OD1 2.97Å; F395-D399 PolarHBondContact O-N 3.5Å; E396-D399 PolarHBondContact O-N 3.32Å; F397-D399 VanDerWaalsContact C-N 3.32Å; F397-D399 PolarHBondContact O-N 2.99Å; D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.23Å; D399-G402 PolarHBondContact O-N 2.81Å; D399-E403 PolarHBondContact O-N 3.02Å
400	K	98.6	Very high	97.5	Very high	34 Å²	34	40.3 Å²	40.3	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-39.6	178	-170.5	52.7	172	170.5	0	112.4	T366 F371 L392 E396 F397 E403 N404	T366-K400 HydrophobicContact CG2-CG 3.93Å; F371-K400 HydrophobicContact CB-CG 4.12Å; F371-K400 HydrophobicContact CD1-CG 4.3Å; F371-K400 HydrophobicContact CD2-CG 4.39Å; F371-K400 HydrophobicContact CG-CG 4.02Å; L392-K400 HydrophobicContact CD1-CB 3.94Å; L392-K400 HydrophobicContact CD1-CG 4.29Å; E396-K400 WeakPolarHBondContact O-CB 3.35Å; E396-K400 PolarHBondContact O-N 2.91Å; F397-K400 PolarHBondContact O-N 3.38Å; K400-E403 WeakPolarHBondContact CD-OE2 3.46Å; K400-E403 IonicContact NZ-OE1 2.7Å; K400-E403 PolarHBondContact NZ-OE1 2.99Å; K400-E403 IonicContact NZ-OE2 2.8Å; K400-E403 PolarHBondContact NZ-OE2 3.32Å; K400-E403 PolarHBondContact O-N 2.93Å; K400-N404 WeakPolarHBondContact O-CB 3.07Å; K400-N404 PolarHBondContact O-N 2.95Å
401	L	98.7	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-44.3	172.9	-69.9	171.2	0	0	0	111.5	L30 P329 I333 V362 T366 F397 M398 D399 E403 N404 L405	L30-L401 HydrophobicContact CD2-CB 4.13Å; P329-L401 HydrophobicContact CG-CD1 4.31Å; I333-L401 HydrophobicContact CD1-CD1 3.56Å; V362-L401 HydrophobicContact CG1-CD2 4.33Å; T366-L401 HydrophobicContact CG2-CD2 3.99Å; F397-L401 HydrophobicContact CD1-CD1 4.04Å; F397-L401 HydrophobicContact CE1-CD1 3.75Å; F397-L401 HydrophobicContact CE1-CG 4.4Å; F397-L401 HydrophobicContact CE2-CD2 4.39Å; F397-L401 HydrophobicContact CE2-CG 4.31Å; F397-L401 HydrophobicContact CZ-CD1 4.02Å; F397-L401 HydrophobicContact CZ-CD2 4.2Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.5Å; F397-L401 PolarHBondContact O-N 2.92Å; M398-L401 PolarHBondContact O-N 3.38Å; D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.23Å; L401-E403 PolarHBondContact O-N 3.41Å; L401-N404 PolarHBondContact O-N 3.2Å; L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 PolarHBondContact O-N 2.87Å
402	G	98.3	Very high	96.8	Very high	14 Å²	14	46.8 Å²	46.8	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-40.9	177.2	0	0	0	0	0	113.3	M398 D399 K406	M398-G402 PolarHBondContact O-N 3.11Å; D399-G402 PolarHBondContact O-N 2.81Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 2.93Å
403	E	98.2	Very high	96	Very high	98 Å²	98	54.5 Å²	54.5	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-53	174	-174.9	-161.7	146.9	0	0	111.2	D399 K400 L401 L405 K406 I407	D399-E403 PolarHBondContact O-N 3.02Å; K400-E403 WeakPolarHBondContact CD-OE2 3.46Å; K400-E403 IonicContact NZ-OE1 2.7Å; K400-E403 PolarHBondContact NZ-OE1 2.99Å; K400-E403 IonicContact NZ-OE2 2.8Å; K400-E403 PolarHBondContact NZ-OE2 3.32Å; K400-E403 PolarHBondContact O-N 2.93Å; L401-E403 PolarHBondContact O-N 3.41Å; E403-L405 PolarHBondContact O-N 3.4Å; E403-K406 PolarHBondContact O-N 3.38Å; E403-I407 HydrophobicContact CG-CD1 4.44Å; E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 2.88Å
404	N	98.4	Very high	94.8	Very high	35 Å²	35	56.9 Å²	56.9	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-38.2	-177.6	-70.6	-9.8	0	0	0	111.8	V362 T366 K400 L401 I407 K408	V362-N404 HydrophobicContact CG1-CB 3.73Å; T366-N404 PolarHBondContact OG1-ND2 3Å; K400-N404 WeakPolarHBondContact O-CB 3.07Å; K400-N404 PolarHBondContact O-N 2.95Å; L401-N404 PolarHBondContact O-N 3.2Å; N404-I407 PolarHBondContact O-N 2.83Å; N404-K408 PolarHBondContact O-N 3.07Å
405	L	98.1	Very high	94.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-46	175.9	-179.2	64.7	0	0	0	111.5	L30 Y34 F355 L359 V362 L401 E403 I407 K408 L409	L30-L405 HydrophobicContact CB-CD2 4.34Å; L30-L405 HydrophobicContact CD2-CD2 4.23Å; Y34-L405 HydrophobicContact CD2-CD2 4.08Å; Y34-L405 HydrophobicContact CE2-CD2 3.63Å; Y34-L405 HydrophobicContact CE2-CG 4.24Å; F355-L405 HydrophobicContact CE2-CD2 4.32Å; L359-L405 HydrophobicContact CB-CD1 4.23Å; L359-L405 HydrophobicContact CD1-CD1 4.2Å; L359-L405 HydrophobicContact CD1-CD2 3.95Å; V362-L405 HydrophobicContact CG1-CB 4.25Å; V362-L405 HydrophobicContact CG2-CB 4.49Å; V362-L405 HydrophobicContact CG2-CD1 4.2Å; L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 PolarHBondContact O-N 2.87Å; E403-L405 PolarHBondContact O-N 3.4Å; L405-I407 VanDerWaalsContact C-N 3.27Å; L405-I407 PolarHBondContact O-N 3.17Å; L405-K408 PolarHBondContact O-N 3.39Å; L405-L409 HydrophobicContact CD1-CD1 3.97Å; L405-L409 HydrophobicContact CD1-CD2 4.48Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CG-CD1 3.9Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 3.33Å
406	K	96.8	Very high	94.6	Very high	142 Å²	142	59.3 Å²	59.3	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-57.4	-42.1	177.2	-173.9	-179.3	178.7	-178.2	0	111.6	Y34 G402 E403 A410	Y34-K406 WeakPolarHBondContact OH-CB 3.38Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 2.93Å; E403-K406 PolarHBondContact O-N 3.38Å; K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.86Å; K406-A410 VanDerWaalsContact O-N 3.07Å
407	I	96.9	Very high	94.4	Very high	78 Å²	78	58.5 Å²	58.5	40%	0.4	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-49.1	177.4	-66.3	166.2	0	0	0	110.4	E403 N404 L405 L409 A410 Q411	E403-I407 HydrophobicContact CG-CD1 4.44Å; E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 2.88Å; N404-I407 PolarHBondContact O-N 2.83Å; L405-I407 VanDerWaalsContact C-N 3.27Å; L405-I407 PolarHBondContact O-N 3.17Å; I407-L409 PolarHBondContact O-N 2.88Å; I407-A410 PolarHBondContact O-N 2.87Å; I407-Q411 WeakPolarHBondContact O-CG 3.14Å; I407-Q411 PolarHBondContact O-N 3.09Å
408	K	96.5	Very high	94.1	Very high	36 Å²	36	61.9 Å²	61.9	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-43.9	-177.5	-166.8	172.6	-173.9	125.8	0	112.4	A358 E361 V362 E365 N404 L405 Q411 A412	A358-K408 HydrophobicContact CB-CD 4.31Å; E361-K408 WeakPolarHBondContact OE2-CE 3.45Å; E361-K408 IonicContact OE2-NZ 2.87Å; E361-K408 PolarHBondContact OE2-NZ 2.93Å; V362-K408 HydrophobicContact CG2-CB 3.92Å; V362-K408 HydrophobicContact CG2-CD 3.37Å; V362-K408 HydrophobicContact CG2-CG 4.29Å; E365-K408 IonicContact OE1-NZ 2.75Å; E365-K408 PolarHBondContact OE1-NZ 2.82Å; E365-K408 IonicContact OE2-NZ 2.92Å; E365-K408 PolarHBondContact OE2-NZ 2.85Å; N404-K408 PolarHBondContact O-N 3.07Å; L405-K408 PolarHBondContact O-N 3.39Å; K408-Q411 PolarHBondContact O-N 2.8Å; K408-A412 PolarHBondContact O-N 3.21Å; K408-A412 VanDerWaalsContact O-N 3.12Å
409	L	95.2	Very high	93.9	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-41.4	177.4	-65.3	179.2	0	0	0	111.8	Y34 F354 F355 A358 L405 I407 Q411 A412 K413 L414	Y34-L409 HydrophobicContact CD1-CD1 3.46Å; Y34-L409 VanDerWaalsContact CD1-CD1 3.46Å; Y34-L409 HydrophobicContact CD2-CD1 4.13Å; Y34-L409 HydrophobicContact CE1-CD1 3.65Å; Y34-L409 HydrophobicContact CE2-CD1 4.3Å; Y34-L409 HydrophobicContact CG-CD1 3.71Å; F354-L409 HydrophobicContact CD1-CD2 4.47Å; F354-L409 HydrophobicContact CE1-CD2 3.99Å; F355-L409 HydrophobicContact CD2-CD1 4Å; F355-L409 HydrophobicContact CD2-CD2 4.35Å; F355-L409 HydrophobicContact CE2-CD1 4.19Å; A358-L409 HydrophobicContact CB-CD2 4.14Å; L405-L409 HydrophobicContact CD1-CD1 3.97Å; L405-L409 HydrophobicContact CD1-CD2 4.48Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CG-CD1 3.9Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 3.33Å; I407-L409 PolarHBondContact O-N 2.88Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; L409-Q411 PolarHBondContact O-N 2.86Å; L409-A412 CarbonylContact O-C 3.55Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-A412 VanDerWaalsContact O-N 3.13Å; L409-K413 PolarHBondContact O-N 2.79Å; L409-K413 VanDerWaalsContact O-N 3.15Å; L409-L414 PolarHBondContact O-N 2.81Å
410	A	93.5	Very high	93.6	Very high	68 Å²	68	64.9 Å²	64.9	56%	0.562	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-38.7	175.9	0	0	0	0	0	112.7	K406 I407 A412 K413	K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.86Å; K406-A410 VanDerWaalsContact O-N 3.07Å; I407-A410 PolarHBondContact O-N 2.87Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A410-K413 PolarHBondContact O-N 3.19Å; A410-K413 VanDerWaalsContact O-N 3.16Å
411	Q	91.9	Very high	93.2	Very high	151 Å²	151	67.1 Å²	67.1	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-65.8	-35.3	175.2	-72.2	173	-4.2	0	0	112.4	I407 K408 L409 K413	I407-Q411 WeakPolarHBondContact O-CG 3.14Å; I407-Q411 PolarHBondContact O-N 3.09Å; K408-Q411 PolarHBondContact O-N 2.8Å; L409-Q411 VanDerWaalsContact C-N 3.33Å; L409-Q411 PolarHBondContact O-N 2.86Å; Q411-K413 PolarHBondContact O-N 3.42Å
412	A	88.9	Confident	92.8	Very high	44 Å²	44	72.2 Å²	72.2	36%	0.364	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-3.3	174.8	0	0	0	0	0	113.9	F354 K408 L409 A410 L414	F354-A412 HydrophobicContact CE1-CB 3.53Å; F354-A412 HydrophobicContact CE2-CB 4.35Å; F354-A412 HydrophobicContact CZ-CB 3.31Å; K408-A412 PolarHBondContact O-N 3.21Å; K408-A412 VanDerWaalsContact O-N 3.12Å; L409-A412 CarbonylContact O-C 3.55Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-A412 VanDerWaalsContact O-N 3.13Å; A410-A412 VanDerWaalsContact C-N 3.32Å; A412-L414 VanDerWaalsContact C-N 3.29Å; A412-L414 PolarHBondContact O-N 2.91Å
413	K	81.3	Confident	92.3	Very high	198 Å²	198	77.1 Å²	77.1	86%	0.861	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	36.5	-174.5	-53.7	178.8	179.6	177.5	0	113.2	L409 A410 Q411	L409-K413 PolarHBondContact O-N 2.79Å; L409-K413 VanDerWaalsContact O-N 3.15Å; A410-K413 PolarHBondContact O-N 3.19Å; A410-K413 VanDerWaalsContact O-N 3.16Å; Q411-K413 PolarHBondContact O-N 3.42Å
414	L	72.3	Confident	91.8	Very high	72 Å²	72	75.2 Å²	75.2	38%	0.377	39%	0.386	S	S	.	.			trans	-103.6	0	175.2	-133.2	118.2	0	0	0	111.8	I5 F354 L409 A412	I5-L414 HydrophobicContact CD1-CD2 3.32Å; I5-L414 HydrophobicContact CG1-CD2 3.8Å; F354-L414 HydrophobicContact CD1-CD1 3.75Å; F354-L414 HydrophobicContact CE1-CD1 4.24Å; F354-L414 HydrophobicContact CG-CD1 4.45Å; L409-L414 PolarHBondContact O-N 2.81Å; A412-L414 VanDerWaalsContact C-N 3.29Å; A412-L414 PolarHBondContact O-N 2.91Å

Retrieved 414 of 414 residues in 1235.2 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).