RHEB_HUMAN Loading...

GTP-binding protein Rheb

Small GTPase that acts as an allosteric activator of the canonical mTORC1 complex, an evolutionarily conserved central nutrient sensor that stimulates anabolic reactions and macromolecule biosynthesis to promote cellular biomass generation and growth^{1,2,3,4,5,6,7,8,9,10,11,12,13,14,15}. In response to nutrients, growth factors or amino acids, specifically activates the protein kinase activity of MTOR, the catalytic component of the mTORC1 complex: acts by causing a conformational change that allows the alignment of residues in the active site of MTOR, thereby enhancing the phosphorylation of ribosomal protein S6 kinase (RPS6KB1 and RPS6KB2) and EIF4EBP1 (4E-BP1)^16,17. RHEB is also required for localization of the TSC-TBC complex to lysosomal membranes¹⁸. In response to starvation, RHEB is inactivated by the TSC-TBC complex, preventing activation of mTORC1^19,20. Has low intrinsic GTPase activity²¹.

AlphaFold DB , UniProt , Accession Q15382, Species HUMAN (Homo sapiens, Human), Gene RHEB, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.5	Low	91.1	Very high	226 Å²	226	64.5 Å²	64.5	100%	1.113	33%	0.334	S	S	*	.				0	144.8	0	-73.2	173.9	160.9	0	0	107.8
2	P	78.5	Confident	91.7	Very high	70 Å²	70	59.2 Å²	59.2	46%	0.455	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.7	153.9	173.4	28.6	-34.7	0	0	0	110.1	S4	P2-S4 PolarHBondContact O-N 3.35Å
3	Q	88.9	Confident	92.2	Very high	177 Å²	177	54.6 Å²	54.6	83%	0.827	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-57.4	134.5	175.4	-177.2	178.7	2.8	0	0	109.7	K5 Q52	Q3-K5 PolarHBondContact O-N 3.28Å; Q3-Q52 PolarHBondContact O-NE2 2.93Å
4	S	91.5	Very high	92.6	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.7	134.7	178.7	-156.4	0	0	0	0	110.7	P2 E53 H55	P2-S4 PolarHBondContact O-N 3.35Å; S4-E53 VanDerWaalsContact CB-OE1 3.24Å; S4-E53 WeakPolarHBondContact CB-OE1 3.46Å; S4-E53 WeakPolarHBondContact OG-CG 3.45Å; S4-E53 PolarHBondContact OG-O 3.48Å; S4-E53 PolarHBondContact OG-OE1 3.33Å; S4-H55 PolarHBondContact OG-CD2 3.26Å; S4-H55 PolarHBondContact OG-NE2 2.77Å
5	K	95.5	Very high	92.8	Very high	72 Å²	72	59.5 Å²	59.5	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.3	-180	-67.2	-174.6	-175.9	-172.2	0	109.9	Q3 Q52 E53 Y54 H55 E168	Q3-K5 PolarHBondContact O-N 3.28Å; K5-Q52 HydrophobicContact CD-CG 4.2Å; K5-Q52 HydrophobicContact CG-CG 4.4Å; K5-E53 PolarHBondContact N-O 3.49Å; K5-Y54 HydrophobicContact CB-CD1 3.83Å; K5-Y54 HydrophobicContact CB-CE1 4Å; K5-Y54 HydrophobicContact CD-CE1 3.98Å; K5-Y54 CarbonylContact O-C 3.5Å; K5-Y54 VanDerWaalsContact O-CA 3.23Å; K5-Y54 WeakPolarHBondContact O-CA 3.49Å; K5-H55 PolarHBondContact O-N 3.41Å; K5-E168 IonicContact NZ-OE2 3.51Å; K5-E168 PolarHBondContact NZ-OE2 2.96Å
6	S	96.5	Very high	93	Very high	65 Å²	65	58.9 Å²	58.9	46%	0.455	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.9	169.5	-168.7	0	0	0	0	110.6	H55	S6-H55 WeakPolarHBondContact CA-O 3.45Å; S6-H55 PolarHBondContact OG-O 3.28Å
7	R	96.9	Very high	93.2	Very high	25 Å²	25	55.6 Å²	55.6	9%	0.094	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.7	173.6	-62.7	-71.2	175.4	-111.6	17.3	109.9	Y54 H55 L56 Q57 N79 E168 D171	R7-Y54 HydrophobicContact CG-CD1 3.75Å; R7-Y54 HydrophobicContact CG-CE1 4.3Å; R7-H55 PolarHBondContact N-O 3.41Å; R7-L56 HydrophobicContact CB-CD2 3.79Å; R7-L56 CarbonylContact O-C 3.51Å; R7-L56 VanDerWaalsContact O-CA 3.28Å; R7-L56 WeakPolarHBondContact O-CA 3.4Å; R7-Q57 PolarHBondContact O-N 3.33Å; R7-N79 VanDerWaalsContact CA-OD1 3.29Å; R7-N79 WeakPolarHBondContact CA-OD1 3.49Å; R7-E168 IonicContact CZ-OE1 3.61Å; R7-E168 IonicContact NE-OE1 2.66Å; R7-E168 PolarHBondContact NE-OE1 3.4Å; R7-E168 IonicContact NH2-OE1 3.53Å; R7-E168 PolarHBondContact NH2-OE1 3.03Å; R7-E168 IonicContact NH2-OE2 2.72Å; R7-D171 IonicContact CZ-OD2 2.88Å; R7-D171 IonicContact NH2-OD2 3.89Å; R7-D171 PolarHBondContact NH2-OD2 2.92Å
8	K	97.6	Very high	93.4	Very high	40 Å²	40	53.2 Å²	53.2	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.1	173	-171.1	-179.5	174.9	-166.8	0	109.7	Q57 V59 I76 D77 I78 N79 G80	K8-Q57 CarbonylContact C-O 3.51Å; K8-Q57 VanDerWaalsContact CA-O 3.31Å; K8-Q57 WeakPolarHBondContact CA-O 3.33Å; K8-Q57 HydrophobicContact CB-CB 4.23Å; K8-Q57 HydrophobicContact CG-CB 3.99Å; K8-V59 HydrophobicContact CG-CG2 4.17Å; K8-I76 PolarHBondContact NZ-O 3.23Å; K8-D77 WeakPolarHBondContact CB-O 3.2Å; K8-D77 HydrophobicContact CD-CB 4.33Å; K8-I78 HydrophobicContact CD-CD1 3.77Å; K8-I78 HydrophobicContact CG-CD1 3.74Å; K8-N79 PolarHBondContact N-OD1 2.97Å; K8-N79 PolarHBondContact O-N 2.97Å; K8-G80 PolarHBondContact O-N 3.01Å
9	I	98.3	Very high	93.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	-176.4	-53.2	-60.5	0	0	0	108.7	Q57 L58 V59 G80 I82 I163	I9-Q57 PolarHBondContact N-O 3.42Å; I9-L58 HydrophobicContact CB-CD2 3.97Å; I9-L58 HydrophobicContact CG1-CD2 4.29Å; I9-L58 WeakPolarHBondContact O-CA 3.38Å; I9-V59 PolarHBondContact O-N 3.11Å; I9-G80 WeakPolarHBondContact CA-O 3.42Å; I9-I82 HydrophobicContact CG2-CD1 3.79Å; I9-I82 HydrophobicContact CG2-CG1 3.88Å; I9-I163 HydrophobicContact CD1-CG1 4.06Å; I9-I163 HydrophobicContact CD1-CG2 4.3Å; I9-I163 HydrophobicContact CG1-CG2 4.37Å; I9-I163 HydrophobicContact CG2-CG1 4.35Å; I9-I163 HydrophobicContact CG2-CG2 4.29Å
10	A	97.8	Very high	93.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.7	174	0	0	0	0	0	111	V59 I78 G80 Y81 I82	A10-V59 HydrophobicContact CB-CB 4.4Å; A10-I78 HydrophobicContact CB-CD1 3.93Å; A10-I78 HydrophobicContact CB-CG1 4.37Å; A10-I78 HydrophobicContact CB-CG2 4.45Å; A10-G80 PolarHBondContact N-O 3.31Å; A10-Y81 HydrophobicContact CB-CD1 3.85Å; A10-Y81 HydrophobicContact CB-CE1 4.04Å; A10-Y81 WeakPolarHBondContact O-CA 3.42Å; A10-I82 PolarHBondContact O-N 3.49Å
11	I	98.3	Very high	93.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114	178.8	-54.4	86.4	0	0	0	108.2	K19 L58 V59 T61 I82 V84 F160	I11-K19 HydrophobicContact CG2-CB 3.75Å; I11-K19 HydrophobicContact CG2-CD 4.13Å; I11-K19 HydrophobicContact CG2-CG 3.94Å; I11-L58 HydrophobicContact CD1-CB 4.08Å; I11-V59 WeakPolarHBondContact CD1-O 3.31Å; I11-V59 PolarHBondContact N-O 2.93Å; I11-T61 WeakPolarHBondContact O-CB 3.36Å; I11-T61 WeakPolarHBondContact O-CG2 3.37Å; I11-T61 PolarHBondContact O-N 2.76Å; I11-T61 PolarHBondContact O-OG1 2.82Å; I11-I82 WeakPolarHBondContact CA-O 3.45Å; I11-I82 HydrophobicContact CG1-CB 4.34Å; I11-I82 HydrophobicContact CG1-CD1 4.29Å; I11-I82 HydrophobicContact CG2-CB 4.47Å; I11-I82 HydrophobicContact CG2-CG2 4.46Å; I11-V84 HydrophobicContact CG2-CG2 3.67Å; I11-F160 HydrophobicContact CD1-CE1 4.25Å; I11-F160 HydrophobicContact CG1-CE1 4.22Å; I11-F160 HydrophobicContact CG1-CZ 4.44Å
12	L	97.8	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.1	-172.7	-58.5	163.6	0	0	0	110.6	K19 T61 F70 Y74 Y81 I82 L83 V84 I99 L103	L12-K19 VanDerWaalsContact C-CD 3.46Å; L12-T61 HydrophobicContact CD2-CG2 3.81Å; L12-F70 HydrophobicContact CD1-CE1 4.08Å; L12-F70 HydrophobicContact CD1-CZ 3.88Å; L12-F70 HydrophobicContact CD2-CE1 4.37Å; L12-F70 HydrophobicContact CD2-CZ 4.13Å; L12-Y74 HydrophobicContact CD2-CD2 3.61Å; L12-Y74 HydrophobicContact CD2-CE2 3.76Å; L12-Y74 HydrophobicContact CD2-CG 4.34Å; L12-Y81 HydrophobicContact CD1-CD1 3.71Å; L12-Y81 HydrophobicContact CD1-CE1 4.33Å; L12-I82 PolarHBondContact N-O 3.27Å; L12-L83 HydrophobicContact CB-CD2 3.72Å; L12-L83 HydrophobicContact CD1-CD2 3.85Å; L12-L83 HydrophobicContact CG-CD2 4.37Å; L12-V84 PolarHBondContact O-N 3.23Å; L12-I99 HydrophobicContact CB-CG2 4.05Å; L12-L103 HydrophobicContact CD1-CD1 4.44Å; L12-L103 HydrophobicContact CD1-CD2 4.38Å
13	G	98.4	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	172.4	178.5	0	0	0	0	0	113.6	K19 G63 Q64 V84	G13-K19 PolarHBondContact O-NZ 2.95Å; G13-K19 VanDerWaalsContact O-NZ 3.1Å; G13-G63 WeakPolarHBondContact O-CA 3.34Å; G13-Q64 PolarHBondContact O-N 3.37Å; G13-Q64 VanDerWaalsContact O-N 3.15Å; G13-V84 WeakPolarHBondContact CA-O 3.26Å
14	Y	97.8	Very high	96.8	Very high	34 Å²	34	28.4 Å²	28.4	13%	0.133	15%	0.149	C	C	.	.	S	Bend	trans	-59.6	164.9	-179.8	-170.7	-119.1	0	0	0	112.2	V17 K19 Q64 D65 K91 V95	Y14-V17 VanDerWaalsContact O-CG2 3.27Å; Y14-V17 WeakPolarHBondContact O-CG2 3.18Å; Y14-K19 PolarHBondContact O-NZ 3.48Å; Y14-Q64 WeakPolarHBondContact CA-O 3.4Å; Y14-Q64 WeakPolarHBondContact CD2-O 3.41Å; Y14-D65 HydrophobicContact CE2-CB 4.18Å; Y14-K91 HydrophobicContact CE1-CG 4.15Å; Y14-V95 HydrophobicContact CD2-CB 4.24Å; Y14-V95 HydrophobicContact CD2-CG1 4.02Å; Y14-V95 HydrophobicContact CD2-CG2 3.97Å; Y14-V95 HydrophobicContact CE2-CG2 4.37Å
15	R	95.8	Very high	97	Very high	149 Å²	149	27.2 Å²	27.2	56%	0.562	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	149.3	173.4	61.4	-179.6	177.2	167.8	1.8	111.4	V17	R15-V17 PolarHBondContact O-N 3.47Å
16	S	95.4	Very high	97.1	Very high	50 Å²	50	23.9 Å²	23.9	35%	0.35	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	16.2	174.3	-46.4	0	0	0	0	116.7	G18 Y35 K120	S16-G18 VanDerWaalsContact C-N 3.29Å; S16-Y35 WeakPolarHBondContact OG-CE1 3.18Å; S16-Y35 PolarHBondContact OG-OH 3.14Å; S16-K120 VanDerWaalsContact O-CE 3.26Å; S16-K120 WeakPolarHBondContact O-CE 3.15Å; S16-K120 PolarHBondContact O-NZ 3.29Å
17	V	97.5	Very high	97.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-76.8	-15.2	173.5	-58	0	0	0	0	113.3	Y14 R15 K19 V84 N119	Y14-V17 VanDerWaalsContact O-CG2 3.27Å; Y14-V17 WeakPolarHBondContact O-CG2 3.18Å; R15-V17 PolarHBondContact O-N 3.47Å; V17-K19 HydrophobicContact CG2-CD 4.39Å; V17-K19 HydrophobicContact CG2-CG 3.64Å; V17-V84 HydrophobicContact CB-CG1 4.21Å; V17-V84 HydrophobicContact CG2-CB 3.93Å; V17-V84 HydrophobicContact CG2-CG1 3.75Å; V17-N119 PolarHBondContact O-ND2 3.4Å
18	G	97	Very high	96.9	Very high	12 Å²	12	26 Å²	26	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	98	29.9	177.7	0	0	0	0	0	115.6	S16 S21 L22	S16-G18 VanDerWaalsContact C-N 3.29Å; G18-S21 PolarHBondContact O-N 2.92Å; G18-L22 WeakPolarHBondContact O-CB 3.41Å; G18-L22 WeakPolarHBondContact O-CG 3.26Å; G18-L22 PolarHBondContact O-N 3.48Å
19	K	97.5	Very high	96.8	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.039	14%	0.144	C	C	.	.	H	α-helix	trans	-56	-53.6	174	-56.9	-169	-57.3	-74.1	0	112.1	I11 L12 G13 Y14 V17 L22 T23 D60 T61 A62 G63 V84	I11-K19 HydrophobicContact CG2-CB 3.75Å; I11-K19 HydrophobicContact CG2-CD 4.13Å; I11-K19 HydrophobicContact CG2-CG 3.94Å; L12-K19 VanDerWaalsContact C-CD 3.46Å; G13-K19 PolarHBondContact O-NZ 2.95Å; G13-K19 VanDerWaalsContact O-NZ 3.1Å; Y14-K19 PolarHBondContact O-NZ 3.48Å; V17-K19 HydrophobicContact CG2-CD 4.39Å; V17-K19 HydrophobicContact CG2-CG 3.64Å; K19-L22 PolarHBondContact O-N 2.67Å; K19-T23 PolarHBondContact O-N 2.92Å; K19-T23 PolarHBondContact O-OG1 3.35Å; K19-D60 WeakPolarHBondContact CB-OD1 3.29Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; K19-T61 PolarHBondContact NZ-O 3.4Å; K19-A62 PolarHBondContact NZ-O 3.28Å; K19-G63 VanDerWaalsContact NZ-CA 3.28Å; K19-V84 HydrophobicContact CG-CB 4.15Å; K19-V84 HydrophobicContact CG-CG2 4.25Å
20	S	96.6	Very high	96.4	Very high	24 Å²	24	31.7 Å²	31.7	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-42.8	177.3	-47.8	0	0	0	0	111.7	L22 T23 I24 T38 D60	S20-L22 PolarHBondContact O-N 3.06Å; S20-T23 PolarHBondContact O-N 3.22Å; S20-T23 VanDerWaalsContact O-N 3.17Å; S20-I24 WeakPolarHBondContact O-CB 3.4Å; S20-I24 VanDerWaalsContact O-CG1 3.32Å; S20-I24 WeakPolarHBondContact O-CG1 3.38Å; S20-I24 PolarHBondContact O-N 3.43Å; S20-T38 PolarHBondContact OG-OG1 3.08Å; S20-D60 VanDerWaalsContact CA-OD2 3.28Å; S20-D60 WeakPolarHBondContact CA-OD2 3.28Å; S20-D60 WeakPolarHBondContact CB-OD2 3.47Å; S20-D60 PolarHBondContact N-OD1 3.01Å; S20-D60 VanDerWaalsContact OG-CG 3.31Å; S20-D60 PolarHBondContact OG-OD1 3.36Å; S20-D60 PolarHBondContact OG-OD2 3.47Å
21	S	96.2	Very high	96	Very high	34 Å²	34	35 Å²	35	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-41.3	177.5	-46.5	0	0	0	0	112.4	G18 Q25	G18-S21 PolarHBondContact O-N 2.92Å; S21-Q25 WeakPolarHBondContact O-CB 3.44Å; S21-Q25 PolarHBondContact O-N 3.02Å
22	L	97.5	Very high	95.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-44.4	173.8	-76.3	171.8	0	0	0	111.5	G18 K19 S20 F26 V84 V117 N119 S148 A150 A156	G18-L22 WeakPolarHBondContact O-CB 3.41Å; G18-L22 WeakPolarHBondContact O-CG 3.26Å; G18-L22 PolarHBondContact O-N 3.48Å; K19-L22 PolarHBondContact O-N 2.67Å; S20-L22 PolarHBondContact O-N 3.06Å; L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 3.28Å; L22-V84 HydrophobicContact CD1-CG1 4.11Å; L22-V84 HydrophobicContact CD1-CG2 4.36Å; L22-V117 HydrophobicContact CD1-CG1 4.19Å; L22-N119 HydrophobicContact CD1-CB 4.17Å; L22-S148 VanDerWaalsContact CD2-OG 3.3Å; L22-S148 WeakPolarHBondContact CD2-OG 3.26Å; L22-A150 HydrophobicContact CD2-CB 4.13Å; L22-A150 HydrophobicContact CG-CB 4.32Å; L22-A156 HydrophobicContact CD2-CB 4.07Å
23	T	97.1	Very high	94.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-49.3	-178.5	-54.9	0	0	0	0	111.4	K19 S20 F26 V27 F43 L58 D60	K19-T23 PolarHBondContact O-N 2.92Å; K19-T23 PolarHBondContact O-OG1 3.35Å; S20-T23 PolarHBondContact O-N 3.22Å; S20-T23 VanDerWaalsContact O-N 3.17Å; T23-F26 PolarHBondContact O-N 3.45Å; T23-V27 HydrophobicContact CG2-CG2 4.34Å; T23-V27 WeakPolarHBondContact O-CB 3.5Å; T23-V27 WeakPolarHBondContact O-CG2 3.46Å; T23-V27 PolarHBondContact O-N 2.92Å; T23-F43 HydrophobicContact CG2-CB 4.31Å; T23-F43 HydrophobicContact CG2-CD2 3.51Å; T23-F43 HydrophobicContact CG2-CE2 3.98Å; T23-F43 HydrophobicContact CG2-CG 3.98Å; T23-L58 HydrophobicContact CG2-CB 4.03Å; T23-L58 HydrophobicContact CG2-CD1 4.01Å; T23-D60 HydrophobicContact CG2-CB 4.44Å
24	I	95.4	Very high	93.5	Very high	43 Å²	43	49.2 Å²	49.2	22%	0.221	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-45.1	177.6	-67	166.5	0	0	0	110.5	S20 F26 V27 E28 F43	S20-I24 WeakPolarHBondContact O-CB 3.4Å; S20-I24 VanDerWaalsContact O-CG1 3.32Å; S20-I24 WeakPolarHBondContact O-CG1 3.38Å; S20-I24 PolarHBondContact O-N 3.43Å; I24-F26 VanDerWaalsContact C-N 3.26Å; I24-F26 PolarHBondContact O-N 2.99Å; I24-V27 PolarHBondContact O-N 3.43Å; I24-V27 VanDerWaalsContact O-N 3.16Å; I24-E28 HydrophobicContact CG2-CB 4.36Å; I24-E28 HydrophobicContact CG2-CG 4.43Å; I24-E28 WeakPolarHBondContact O-CA 3.38Å; I24-E28 WeakPolarHBondContact O-CB 3.11Å; I24-E28 PolarHBondContact O-N 3.38Å; I24-F43 HydrophobicContact CG1-CE1 4.15Å; I24-F43 HydrophobicContact CG1-CZ 3.95Å
25	Q	96	Very high	92.2	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-41.6	176.4	178.5	67.9	-61.5	0	0	111.5	S21 G29 Q30 A150 N153 A156	S21-Q25 WeakPolarHBondContact O-CB 3.44Å; S21-Q25 PolarHBondContact O-N 3.02Å; Q25-G29 WeakPolarHBondContact O-CA 3.42Å; Q25-G29 PolarHBondContact O-N 2.72Å; Q25-G29 PolarHBondContact OE1-O 3.1Å; Q25-Q30 VanDerWaalsContact CA-O 3.26Å; Q25-Q30 WeakPolarHBondContact CA-O 3.23Å; Q25-Q30 PolarHBondContact N-O 3.26Å; Q25-Q30 VanDerWaalsContact OE1-C 3.27Å; Q25-Q30 PolarHBondContact OE1-O 2.98Å; Q25-A150 VanDerWaalsContact CG-O 3.25Å; Q25-A150 WeakPolarHBondContact CG-O 3.26Å; Q25-A150 PolarHBondContact NE2-O 3.4Å; Q25-N153 HydrophobicContact CG-CB 4.41Å; Q25-N153 PolarHBondContact O-ND2 2.66Å; Q25-N153 VanDerWaalsContact O-ND2 3.17Å; Q25-N153 PolarHBondContact OE1-ND2 3.45Å; Q25-A156 HydrophobicContact CB-CB 4.2Å; Q25-A156 HydrophobicContact CG-CB 3.82Å
26	F	97.1	Very high	91.6	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-43.6	175.6	173.1	-115.3	0	0	0	112.4	L22 T23 I24 K45 I47 L56 L58 A156 V157 F160	L22-F26 WeakPolarHBondContact O-CB 3.24Å; L22-F26 PolarHBondContact O-N 3.28Å; T23-F26 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.26Å; I24-F26 PolarHBondContact O-N 2.99Å; F26-K45 HydrophobicContact CD1-CD 4.13Å; F26-K45 HydrophobicContact CE1-CB 4.27Å; F26-K45 HydrophobicContact CE1-CD 3.75Å; F26-K45 HydrophobicContact CE1-CG 4.14Å; F26-K45 HydrophobicContact CE2-CD 4.42Å; F26-K45 HydrophobicContact CZ-CD 3.92Å; F26-K45 HydrophobicContact CZ-CG 4.28Å; F26-K45 WeakPolarHBondContact O-CE 3.49Å; F26-K45 PolarHBondContact O-NZ 2.91Å; F26-I47 HydrophobicContact CE2-CD1 3.86Å; F26-I47 HydrophobicContact CZ-CD1 3.81Å; F26-L56 HydrophobicContact CE1-CD1 3.7Å; F26-L56 HydrophobicContact CZ-CD1 3.85Å; F26-L58 HydrophobicContact CD1-CD1 3.57Å; F26-L58 HydrophobicContact CE1-CD1 3.8Å; F26-A156 HydrophobicContact CB-CB 4.44Å; F26-V157 HydrophobicContact CD2-CB 4.45Å; F26-V157 HydrophobicContact CD2-CG2 4.05Å; F26-V157 HydrophobicContact CE2-CG2 4.5Å; F26-F160 HydrophobicContact CB-CD2 3.34Å; F26-F160 HydrophobicContact CB-CE2 3.39Å; F26-F160 HydrophobicContact CB-CG 4.32Å; F26-F160 HydrophobicContact CB-CZ 4.39Å; F26-F160 HydrophobicContact CD1-CB 3.94Å; F26-F160 HydrophobicContact CD1-CD1 4.08Å; F26-F160 AromaticContact CD1-CD2 3.42Å; F26-F160 HydrophobicContact CD1-CD2 3.42Å; F26-F160 VanDerWaalsContact CD1-CD2 3.42Å; F26-F160 HydrophobicContact CD1-CE1 4.47Å; F26-F160 AromaticContact CD1-CE2 3.89Å; F26-F160 HydrophobicContact CD1-CE2 3.89Å; F26-F160 AromaticContact CD1-CG 3.53Å; F26-F160 HydrophobicContact CD1-CG 3.53Å; F26-F160 HydrophobicContact CD1-CZ 4.38Å; F26-F160 HydrophobicContact CD2-CB 3.98Å; F26-F160 AromaticContact CD2-CD2 3.73Å; F26-F160 HydrophobicContact CD2-CD2 3.73Å; F26-F160 HydrophobicContact CD2-CG 4.15Å; F26-F160 HydrophobicContact CE1-CB 3.71Å; F26-F160 HydrophobicContact CE1-CD1 4.24Å; F26-F160 HydrophobicContact CE1-CD2 4.11Å; F26-F160 AromaticContact CE1-CG 3.76Å; F26-F160 HydrophobicContact CE1-CG 3.76Å; F26-F160 HydrophobicContact CE2-CB 3.76Å; F26-F160 HydrophobicContact CE2-CD2 4.38Å; F26-F160 HydrophobicContact CE2-CG 4.35Å; F26-F160 HydrophobicContact CG-CB 4.06Å; F26-F160 AromaticContact CG-CD2 3.19Å; F26-F160 HydrophobicContact CG-CD2 3.19Å; F26-F160 AromaticContact CG-CE2 3.73Å; F26-F160 HydrophobicContact CG-CE2 3.73Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CZ-CB 3.61Å; F26-F160 HydrophobicContact CZ-CG 4.16Å
27	V	96.2	Very high	91.3	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-73.8	-50.3	-174	174.2	0	0	0	0	111.3	T23 I24 F43 K45 L58	T23-V27 HydrophobicContact CG2-CG2 4.34Å; T23-V27 WeakPolarHBondContact O-CB 3.5Å; T23-V27 WeakPolarHBondContact O-CG2 3.46Å; T23-V27 PolarHBondContact O-N 2.92Å; I24-V27 PolarHBondContact O-N 3.43Å; I24-V27 VanDerWaalsContact O-N 3.16Å; V27-F43 HydrophobicContact CG1-CD1 4.34Å; V27-F43 HydrophobicContact CG2-CB 3.87Å; V27-F43 HydrophobicContact CG2-CD1 4.48Å; V27-F43 HydrophobicContact CG2-CG 4.35Å; V27-K45 HydrophobicContact CG2-CB 4.47Å; V27-K45 HydrophobicContact CG2-CD 4.46Å; V27-K45 PolarHBondContact O-NZ 3.26Å; V27-L58 HydrophobicContact CG2-CD1 3.73Å
28	E	94.5	Very high	90.8	Very high	105 Å²	105	55.4 Å²	55.4	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-106.4	-13.5	-167.2	-57.5	-179.8	-174.6	0	0	113.3	I24 Q30	I24-E28 HydrophobicContact CG2-CB 4.36Å; I24-E28 HydrophobicContact CG2-CG 4.43Å; I24-E28 WeakPolarHBondContact O-CA 3.38Å; I24-E28 WeakPolarHBondContact O-CB 3.11Å; I24-E28 PolarHBondContact O-N 3.38Å; E28-Q30 PolarHBondContact O-N 2.65Å
29	G	93.9	Very high	90.3	Very high	43 Å²	43	62 Å²	62	44%	0.443	34%	0.34	S	S	.	.	S	Bend	trans	71.7	20.5	-177.1	0	0	0	0	0	113.6	Q25	Q25-G29 WeakPolarHBondContact O-CA 3.42Å; Q25-G29 PolarHBondContact O-N 2.72Å; Q25-G29 PolarHBondContact OE1-O 3.1Å
30	Q	90.8	Very high	90.1	Very high	117 Å²	117	65.3 Å²	65.3	55%	0.547	36%	0.356	S	S	.	.			trans	-122.9	141.8	-178.2	-61.8	-175.1	2.9	0	0	111.8	Q25 E28	Q25-Q30 VanDerWaalsContact CA-O 3.26Å; Q25-Q30 WeakPolarHBondContact CA-O 3.23Å; Q25-Q30 PolarHBondContact N-O 3.26Å; Q25-Q30 VanDerWaalsContact OE1-C 3.27Å; Q25-Q30 PolarHBondContact OE1-O 2.98Å; E28-Q30 PolarHBondContact O-N 2.65Å
31	F	89.4	Confident	90	Very high	71 Å²	71	68.2 Å²	68.2	31%	0.311	37%	0.37	S	S	.	.			trans	-108.8	123.1	168	175.6	-99.1	0	0	0	109.1	D33 A150 K151	F31-D33 HydrophobicContact CE1-CB 3.73Å; F31-D33 HydrophobicContact CZ-CB 4.37Å; F31-A150 HydrophobicContact CD2-CB 3.88Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 3.99Å; F31-K151 HydrophobicContact CD1-CG 3.9Å; F31-K151 HydrophobicContact CD2-CG 4.14Å; F31-K151 HydrophobicContact CE1-CD 4.29Å; F31-K151 HydrophobicContact CE1-CG 3.71Å; F31-K151 HydrophobicContact CE2-CG 3.97Å; F31-K151 HydrophobicContact CG-CG 4.11Å; F31-K151 HydrophobicContact CZ-CD 4.47Å; F31-K151 HydrophobicContact CZ-CG 3.75Å
32	V	83.6	Confident	90	Very high	76 Å²	76	70.5 Å²	70.5	46%	0.461	38%	0.382	S	S	.	.			trans	-107.3	121.5	174.3	-173.2	0	0	0	0	108	S34	V32-S34 VanDerWaalsContact CG1-OG 3.3Å; V32-S34 WeakPolarHBondContact CG1-OG 3.31Å; V32-S34 PolarHBondContact O-N 3.11Å
33	D	78.8	Confident	90	Very high	138 Å²	138	72.2 Å²	72.2	74%	0.738	39%	0.39	S	S	*	.			trans	-83.4	18.8	-175.5	-156.4	24.9	0	0	0	113.5	F31	F31-D33 HydrophobicContact CE1-CB 3.73Å; F31-D33 HydrophobicContact CZ-CB 4.37Å
34	S	79.2	Confident	90	Very high	85 Å²	85	77.3 Å²	77.3	59%	0.594	42%	0.421	S	S	*	.			trans	-103.5	149.1	173.8	64.8	0	0	0	0	110.8	V32	V32-S34 VanDerWaalsContact CG1-OG 3.3Å; V32-S34 WeakPolarHBondContact CG1-OG 3.31Å; V32-S34 PolarHBondContact O-N 3.11Å
35	Y	70.2	Confident	90.1	Very high	125 Å²	125	78.2 Å²	78.2	49%	0.49	42%	0.423	S	S	.	.			trans	-112.2	118.4	175.1	177.9	-110.4	0	0	0	110.2	S16 P37	S16-Y35 WeakPolarHBondContact OG-CE1 3.18Å; S16-Y35 PolarHBondContact OG-OH 3.14Å; Y35-P37 HydrophobicContact CE1-CG 3.9Å
36	D	83.7	Confident	90.2	Very high	131 Å²	131	82.1 Å²	82.1	70%	0.701	44%	0.444	S	S	*	.			trans	-118.6	126.3	166.3	-168.3	4.5	0	0	0	108.4	T38	D36-T38 PolarHBondContact O-N 2.94Å; D36-T38 VanDerWaalsContact O-N 3.13Å
37	P	88.3	Confident	90.1	Very high	83 Å²	83	83 Å²	83	54%	0.539	45%	0.448	S	S	.	.			trans	-55.8	116.1	174.8	-27.3	35.8	0	0	0	113.1	Y35	Y35-P37 HydrophobicContact CE1-CG 3.9Å
38	T	88	Confident	90.2	Very high	25 Å²	25	85.3 Å²	85.3	15%	0.153	46%	0.463	C	S	.	.			trans	-67.8	133.8	174.3	-38.3	0	0	0	0	111.3	S20 D36 A62	S20-T38 PolarHBondContact OG-OG1 3.08Å; D36-T38 PolarHBondContact O-N 2.94Å; D36-T38 VanDerWaalsContact O-N 3.13Å; T38-A62 VanDerWaalsContact O-CA 3.3Å; T38-A62 WeakPolarHBondContact O-CA 3.44Å; T38-A62 WeakPolarHBondContact O-CB 3.31Å
39	I	87.3	Confident	90.2	Very high	151 Å²	151	80.4 Å²	80.4	77%	0.774	44%	0.44	S	S	*	.			trans	-82.6	-69.2	165.1	-62.8	175	0	0	0	108.1	A62	I39-A62 VanDerWaalsContact O-CB 3.23Å; I39-A62 WeakPolarHBondContact O-CB 3.29Å; I39-A62 PolarHBondContact O-N 3.42Å; I39-A62 VanDerWaalsContact O-N 3.13Å
40	E	93.3	Very high	90.2	Very high	78 Å²	78	84.8 Å²	84.8	36%	0.364	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	138.5	167	-177.9	173.2	118.2	0	0	106.4	V59 D60 Y74	E40-V59 HydrophobicContact CG-CG1 4.14Å; E40-D60 CarbonylContact C-O 3.56Å; E40-D60 WeakPolarHBondContact CA-O 3.46Å; E40-Y74 WeakPolarHBondContact OE2-CE1 3.25Å; E40-Y74 PolarHBondContact OE2-OH 3.33Å
41	N	93.9	Very high	90.4	Very high	86 Å²	86	81.8 Å²	81.8	46%	0.46	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.1	175.6	-72.1	-58.3	0	0	0	109.6	F43 D60	N41-F43 HydrophobicContact CB-CD2 4.4Å; N41-F43 HydrophobicContact CB-CE2 3.72Å; N41-F43 HydrophobicContact CB-CZ 4.26Å; N41-D60 PolarHBondContact N-O 2.81Å; N41-D60 PolarHBondContact O-N 2.82Å
42	T	96.2	Very high	90.7	Very high	82 Å²	82	79.6 Å²	79.6	50%	0.503	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.5	172.2	-62	0	0	0	0	109.7	Q57 L58	T42-Q57 HydrophobicContact CG2-CB 4.44Å; T42-L58 CarbonylContact C-O 3.56Å; T42-L58 WeakPolarHBondContact CA-O 3.5Å
43	F	97.3	Very high	91.4	Very high	38 Å²	38	79.1 Å²	79.1	17%	0.167	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152.7	174	-61.1	-98.4	0	0	0	110.2	T23 I24 V27 N41 Q57 L58 D60	T23-F43 HydrophobicContact CG2-CB 4.31Å; T23-F43 HydrophobicContact CG2-CD2 3.51Å; T23-F43 HydrophobicContact CG2-CE2 3.98Å; T23-F43 HydrophobicContact CG2-CG 3.98Å; I24-F43 HydrophobicContact CG1-CE1 4.15Å; I24-F43 HydrophobicContact CG1-CZ 3.95Å; V27-F43 HydrophobicContact CG1-CD1 4.34Å; V27-F43 HydrophobicContact CG2-CB 3.87Å; V27-F43 HydrophobicContact CG2-CD1 4.48Å; V27-F43 HydrophobicContact CG2-CG 4.35Å; N41-F43 HydrophobicContact CB-CD2 4.4Å; N41-F43 HydrophobicContact CB-CE2 3.72Å; N41-F43 HydrophobicContact CB-CZ 4.26Å; F43-Q57 CarbonylContact O-C 3.6Å; F43-Q57 WeakPolarHBondContact O-CA 3.46Å; F43-L58 HydrophobicContact CB-CB 4.32Å; F43-L58 PolarHBondContact N-O 3.1Å; F43-L58 PolarHBondContact O-N 3.36Å; F43-D60 HydrophobicContact CD2-CB 4.35Å; F43-D60 HydrophobicContact CE2-CB 4.06Å
44	T	97.8	Very high	92.3	Very high	107 Å²	107	73 Å²	73	66%	0.656	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.6	173.2	59.7	0	0	0	0	111	L56 Q57	T44-L56 VanDerWaalsContact CA-O 3.24Å; T44-L56 WeakPolarHBondContact CA-O 3.46Å; T44-Q57 HydrophobicContact CG2-CG 4.47Å
45	K	97.5	Very high	93.2	Very high	61 Å²	61	73.5 Å²	73.5	27%	0.265	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.3	176	179.2	142.6	-175.6	150.9	0	111.6	F26 V27 L56	F26-K45 HydrophobicContact CD1-CD 4.13Å; F26-K45 HydrophobicContact CE1-CB 4.27Å; F26-K45 HydrophobicContact CE1-CD 3.75Å; F26-K45 HydrophobicContact CE1-CG 4.14Å; F26-K45 HydrophobicContact CE2-CD 4.42Å; F26-K45 HydrophobicContact CZ-CD 3.92Å; F26-K45 HydrophobicContact CZ-CG 4.28Å; F26-K45 WeakPolarHBondContact O-CE 3.49Å; F26-K45 PolarHBondContact O-NZ 2.91Å; V27-K45 HydrophobicContact CG2-CB 4.47Å; V27-K45 HydrophobicContact CG2-CD 4.46Å; V27-K45 PolarHBondContact O-NZ 3.26Å; K45-L56 PolarHBondContact N-O 3Å; K45-L56 VanDerWaalsContact N-O 3.09Å; K45-L56 WeakPolarHBondContact O-CB 3.45Å; K45-L56 PolarHBondContact O-N 2.84Å
46	L	97	Very high	94.5	Very high	91 Å²	91	67.7 Å²	67.7	48%	0.476	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.7	165.6	-162.5	68	0	0	0	109.2	E53 Y54 H55	L46-E53 HydrophobicContact CD1-CG 3.56Å; L46-E53 HydrophobicContact CD2-CG 4.39Å; L46-E53 HydrophobicContact CG-CG 3.89Å; L46-Y54 WeakPolarHBondContact CA-O 3.29Å; L46-H55 VanDerWaalsContact CD1-CE1 3.47Å; L46-H55 WeakPolarHBondContact CD1-CE1 3.32Å
47	I	96.4	Very high	95.2	Very high	20 Å²	20	65.3 Å²	65.3	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.5	175.2	-171.7	167.7	0	0	0	111.2	F26 V49 E53 Y54 L56 R161 I164	F26-I47 HydrophobicContact CE2-CD1 3.86Å; F26-I47 HydrophobicContact CZ-CD1 3.81Å; I47-V49 HydrophobicContact CD1-CG2 4.22Å; I47-V49 HydrophobicContact CG1-CG2 4.14Å; I47-V49 HydrophobicContact CG2-CG2 4.4Å; I47-E53 CarbonylContact O-C 3.6Å; I47-E53 WeakPolarHBondContact O-CA 3.36Å; I47-Y54 PolarHBondContact N-O 2.9Å; I47-Y54 PolarHBondContact O-N 2.98Å; I47-L56 HydrophobicContact CG2-CD1 3.68Å; I47-L56 HydrophobicContact CG2-CD2 4.37Å; I47-L56 HydrophobicContact CG2-CG 3.9Å; I47-R161 HydrophobicContact CD1-CG 3.9Å; I47-I164 HydrophobicContact CG2-CD1 3.82Å
48	T	96.3	Very high	95.7	Very high	79 Å²	79	61.3 Å²	61.3	49%	0.485	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.9	170.8	-54.5	0	0	0	0	110.6	Q52 R161	T48-Q52 CarbonylContact C-O 3.58Å; T48-Q52 WeakPolarHBondContact CA-O 3.24Å; T48-R161 PolarHBondContact O-NH1 2.99Å; T48-R161 VanDerWaalsContact O-NH1 3.13Å
49	V	96	Very high	96.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.5	175.4	-173.6	0	0	0	0	108	I47 G51 Q52 Y54 R161 I164 L165	I47-V49 HydrophobicContact CD1-CG2 4.22Å; I47-V49 HydrophobicContact CG1-CG2 4.14Å; I47-V49 HydrophobicContact CG2-CG2 4.4Å; V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.17Å; V49-Q52 PolarHBondContact N-O 3.09Å; V49-Q52 PolarHBondContact O-N 3.33Å; V49-Y54 HydrophobicContact CB-CD2 4.24Å; V49-Y54 HydrophobicContact CB-CE2 3.84Å; V49-Y54 HydrophobicContact CG2-CD2 4.3Å; V49-Y54 HydrophobicContact CG2-CE2 4.37Å; V49-R161 HydrophobicContact CG2-CG 4.28Å; V49-I164 HydrophobicContact CB-CG2 4.47Å; V49-I164 HydrophobicContact CG2-CD1 4.04Å; V49-I164 HydrophobicContact CG2-CG2 4.34Å; V49-L165 HydrophobicContact CG1-CD2 3.67Å; V49-L165 HydrophobicContact CG1-CG 4.07Å
50	N	94.4	Very high	96.5	Very high	135 Å²	135	53.3 Å²	53.3	72%	0.722	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	40.9	-178.2	-61.5	-6.7	0	0	0	114	Q52	N50-Q52 PolarHBondContact O-N 3.15Å
51	G	94.1	Very high	96.6	Very high	55 Å²	55	49.6 Å²	49.6	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-4.3	179.5	0	0	0	0	0	115.5	V49	V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.17Å
52	Q	95.8	Very high	96.7	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.8	171.3	176.7	63.5	67.6	0	0	109.6	Q3 K5 T48 V49 N50 Y54	Q3-Q52 PolarHBondContact O-NE2 2.93Å; K5-Q52 HydrophobicContact CD-CG 4.2Å; K5-Q52 HydrophobicContact CG-CG 4.4Å; T48-Q52 CarbonylContact C-O 3.58Å; T48-Q52 WeakPolarHBondContact CA-O 3.24Å; V49-Q52 PolarHBondContact N-O 3.09Å; V49-Q52 PolarHBondContact O-N 3.33Å; N50-Q52 PolarHBondContact O-N 3.15Å; Q52-Y54 HydrophobicContact CB-CE2 3.7Å; Q52-Y54 HydrophobicContact CG-CD2 4.23Å; Q52-Y54 HydrophobicContact CG-CE1 3.88Å; Q52-Y54 HydrophobicContact CG-CE2 3.5Å; Q52-Y54 VanDerWaalsContact CG-OH 3.29Å; Q52-Y54 WeakPolarHBondContact CG-OH 3.49Å; Q52-Y54 VanDerWaalsContact O-CD2 3.3Å; Q52-Y54 WeakPolarHBondContact O-CD2 3.36Å; Q52-Y54 VanDerWaalsContact O-CE2 3.25Å; Q52-Y54 WeakPolarHBondContact O-CE2 3.45Å
53	E	97.5	Very high	96.6	Very high	65 Å²	65	44.4 Å²	44.4	30%	0.304	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.9	173.1	-168.4	-174.9	79.3	0	0	110.6	S4 K5 L46 I47 H55	S4-E53 VanDerWaalsContact CB-OE1 3.24Å; S4-E53 WeakPolarHBondContact CB-OE1 3.46Å; S4-E53 WeakPolarHBondContact OG-CG 3.45Å; S4-E53 PolarHBondContact OG-O 3.48Å; S4-E53 PolarHBondContact OG-OE1 3.33Å; K5-E53 PolarHBondContact N-O 3.49Å; L46-E53 HydrophobicContact CD1-CG 3.56Å; L46-E53 HydrophobicContact CD2-CG 4.39Å; L46-E53 HydrophobicContact CG-CG 3.89Å; I47-E53 CarbonylContact O-C 3.6Å; I47-E53 WeakPolarHBondContact O-CA 3.36Å; E53-H55 IonicContact OE1-NE2 2.65Å
54	Y	97.9	Very high	96.4	Very high	9 Å²	9	43 Å²	43	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.7	179.1	-60.4	-89.6	0	0	0	111.1	K5 R7 L46 I47 V49 Q52 I164 E168	K5-Y54 HydrophobicContact CB-CD1 3.83Å; K5-Y54 HydrophobicContact CB-CE1 4Å; K5-Y54 HydrophobicContact CD-CE1 3.98Å; K5-Y54 CarbonylContact O-C 3.5Å; K5-Y54 VanDerWaalsContact O-CA 3.23Å; K5-Y54 WeakPolarHBondContact O-CA 3.49Å; R7-Y54 HydrophobicContact CG-CD1 3.75Å; R7-Y54 HydrophobicContact CG-CE1 4.3Å; L46-Y54 WeakPolarHBondContact CA-O 3.29Å; I47-Y54 PolarHBondContact N-O 2.9Å; I47-Y54 PolarHBondContact O-N 2.98Å; V49-Y54 HydrophobicContact CB-CD2 4.24Å; V49-Y54 HydrophobicContact CB-CE2 3.84Å; V49-Y54 HydrophobicContact CG2-CD2 4.3Å; V49-Y54 HydrophobicContact CG2-CE2 4.37Å; Q52-Y54 HydrophobicContact CB-CE2 3.7Å; Q52-Y54 HydrophobicContact CG-CD2 4.23Å; Q52-Y54 HydrophobicContact CG-CE1 3.88Å; Q52-Y54 HydrophobicContact CG-CE2 3.5Å; Q52-Y54 VanDerWaalsContact CG-OH 3.29Å; Q52-Y54 WeakPolarHBondContact CG-OH 3.49Å; Q52-Y54 VanDerWaalsContact O-CD2 3.3Å; Q52-Y54 WeakPolarHBondContact O-CD2 3.36Å; Q52-Y54 VanDerWaalsContact O-CE2 3.25Å; Q52-Y54 WeakPolarHBondContact O-CE2 3.45Å; Y54-I164 HydrophobicContact CD1-CG2 4.09Å; Y54-I164 HydrophobicContact CD2-CG2 4.01Å; Y54-I164 HydrophobicContact CE1-CG2 3.85Å; Y54-I164 HydrophobicContact CE2-CG2 3.77Å; Y54-I164 HydrophobicContact CG-CG2 4.16Å; Y54-E168 HydrophobicContact CE1-CG 4.27Å; Y54-E168 VanDerWaalsContact CE1-OE1 3.31Å; Y54-E168 WeakPolarHBondContact CE1-OE1 3.35Å; Y54-E168 WeakPolarHBondContact OH-CG 3.49Å
55	H	97.8	Very high	96.2	Very high	96 Å²	96	40.9 Å²	40.9	44%	0.444	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.1	161.9	-67.9	-89.7	0	0	0	109	S4 K5 S6 R7 L46 E53	S4-H55 PolarHBondContact OG-CD2 3.26Å; S4-H55 PolarHBondContact OG-NE2 2.77Å; K5-H55 PolarHBondContact O-N 3.41Å; S6-H55 WeakPolarHBondContact CA-O 3.45Å; S6-H55 PolarHBondContact OG-O 3.28Å; R7-H55 PolarHBondContact N-O 3.41Å; L46-H55 VanDerWaalsContact CD1-CE1 3.47Å; L46-H55 WeakPolarHBondContact CD1-CE1 3.32Å; E53-H55 IonicContact OE1-NE2 2.65Å
56	L	98.2	Very high	95.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.6	177.5	-55.5	-177.7	0	0	0	111.1	R7 F26 T44 K45 I47 L58 I164	R7-L56 HydrophobicContact CB-CD2 3.79Å; R7-L56 CarbonylContact O-C 3.51Å; R7-L56 VanDerWaalsContact O-CA 3.28Å; R7-L56 WeakPolarHBondContact O-CA 3.4Å; F26-L56 HydrophobicContact CE1-CD1 3.7Å; F26-L56 HydrophobicContact CZ-CD1 3.85Å; T44-L56 VanDerWaalsContact CA-O 3.24Å; T44-L56 WeakPolarHBondContact CA-O 3.46Å; K45-L56 PolarHBondContact N-O 3Å; K45-L56 VanDerWaalsContact N-O 3.09Å; K45-L56 WeakPolarHBondContact O-CB 3.45Å; K45-L56 PolarHBondContact O-N 2.84Å; I47-L56 HydrophobicContact CG2-CD1 3.68Å; I47-L56 HydrophobicContact CG2-CD2 4.37Å; I47-L56 HydrophobicContact CG2-CG 3.9Å; L56-L58 HydrophobicContact CB-CD2 4.09Å; L56-L58 HydrophobicContact CB-CG 4.36Å; L56-L58 HydrophobicContact CD1-CD2 4.29Å; L56-I164 HydrophobicContact CD1-CD1 3.92Å; L56-I164 HydrophobicContact CD2-CD1 3.78Å; L56-I164 HydrophobicContact CD2-CG1 3.99Å; L56-I164 HydrophobicContact CG-CD1 4.39Å
57	Q	98.2	Very high	95.6	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.379	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.5	159.1	-67.6	-178.9	8.9	0	0	107.8	R7 K8 I9 T42 F43 T44	R7-Q57 PolarHBondContact O-N 3.33Å; K8-Q57 CarbonylContact C-O 3.51Å; K8-Q57 VanDerWaalsContact CA-O 3.31Å; K8-Q57 WeakPolarHBondContact CA-O 3.33Å; K8-Q57 HydrophobicContact CB-CB 4.23Å; K8-Q57 HydrophobicContact CG-CB 3.99Å; I9-Q57 PolarHBondContact N-O 3.42Å; T42-Q57 HydrophobicContact CG2-CB 4.44Å; F43-Q57 CarbonylContact O-C 3.6Å; F43-Q57 WeakPolarHBondContact O-CA 3.46Å; T44-Q57 HydrophobicContact CG2-CG 4.47Å
58	L	98.3	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110	-178.4	-53.5	178.9	0	0	0	108.6	I9 I11 T23 F26 V27 T42 F43 L56 D60 F160	I9-L58 HydrophobicContact CB-CD2 3.97Å; I9-L58 HydrophobicContact CG1-CD2 4.29Å; I9-L58 WeakPolarHBondContact O-CA 3.38Å; I11-L58 HydrophobicContact CD1-CB 4.08Å; T23-L58 HydrophobicContact CG2-CB 4.03Å; T23-L58 HydrophobicContact CG2-CD1 4.01Å; F26-L58 HydrophobicContact CD1-CD1 3.57Å; F26-L58 HydrophobicContact CE1-CD1 3.8Å; V27-L58 HydrophobicContact CG2-CD1 3.73Å; T42-L58 CarbonylContact C-O 3.56Å; T42-L58 WeakPolarHBondContact CA-O 3.5Å; F43-L58 HydrophobicContact CB-CB 4.32Å; F43-L58 PolarHBondContact N-O 3.1Å; F43-L58 PolarHBondContact O-N 3.36Å; L56-L58 HydrophobicContact CB-CD2 4.09Å; L56-L58 HydrophobicContact CB-CG 4.36Å; L56-L58 HydrophobicContact CD1-CD2 4.29Å; L58-D60 PolarHBondContact O-N 2.83Å; L58-F160 HydrophobicContact CD1-CD1 4.18Å; L58-F160 HydrophobicContact CD1-CE1 3.91Å; L58-F160 HydrophobicContact CD1-CZ 4.34Å; L58-F160 HydrophobicContact CD2-CD1 3.82Å; L58-F160 HydrophobicContact CD2-CE1 3.83Å; L58-F160 HydrophobicContact CG-CE1 4.4Å
59	V	97.4	Very high	94.9	Very high	6 Å²	6	50 Å²	50	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	98	178.4	-172.1	0	0	0	0	108.2	K8 I9 A10 I11 E40 T61	K8-V59 HydrophobicContact CG-CG2 4.17Å; I9-V59 PolarHBondContact O-N 3.11Å; A10-V59 HydrophobicContact CB-CB 4.4Å; I11-V59 WeakPolarHBondContact CD1-O 3.31Å; I11-V59 PolarHBondContact N-O 2.93Å; E40-V59 HydrophobicContact CG-CG1 4.14Å; V59-T61 HydrophobicContact CG1-CG2 4.17Å
60	D	95.7	Very high	94.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115	173.3	179.9	35.8	0	0	0	109.7	K19 S20 T23 E40 N41 F43 L58	K19-D60 WeakPolarHBondContact CB-OD1 3.29Å; S20-D60 VanDerWaalsContact CA-OD2 3.28Å; S20-D60 WeakPolarHBondContact CA-OD2 3.28Å; S20-D60 WeakPolarHBondContact CB-OD2 3.47Å; S20-D60 PolarHBondContact N-OD1 3.01Å; S20-D60 VanDerWaalsContact OG-CG 3.31Å; S20-D60 PolarHBondContact OG-OD1 3.36Å; S20-D60 PolarHBondContact OG-OD2 3.47Å; T23-D60 HydrophobicContact CG2-CB 4.44Å; E40-D60 CarbonylContact C-O 3.56Å; E40-D60 WeakPolarHBondContact CA-O 3.46Å; N41-D60 PolarHBondContact N-O 2.81Å; N41-D60 PolarHBondContact O-N 2.82Å; F43-D60 HydrophobicContact CD2-CB 4.35Å; F43-D60 HydrophobicContact CE2-CB 4.06Å; L58-D60 PolarHBondContact O-N 2.83Å
61	T	95.6	Very high	94.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	161.3	-169.8	67.3	0	0	0	0	113	I11 L12 K19 V59 Y74	I11-T61 WeakPolarHBondContact O-CB 3.36Å; I11-T61 WeakPolarHBondContact O-CG2 3.37Å; I11-T61 PolarHBondContact O-N 2.76Å; I11-T61 PolarHBondContact O-OG1 2.82Å; L12-T61 HydrophobicContact CD2-CG2 3.81Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; K19-T61 PolarHBondContact NZ-O 3.4Å; V59-T61 HydrophobicContact CG1-CG2 4.17Å; T61-Y74 WeakPolarHBondContact CB-OH 3.16Å; T61-Y74 HydrophobicContact CG2-CD1 4.38Å; T61-Y74 HydrophobicContact CG2-CE1 3.67Å; T61-Y74 HydrophobicContact CG2-CE2 3.92Å; T61-Y74 VanDerWaalsContact CG2-CZ 3.42Å; T61-Y74 WeakPolarHBondContact CG2-OH 3.41Å
62	A	94.8	Very high	93.8	Very high	30 Å²	30	51.8 Å²	51.8	25%	0.248	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.5	151	166.2	0	0	0	0	0	112.3	K19 T38 I39 Q64	K19-A62 PolarHBondContact NZ-O 3.28Å; T38-A62 VanDerWaalsContact O-CA 3.3Å; T38-A62 WeakPolarHBondContact O-CA 3.44Å; T38-A62 WeakPolarHBondContact O-CB 3.31Å; I39-A62 VanDerWaalsContact O-CB 3.23Å; I39-A62 WeakPolarHBondContact O-CB 3.29Å; I39-A62 PolarHBondContact O-N 3.42Å; I39-A62 VanDerWaalsContact O-N 3.13Å; A62-Q64 PolarHBondContact O-N 2.97Å
63	G	94.4	Very high	93.4	Very high	29 Å²	29	54.2 Å²	54.2	30%	0.299	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-60.8	128.6	165	0	0	0	0	0	111.1	G13 K19	G13-G63 WeakPolarHBondContact O-CA 3.34Å; K19-G63 VanDerWaalsContact NZ-CA 3.28Å
64	Q	93.7	Very high	92.9	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	26%	0.264	C	S	.	.			trans	-110.3	146.4	178.5	-62	-169.6	29.8	0	0	112	G13 Y14 A62 F70 V95 I99	G13-Q64 PolarHBondContact O-N 3.37Å; G13-Q64 VanDerWaalsContact O-N 3.15Å; Y14-Q64 WeakPolarHBondContact CA-O 3.4Å; Y14-Q64 WeakPolarHBondContact CD2-O 3.41Å; A62-Q64 PolarHBondContact O-N 2.97Å; Q64-F70 VanDerWaalsContact CD-CE2 3.49Å; Q64-V95 WeakPolarHBondContact O-CG1 3.35Å; Q64-I99 HydrophobicContact CB-CD1 3.93Å; Q64-I99 HydrophobicContact CB-CG1 4.36Å
65	D	93.8	Very high	92.5	Very high	63 Å²	63	53.3 Å²	53.3	34%	0.337	28%	0.277	S	S	.	.			trans	-111.6	-173	171.8	63.5	23.5	0	0	0	112	Y14 Y67 S68	Y14-D65 HydrophobicContact CE2-CB 4.18Å; D65-Y67 PolarHBondContact O-N 3.46Å; D65-Y67 PolarHBondContact OD1-N 3.2Å; D65-S68 PolarHBondContact N-OG 2.99Å; D65-S68 PolarHBondContact O-N 3Å; D65-S68 PolarHBondContact OD1-N 3.44Å; D65-S68 PolarHBondContact OD1-OG 3.13Å
66	E	89.9	Confident	92.1	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.238	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.1	-179.2	-66.6	85.5	174.4	0	0	113.6	K91 V95 V98 K102	E66-K91 VanDerWaalsContact CD-NZ 3.34Å; E66-K91 WeakPolarHBondContact OE1-CE 3.24Å; E66-K91 IonicContact OE1-NZ 3.12Å; E66-K91 PolarHBondContact OE1-NZ 2.99Å; E66-K91 IonicContact OE2-NZ 2.83Å; E66-V95 HydrophobicContact CG-CG2 4.37Å; E66-V95 WeakPolarHBondContact OE1-CG2 3.23Å; E66-V98 HydrophobicContact CG-CG2 4.46Å; E66-K102 PolarHBondContact O-NZ 3.23Å
67	Y	91.4	Very high	91.8	Very high	207 Å²	207	58.7 Å²	58.7	81%	0.812	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-8.5	-173	-53.7	-68.7	0	0	0	113.3	D65 I69	D65-Y67 PolarHBondContact O-N 3.46Å; D65-Y67 PolarHBondContact OD1-N 3.2Å; Y67-I69 PolarHBondContact O-N 3.19Å
68	S	90.3	Very high	91.7	Very high	31 Å²	31	55.4 Å²	55.4	22%	0.217	29%	0.293	C	S	.	.			trans	-56.4	131.8	-180	-66	0	0	0	0	111.4	D65 K102	D65-S68 PolarHBondContact N-OG 2.99Å; D65-S68 PolarHBondContact O-N 3Å; D65-S68 PolarHBondContact OD1-N 3.44Å; D65-S68 PolarHBondContact OD1-OG 3.13Å; S68-K102 PolarHBondContact O-NZ 3.13Å
69	I	87.2	Confident	91.6	Very high	154 Å²	154	58.2 Å²	58.2	79%	0.79	31%	0.308	S	S	*	.			trans	-71.8	132.2	171.3	-62.1	172.2	0	0	0	107.5	Y67 P71	Y67-I69 PolarHBondContact O-N 3.19Å; I69-P71 VanDerWaalsContact O-CD 3.29Å; I69-P71 WeakPolarHBondContact O-CD 3.25Å
70	F	87.2	Confident	91.6	Very high	22 Å²	22	58 Å²	58	10%	0.096	31%	0.307	C	S	.	.			trans	-88.8	110.4	177.7	-128.7	-100.9	0	0	0	108.7	L12 Q64 Q72 Y74 I99 K102 L103 M106	L12-F70 HydrophobicContact CD1-CE1 4.08Å; L12-F70 HydrophobicContact CD1-CZ 3.88Å; L12-F70 HydrophobicContact CD2-CE1 4.37Å; L12-F70 HydrophobicContact CD2-CZ 4.13Å; Q64-F70 VanDerWaalsContact CD-CE2 3.49Å; F70-Q72 PolarHBondContact O-N 3.05Å; F70-Y74 AromaticContact CD1-CD2 3.94Å; F70-Y74 HydrophobicContact CD1-CD2 3.94Å; F70-Y74 AromaticContact CE1-CD2 3.93Å; F70-Y74 HydrophobicContact CE1-CD2 3.93Å; F70-I99 HydrophobicContact CE2-CB 4.36Å; F70-I99 HydrophobicContact CE2-CG1 4.4Å; F70-I99 HydrophobicContact CE2-CG2 3.86Å; F70-I99 HydrophobicContact CZ-CG2 3.79Å; F70-K102 HydrophobicContact CD2-CB 3.95Å; F70-K102 HydrophobicContact CD2-CD 3.91Å; F70-K102 HydrophobicContact CE2-CB 4.16Å; F70-K102 HydrophobicContact CE2-CD 4.42Å; F70-K102 HydrophobicContact CG-CB 4.32Å; F70-L103 HydrophobicContact CE1-CB 4.34Å; F70-L103 HydrophobicContact CE1-CD1 4.33Å; F70-L103 HydrophobicContact CZ-CB 4.41Å; F70-M106 HydrophobicContact CB-CE 3.62Å; F70-M106 HydrophobicContact CD1-CE 3.67Å; F70-M106 HydrophobicContact CD1-SD 4.07Å; F70-M106 HydrophobicContact CG-CE 4.11Å; F70-M106 VanDerWaalsContact O-CE 3.24Å; F70-M106 WeakPolarHBondContact O-CE 3.28Å
71	P	86.9	Confident	91.8	Very high	46 Å²	46	58 Å²	58	30%	0.299	31%	0.307	S	S	.	.			trans	-59.4	133.1	178.5	-23.6	34.9	0	0	0	111.3	I69 T73 Y74 M106	I69-P71 VanDerWaalsContact O-CD 3.29Å; I69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-T73 WeakPolarHBondContact CB-OG1 3.3Å; P71-T73 PolarHBondContact O-N 2.99Å; P71-T73 VanDerWaalsContact O-N 3.11Å; P71-Y74 HydrophobicContact CB-CD1 4.46Å; P71-Y74 HydrophobicContact CB-CE1 4.39Å; P71-Y74 VanDerWaalsContact CD-CE2 3.45Å; P71-Y74 HydrophobicContact CG-CD2 4.36Å; P71-Y74 HydrophobicContact CG-CE1 4.32Å; P71-Y74 HydrophobicContact CG-CE2 3.9Å; P71-Y74 WeakPolarHBondContact O-CB 3.49Å; P71-Y74 PolarHBondContact O-N 2.89Å; P71-M106 WeakPolarHBondContact O-CE 3.3Å
72	Q	87.8	Confident	91.9	Very high	161 Å²	161	58 Å²	58	75%	0.752	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.6	175.9	-70.1	-171.7	-25.9	0	0	112.9	F70 Y74 S75	F70-Q72 PolarHBondContact O-N 3.05Å; Q72-Y74 PolarHBondContact O-N 3.26Å; Q72-Y74 VanDerWaalsContact O-N 3.14Å; Q72-S75 PolarHBondContact O-N 3.44Å; Q72-S75 VanDerWaalsContact O-N 3.08Å; Q72-S75 PolarHBondContact O-OG 3.23Å
73	T	87.6	Confident	92.1	Very high	75 Å²	75	56.6 Å²	56.6	46%	0.46	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-58.9	-22.6	173.1	51.2	0	0	0	0	112.6	P71 S75 I76	P71-T73 WeakPolarHBondContact CB-OG1 3.3Å; P71-T73 PolarHBondContact O-N 2.99Å; P71-T73 VanDerWaalsContact O-N 3.11Å; T73-S75 PolarHBondContact O-N 2.88Å; T73-I76 PolarHBondContact O-N 3.02Å
74	Y	87.2	Confident	92.3	Very high	10 Å²	10	55.2 Å²	55.2	4%	0.039	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12	176.7	-65.8	-7.3	0	0	0	113.8	L12 E40 T61 F70 P71 Q72 I78 Y81	L12-Y74 HydrophobicContact CD2-CD2 3.61Å; L12-Y74 HydrophobicContact CD2-CE2 3.76Å; L12-Y74 HydrophobicContact CD2-CG 4.34Å; E40-Y74 WeakPolarHBondContact OE2-CE1 3.25Å; E40-Y74 PolarHBondContact OE2-OH 3.33Å; T61-Y74 WeakPolarHBondContact CB-OH 3.16Å; T61-Y74 HydrophobicContact CG2-CD1 4.38Å; T61-Y74 HydrophobicContact CG2-CE1 3.67Å; T61-Y74 HydrophobicContact CG2-CE2 3.92Å; T61-Y74 VanDerWaalsContact CG2-CZ 3.42Å; T61-Y74 WeakPolarHBondContact CG2-OH 3.41Å; F70-Y74 AromaticContact CD1-CD2 3.94Å; F70-Y74 HydrophobicContact CD1-CD2 3.94Å; F70-Y74 AromaticContact CE1-CD2 3.93Å; F70-Y74 HydrophobicContact CE1-CD2 3.93Å; P71-Y74 HydrophobicContact CB-CD1 4.46Å; P71-Y74 HydrophobicContact CB-CE1 4.39Å; P71-Y74 VanDerWaalsContact CD-CE2 3.45Å; P71-Y74 HydrophobicContact CG-CD2 4.36Å; P71-Y74 HydrophobicContact CG-CE1 4.32Å; P71-Y74 HydrophobicContact CG-CE2 3.9Å; P71-Y74 WeakPolarHBondContact O-CB 3.49Å; P71-Y74 PolarHBondContact O-N 2.89Å; Q72-Y74 PolarHBondContact O-N 3.26Å; Q72-Y74 VanDerWaalsContact O-N 3.14Å; Y74-I78 WeakPolarHBondContact O-CG1 3.35Å; Y74-Y81 VanDerWaalsContact O-CE1 3.26Å; Y74-Y81 WeakPolarHBondContact O-CE1 3.39Å; Y74-Y81 PolarHBondContact O-OH 2.73Å
75	S	88.6	Confident	92.6	Very high	45 Å²	45	54.9 Å²	54.9	32%	0.315	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-100.3	-6	171.8	59.7	0	0	0	0	114.3	Q72 T73	Q72-S75 PolarHBondContact O-N 3.44Å; Q72-S75 VanDerWaalsContact O-N 3.08Å; Q72-S75 PolarHBondContact O-OG 3.23Å; T73-S75 PolarHBondContact O-N 2.88Å
76	I	90	Very high	92.8	Very high	87 Å²	87	52 Å²	52	45%	0.446	26%	0.264	S	S	.	.	S	Bend	trans	-88.6	120.1	-172.3	-58.9	176.4	0	0	0	110.6	K8 T73 I78	K8-I76 PolarHBondContact NZ-O 3.23Å; T73-I76 PolarHBondContact O-N 3.02Å; I76-I78 PolarHBondContact O-N 3.05Å; I76-I78 VanDerWaalsContact O-N 3.1Å
77	D	92.5	Very high	93.2	Very high	125 Å²	125	49.5 Å²	49.5	67%	0.668	25%	0.253	S	S	*	.	S	Bend	trans	57	19.1	176.9	-55.2	-39.6	0	0	0	115	K8	K8-D77 WeakPolarHBondContact CB-O 3.2Å; K8-D77 HydrophobicContact CD-CB 4.33Å
78	I	96	Very high	93.6	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.062	22%	0.223	C	C	.	.			trans	-75.5	132.1	177.5	-60	-54.6	0	0	0	110.6	K8 A10 Y74 I76 G80 Y81	K8-I78 HydrophobicContact CD-CD1 3.77Å; K8-I78 HydrophobicContact CG-CD1 3.74Å; A10-I78 HydrophobicContact CB-CD1 3.93Å; A10-I78 HydrophobicContact CB-CG1 4.37Å; A10-I78 HydrophobicContact CB-CG2 4.45Å; Y74-I78 WeakPolarHBondContact O-CG1 3.35Å; I76-I78 PolarHBondContact O-N 3.05Å; I76-I78 VanDerWaalsContact O-N 3.1Å; I78-G80 WeakPolarHBondContact CG2-O 3.01Å; I78-Y81 HydrophobicContact CB-CE1 4.13Å; I78-Y81 HydrophobicContact CB-CE2 4.4Å; I78-Y81 HydrophobicContact CG1-CE1 4.07Å; I78-Y81 HydrophobicContact CG2-CD1 4.03Å; I78-Y81 HydrophobicContact CG2-CD2 4.19Å; I78-Y81 HydrophobicContact CG2-CE1 3.61Å; I78-Y81 HydrophobicContact CG2-CE2 3.8Å; I78-Y81 HydrophobicContact CG2-CG 4.29Å; I78-Y81 VanDerWaalsContact CG2-CZ 3.47Å
79	N	95.9	Very high	94	Very high	60 Å²	60	41.3 Å²	41.3	32%	0.321	22%	0.224	S	C	.	.			trans	-104.5	-5.9	175.7	-49.8	124.7	0	0	0	113.2	R7 K8 P113	R7-N79 VanDerWaalsContact CA-OD1 3.29Å; R7-N79 WeakPolarHBondContact CA-OD1 3.49Å; K8-N79 PolarHBondContact N-OD1 2.97Å; K8-N79 PolarHBondContact O-N 2.97Å; N79-P113 VanDerWaalsContact O-CD 3.26Å; N79-P113 WeakPolarHBondContact O-CD 3.45Å; N79-P113 WeakPolarHBondContact O-CG 3.16Å
80	G	97.9	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	152.2	174.4	0	0	0	0	0	113.4	K8 I9 A10 I78 P113	K8-G80 PolarHBondContact O-N 3.01Å; I9-G80 WeakPolarHBondContact CA-O 3.42Å; A10-G80 PolarHBondContact N-O 3.31Å; I78-G80 WeakPolarHBondContact CG2-O 3.01Å; G80-P113 WeakPolarHBondContact CA-O 3.25Å
81	Y	98.4	Very high	95.1	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132	176.9	-61.4	-83	0	0	0	111	A10 L12 Y74 I78 L103 V107 I112 P113 I114 M115	A10-Y81 HydrophobicContact CB-CD1 3.85Å; A10-Y81 HydrophobicContact CB-CE1 4.04Å; A10-Y81 WeakPolarHBondContact O-CA 3.42Å; L12-Y81 HydrophobicContact CD1-CD1 3.71Å; L12-Y81 HydrophobicContact CD1-CE1 4.33Å; Y74-Y81 VanDerWaalsContact O-CE1 3.26Å; Y74-Y81 WeakPolarHBondContact O-CE1 3.39Å; Y74-Y81 PolarHBondContact O-OH 2.73Å; I78-Y81 HydrophobicContact CB-CE1 4.13Å; I78-Y81 HydrophobicContact CB-CE2 4.4Å; I78-Y81 HydrophobicContact CG1-CE1 4.07Å; I78-Y81 HydrophobicContact CG2-CD1 4.03Å; I78-Y81 HydrophobicContact CG2-CD2 4.19Å; I78-Y81 HydrophobicContact CG2-CE1 3.61Å; I78-Y81 HydrophobicContact CG2-CE2 3.8Å; I78-Y81 HydrophobicContact CG2-CG 4.29Å; I78-Y81 VanDerWaalsContact CG2-CZ 3.47Å; Y81-L103 HydrophobicContact CD1-CD1 3.84Å; Y81-L103 HydrophobicContact CD1-CD2 4.02Å; Y81-L103 HydrophobicContact CD2-CD1 4.12Å; Y81-L103 HydrophobicContact CD2-CD2 3.84Å; Y81-L103 HydrophobicContact CD2-CG 4.47Å; Y81-L103 HydrophobicContact CE1-CD1 3.51Å; Y81-L103 HydrophobicContact CE2-CD1 3.81Å; Y81-L103 HydrophobicContact CE2-CD2 4.34Å; Y81-L103 HydrophobicContact CG-CD1 4.13Å; Y81-L103 HydrophobicContact CG-CD2 3.66Å; Y81-V107 HydrophobicContact CE2-CG1 4Å; Y81-V107 WeakPolarHBondContact OH-CG1 2.92Å; Y81-I112 HydrophobicContact CD2-CB 4.31Å; Y81-I112 HydrophobicContact CD2-CG2 3.67Å; Y81-I112 HydrophobicContact CE2-CB 4.04Å; Y81-I112 HydrophobicContact CE2-CD1 3.88Å; Y81-I112 HydrophobicContact CE2-CG2 3.56Å; Y81-P113 PolarHBondContact N-O 2.89Å; Y81-I114 HydrophobicContact CD2-CG1 4.45Å; Y81-I114 WeakPolarHBondContact O-CA 3.41Å; Y81-M115 PolarHBondContact O-N 3.42Å
82	I	98.8	Very high	95.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.3	167.2	-60.7	170.5	0	0	0	107.6	I9 A10 I11 L12 V84 M115 V117 V159 F160 I163	I9-I82 HydrophobicContact CG2-CD1 3.79Å; I9-I82 HydrophobicContact CG2-CG1 3.88Å; A10-I82 PolarHBondContact O-N 3.49Å; I11-I82 WeakPolarHBondContact CA-O 3.45Å; I11-I82 HydrophobicContact CG1-CB 4.34Å; I11-I82 HydrophobicContact CG1-CD1 4.29Å; I11-I82 HydrophobicContact CG2-CB 4.47Å; I11-I82 HydrophobicContact CG2-CG2 4.46Å; L12-I82 PolarHBondContact N-O 3.27Å; I82-V84 HydrophobicContact CG2-CG2 3.76Å; I82-M115 CarbonylContact C-O 3.55Å; I82-M115 WeakPolarHBondContact CA-O 3.42Å; I82-V117 HydrophobicContact CG2-CB 4.34Å; I82-V117 HydrophobicContact CG2-CG2 3.63Å; I82-V159 HydrophobicContact CD1-CG1 3.86Å; I82-V159 HydrophobicContact CG2-CG1 4.24Å; I82-F160 HydrophobicContact CD1-CD1 3.71Å; I82-F160 HydrophobicContact CD1-CE1 3.56Å; I82-F160 HydrophobicContact CD1-CZ 4.28Å; I82-I163 HydrophobicContact CD1-CG2 4.03Å; I82-I163 HydrophobicContact CG1-CB 4.28Å; I82-I163 HydrophobicContact CG1-CG1 4.25Å; I82-I163 HydrophobicContact CG1-CG2 4.31Å
83	L	98.8	Very high	96.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.2	176.4	-62.9	-166.7	0	0	0	108.8	L12 I96 I99 H100 L103 I114 M115 L116 V117 W141	L12-L83 HydrophobicContact CB-CD2 3.72Å; L12-L83 HydrophobicContact CD1-CD2 3.85Å; L12-L83 HydrophobicContact CG-CD2 4.37Å; L83-I96 HydrophobicContact CB-CD1 3.75Å; L83-I96 HydrophobicContact CB-CG1 3.9Å; L83-I96 HydrophobicContact CD2-CD1 4.44Å; L83-I99 HydrophobicContact CD2-CG2 4.14Å; L83-H100 HydrophobicContact CD1-CB 3.81Å; L83-L103 HydrophobicContact CD2-CD2 4.26Å; L83-I114 HydrophobicContact CD1-CG2 3.83Å; L83-I114 HydrophobicContact CG-CG2 3.99Å; L83-M115 PolarHBondContact N-O 2.89Å; L83-L116 HydrophobicContact CB-CD1 4.2Å; L83-L116 CarbonylContact O-C 3.59Å; L83-L116 WeakPolarHBondContact O-CA 3.27Å; L83-L116 WeakPolarHBondContact O-CD1 3.28Å; L83-V117 PolarHBondContact O-N 3.16Å; L83-W141 HydrophobicContact CD1-CE3 4.41Å; L83-W141 HydrophobicContact CD1-CH2 4.43Å; L83-W141 HydrophobicContact CD1-CZ3 3.77Å
84	V	98.9	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.4	-173.4	-169.1	0	0	0	0	110.5	I11 L12 G13 V17 K19 L22 I82 V117 N119	I11-V84 HydrophobicContact CG2-CG2 3.67Å; L12-V84 PolarHBondContact O-N 3.23Å; G13-V84 WeakPolarHBondContact CA-O 3.26Å; V17-V84 HydrophobicContact CB-CG1 4.21Å; V17-V84 HydrophobicContact CG2-CB 3.93Å; V17-V84 HydrophobicContact CG2-CG1 3.75Å; K19-V84 HydrophobicContact CG-CB 4.15Å; K19-V84 HydrophobicContact CG-CG2 4.25Å; L22-V84 HydrophobicContact CD1-CG1 4.11Å; L22-V84 HydrophobicContact CD1-CG2 4.36Å; I82-V84 HydrophobicContact CG2-CG2 3.76Å; V84-V117 WeakPolarHBondContact CA-O 3.46Å; V84-V117 HydrophobicContact CG2-CB 4.46Å; V84-N119 HydrophobicContact CG1-CB 3.82Å
85	Y	98.9	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	168.2	162	76.7	-81.7	0	0	0	109.4	V87 F93 L116 V117 G118 N119 I129 G134 F145	Y85-V87 HydrophobicContact CE2-CG1 4.12Å; Y85-F93 HydrophobicContact CD1-CD2 4.07Å; Y85-F93 HydrophobicContact CD2-CB 4.07Å; Y85-F93 AromaticContact CD2-CD2 3.62Å; Y85-F93 HydrophobicContact CD2-CD2 3.62Å; Y85-F93 HydrophobicContact CD2-CG 4.29Å; Y85-F93 HydrophobicContact CE1-CD2 4.1Å; Y85-F93 HydrophobicContact CE1-CE2 4.2Å; Y85-F93 AromaticContact CE2-CD2 3.69Å; Y85-F93 HydrophobicContact CE2-CD2 3.69Å; Y85-F93 HydrophobicContact CE2-CE2 4.24Å; Y85-F93 AromaticContact CG-CD2 3.83Å; Y85-F93 HydrophobicContact CG-CD2 3.83Å; Y85-F93 AromaticContact CZ-CD2 3.93Å; Y85-L116 HydrophobicContact CD1-CD1 3.69Å; Y85-L116 HydrophobicContact CD1-CG 4.16Å; Y85-L116 HydrophobicContact CE1-CD1 4.06Å; Y85-L116 HydrophobicContact CE1-CD2 4.24Å; Y85-L116 HydrophobicContact CE1-CG 4.01Å; Y85-V117 WeakPolarHBondContact CD1-O 3.34Å; Y85-V117 PolarHBondContact N-O 3.44Å; Y85-G118 VanDerWaalsContact CZ-CA 3.44Å; Y85-N119 PolarHBondContact O-N 2.87Å; Y85-I129 HydrophobicContact CE2-CB 4.06Å; Y85-I129 HydrophobicContact CE2-CG1 4.39Å; Y85-I129 HydrophobicContact CE2-CG2 3.75Å; Y85-G134 WeakPolarHBondContact OH-CA 3.35Å; Y85-F145 HydrophobicContact CE1-CE2 4.27Å
86	S	98.8	Very high	97.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.6	171.4	-177.7	0	0	0	0	110.1	T88 S89 S92 N119 K120	S86-T88 PolarHBondContact O-N 2.8Å; S86-T88 PolarHBondContact OG-N 3.47Å; S86-T88 PolarHBondContact OG-OG1 3.06Å; S86-T88 VanDerWaalsContact OG-OG1 3.14Å; S86-S89 PolarHBondContact O-N 2.89Å; S86-S92 PolarHBondContact N-OG 2.9Å; S86-S92 PolarHBondContact O-OG 2.89Å; S86-N119 WeakPolarHBondContact CA-O 3.42Å; S86-K120 VanDerWaalsContact OG-CD 3.3Å; S86-K120 WeakPolarHBondContact OG-CD 3.41Å
87	V	98.9	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.2	178	-53.8	0	0	0	0	113	Y85 N119 K120 R127 V128 I129	Y85-V87 HydrophobicContact CE2-CG1 4.12Å; V87-N119 PolarHBondContact N-O 2.82Å; V87-K120 WeakPolarHBondContact CG2-O 3.46Å; V87-R127 HydrophobicContact CB-CG 4.4Å; V87-R127 HydrophobicContact CG2-CG 4.47Å; V87-V128 PolarHBondContact O-N 3.15Å; V87-I129 PolarHBondContact O-N 3.13Å
88	T	98.7	Very high	98.4	Very high	31 Å²	31	27.3 Å²	27.3	19%	0.19	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	7.8	177.1	71.2	0	0	0	0	113.3	S86 L123 E126 V128	S86-T88 PolarHBondContact O-N 2.8Å; S86-T88 PolarHBondContact OG-N 3.47Å; S86-T88 PolarHBondContact OG-OG1 3.06Å; S86-T88 VanDerWaalsContact OG-OG1 3.14Å; T88-L123 HydrophobicContact CG2-CB 3.67Å; T88-L123 HydrophobicContact CG2-CD1 3.98Å; T88-L123 HydrophobicContact CG2-CG 4.45Å; T88-E126 WeakPolarHBondContact CA-O 3.45Å; T88-E126 WeakPolarHBondContact CB-O 3.35Å; T88-E126 HydrophobicContact CG2-CB 3.62Å; T88-E126 WeakPolarHBondContact CG2-O 3.43Å; T88-V128 VanDerWaalsContact C-CG2 3.45Å
89	S	98.7	Very high	98.4	Very high	34 Å²	34	26.7 Å²	26.7	24%	0.238	14%	0.136	C	C	.	.			trans	-138.5	102.8	-177.2	-179.8	0	0	0	0	112.9	S86 K91 S92 F93	S86-S89 PolarHBondContact O-N 2.89Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.26Å; S89-S92 WeakPolarHBondContact CB-OG 3.38Å; S89-S92 PolarHBondContact O-N 3.05Å; S89-S92 VanDerWaalsContact O-N 3.11Å; S89-S92 PolarHBondContact O-OG 2.84Å; S89-S92 PolarHBondContact OG-N 3.01Å; S89-F93 PolarHBondContact O-N 3.02Å
90	I	98.8	Very high	98.4	Very high	89 Å²	89	24.7 Å²	24.7	46%	0.456	12%	0.124	S	C	.	.	H	α-helix	trans	-53.4	-46.4	171.2	-60.1	175.6	0	0	0	110.5	S92 F93 E94 V128 I129	I90-S92 VanDerWaalsContact C-N 3.29Å; I90-S92 PolarHBondContact O-N 3.48Å; I90-F93 CarbonylContact O-C 3.53Å; I90-F93 WeakPolarHBondContact O-CA 3.38Å; I90-F93 WeakPolarHBondContact O-CB 3.39Å; I90-F93 PolarHBondContact O-N 2.79Å; I90-E94 HydrophobicContact CG2-CG 4.37Å; I90-E94 PolarHBondContact O-N 3.05Å; I90-V128 HydrophobicContact CD1-CB 4.38Å; I90-V128 HydrophobicContact CD1-CG2 4.44Å; I90-V128 HydrophobicContact CG1-CB 4.04Å; I90-V128 HydrophobicContact CG1-CG2 3.63Å; I90-I129 HydrophobicContact CG1-CD1 4.11Å
91	K	98.6	Very high	98.3	Very high	83 Å²	83	26 Å²	26	36%	0.361	14%	0.138	S	C	.	.	H	α-helix	trans	-55.9	-42.7	178.2	-175.2	58.4	166.3	-175.8	0	112.4	Y14 E66 S89 F93 E94 V95	Y14-K91 HydrophobicContact CE1-CG 4.15Å; E66-K91 VanDerWaalsContact CD-NZ 3.34Å; E66-K91 WeakPolarHBondContact OE1-CE 3.24Å; E66-K91 IonicContact OE1-NZ 3.12Å; E66-K91 PolarHBondContact OE1-NZ 2.99Å; E66-K91 IonicContact OE2-NZ 2.83Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.26Å; K91-F93 VanDerWaalsContact C-N 3.28Å; K91-F93 PolarHBondContact O-N 2.83Å; K91-E94 PolarHBondContact O-N 3.12Å; K91-V95 HydrophobicContact CD-CG2 4.15Å; K91-V95 HydrophobicContact CG-CG2 4.37Å; K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.25Å; K91-V95 WeakPolarHBondContact O-CG2 3.46Å; K91-V95 PolarHBondContact O-N 3.12Å
92	S	98.8	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-33.7	177.8	77.6	0	0	0	0	112.7	S86 S89 I90 I96	S86-S92 PolarHBondContact N-OG 2.9Å; S86-S92 PolarHBondContact O-OG 2.89Å; S89-S92 WeakPolarHBondContact CB-OG 3.38Å; S89-S92 PolarHBondContact O-N 3.05Å; S89-S92 VanDerWaalsContact O-N 3.11Å; S89-S92 PolarHBondContact O-OG 2.84Å; S89-S92 PolarHBondContact OG-N 3.01Å; I90-S92 VanDerWaalsContact C-N 3.29Å; I90-S92 PolarHBondContact O-N 3.48Å; S92-I96 WeakPolarHBondContact O-CB 3.44Å; S92-I96 PolarHBondContact O-N 3.16Å
93	F	98.9	Very high	97.9	Very high	14 Å²	14	28.3 Å²	28.3	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-75.5	-27.3	177.5	-170.6	-111.5	0	0	0	113	Y85 S89 I90 K91 I96 K97 I129 E133 L137	Y85-F93 HydrophobicContact CD1-CD2 4.07Å; Y85-F93 HydrophobicContact CD2-CB 4.07Å; Y85-F93 AromaticContact CD2-CD2 3.62Å; Y85-F93 HydrophobicContact CD2-CD2 3.62Å; Y85-F93 HydrophobicContact CD2-CG 4.29Å; Y85-F93 HydrophobicContact CE1-CD2 4.1Å; Y85-F93 HydrophobicContact CE1-CE2 4.2Å; Y85-F93 AromaticContact CE2-CD2 3.69Å; Y85-F93 HydrophobicContact CE2-CD2 3.69Å; Y85-F93 HydrophobicContact CE2-CE2 4.24Å; Y85-F93 AromaticContact CG-CD2 3.83Å; Y85-F93 HydrophobicContact CG-CD2 3.83Å; Y85-F93 AromaticContact CZ-CD2 3.93Å; S89-F93 PolarHBondContact O-N 3.02Å; I90-F93 CarbonylContact O-C 3.53Å; I90-F93 WeakPolarHBondContact O-CA 3.38Å; I90-F93 WeakPolarHBondContact O-CB 3.39Å; I90-F93 PolarHBondContact O-N 2.79Å; K91-F93 VanDerWaalsContact C-N 3.28Å; K91-F93 PolarHBondContact O-N 2.83Å; F93-I96 HydrophobicContact CD2-CG2 4.46Å; F93-I96 WeakPolarHBondContact O-CG2 3.46Å; F93-K97 WeakPolarHBondContact O-CE 3.39Å; F93-K97 WeakPolarHBondContact O-CG 3.44Å; F93-I129 HydrophobicContact CB-CD1 4.01Å; F93-I129 HydrophobicContact CB-CG1 4Å; F93-I129 HydrophobicContact CD1-CD1 3.88Å; F93-I129 HydrophobicContact CD1-CG1 4.47Å; F93-I129 HydrophobicContact CD1-CG2 4.38Å; F93-I129 HydrophobicContact CD2-CG2 4.1Å; F93-I129 HydrophobicContact CE1-CG2 4.41Å; F93-I129 HydrophobicContact CE2-CG2 4.14Å; F93-I129 HydrophobicContact CG-CD1 4.04Å; F93-I129 HydrophobicContact CG-CG1 4.17Å; F93-I129 HydrophobicContact CG-CG2 4.21Å; F93-I129 HydrophobicContact CZ-CG2 4.29Å; F93-E133 HydrophobicContact CE1-CB 4.49Å; F93-E133 HydrophobicContact CZ-CB 4.24Å; F93-L137 HydrophobicContact CD2-CD2 4.2Å; F93-L137 HydrophobicContact CE1-CD2 4.44Å; F93-L137 HydrophobicContact CE2-CB 4.31Å; F93-L137 HydrophobicContact CE2-CD2 3.46Å; F93-L137 VanDerWaalsContact CE2-CD2 3.46Å; F93-L137 HydrophobicContact CZ-CB 4.04Å; F93-L137 HydrophobicContact CZ-CD2 3.61Å; F93-L137 HydrophobicContact CZ-CG 4.42Å
94	E	98.7	Very high	97.6	Very high	97 Å²	97	31.8 Å²	31.8	45%	0.453	17%	0.166	S	C	.	.	H	α-helix	trans	-73.8	-49.7	169.8	-68.1	172.1	163.4	0	0	111	I90 K91 I96 K97	I90-E94 HydrophobicContact CG2-CG 4.37Å; I90-E94 PolarHBondContact O-N 3.05Å; K91-E94 PolarHBondContact O-N 3.12Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.37Å; E94-K97 WeakPolarHBondContact O-CB 3.3Å; E94-K97 PolarHBondContact O-N 3.34Å; E94-K97 VanDerWaalsContact O-N 3.16Å
95	V	98.5	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-36.4	-178.8	172.9	0	0	0	0	111.7	Y14 Q64 E66 K91 K97 V98 I99	Y14-V95 HydrophobicContact CD2-CB 4.24Å; Y14-V95 HydrophobicContact CD2-CG1 4.02Å; Y14-V95 HydrophobicContact CD2-CG2 3.97Å; Y14-V95 HydrophobicContact CE2-CG2 4.37Å; Q64-V95 WeakPolarHBondContact O-CG1 3.35Å; E66-V95 HydrophobicContact CG-CG2 4.37Å; E66-V95 WeakPolarHBondContact OE1-CG2 3.23Å; K91-V95 HydrophobicContact CD-CG2 4.15Å; K91-V95 HydrophobicContact CG-CG2 4.37Å; K91-V95 WeakPolarHBondContact O-CB 3.45Å; K91-V95 VanDerWaalsContact O-CG2 3.25Å; K91-V95 WeakPolarHBondContact O-CG2 3.46Å; K91-V95 PolarHBondContact O-N 3.12Å; V95-K97 PolarHBondContact O-N 3.42Å; V95-V98 WeakPolarHBondContact O-CA 3.42Å; V95-V98 WeakPolarHBondContact O-CB 3.21Å; V95-V98 PolarHBondContact O-N 2.9Å; V95-I99 HydrophobicContact CG1-CD1 3.76Å; V95-I99 HydrophobicContact CG1-CG1 4.05Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.37Å
96	I	98.6	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-27.9	-179.8	-158.4	61.3	0	0	0	112.4	L83 S92 F93 E94 I99 H100 L116 L137 W141	L83-I96 HydrophobicContact CB-CD1 3.75Å; L83-I96 HydrophobicContact CB-CG1 3.9Å; L83-I96 HydrophobicContact CD2-CD1 4.44Å; S92-I96 WeakPolarHBondContact O-CB 3.44Å; S92-I96 PolarHBondContact O-N 3.16Å; F93-I96 HydrophobicContact CD2-CG2 4.46Å; F93-I96 WeakPolarHBondContact O-CG2 3.46Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.37Å; I96-I99 HydrophobicContact CD1-CB 4.3Å; I96-I99 HydrophobicContact CD1-CD1 4.22Å; I96-I99 HydrophobicContact CD1-CG2 4.22Å; I96-H100 WeakPolarHBondContact O-CB 3.26Å; I96-H100 PolarHBondContact O-N 3.37Å; I96-L116 HydrophobicContact CG1-CD1 4.03Å; I96-L116 HydrophobicContact CG2-CD1 4.36Å; I96-L137 HydrophobicContact CG2-CD2 4.38Å; I96-W141 HydrophobicContact CG2-CH2 4.32Å
97	K	98.6	Very high	96.5	Very high	92 Å²	92	41.8 Å²	41.8	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-39.2	173.7	-59.1	168	-174.1	174	0	111.4	F93 E94 V95 H100 G101 L137 W141	F93-K97 WeakPolarHBondContact O-CE 3.39Å; F93-K97 WeakPolarHBondContact O-CG 3.44Å; E94-K97 WeakPolarHBondContact O-CB 3.3Å; E94-K97 PolarHBondContact O-N 3.34Å; E94-K97 VanDerWaalsContact O-N 3.16Å; V95-K97 PolarHBondContact O-N 3.42Å; K97-H100 PolarHBondContact O-N 3.38Å; K97-G101 PolarHBondContact O-N 3.49Å; K97-L137 HydrophobicContact CD-CD1 4.44Å; K97-L137 HydrophobicContact CG-CD1 4.14Å; K97-L137 HydrophobicContact CG-CD2 3.93Å; K97-W141 HydrophobicContact CB-CZ2 4.38Å; K97-W141 HydrophobicContact CG-CZ2 4.08Å
98	V	97.6	Very high	96	Very high	56 Å²	56	44 Å²	44	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-45.3	174.4	179	0	0	0	0	110.8	E66 V95 H100 G101 K102	E66-V98 HydrophobicContact CG-CG2 4.46Å; V95-V98 WeakPolarHBondContact O-CA 3.42Å; V95-V98 WeakPolarHBondContact O-CB 3.21Å; V95-V98 PolarHBondContact O-N 2.9Å; V98-H100 VanDerWaalsContact C-N 3.31Å; V98-H100 PolarHBondContact O-N 2.65Å; V98-G101 PolarHBondContact O-N 3.06Å; V98-K102 HydrophobicContact CG1-CD 4.36Å; V98-K102 WeakPolarHBondContact O-CG 3.45Å; V98-K102 PolarHBondContact O-N 3.08Å
99	I	96.9	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-44.2	175.4	-70.2	174.6	0	0	0	110.6	L12 Q64 F70 L83 V95 I96 K102 L103	L12-I99 HydrophobicContact CB-CG2 4.05Å; Q64-I99 HydrophobicContact CB-CD1 3.93Å; Q64-I99 HydrophobicContact CB-CG1 4.36Å; F70-I99 HydrophobicContact CE2-CB 4.36Å; F70-I99 HydrophobicContact CE2-CG1 4.4Å; F70-I99 HydrophobicContact CE2-CG2 3.86Å; F70-I99 HydrophobicContact CZ-CG2 3.79Å; L83-I99 HydrophobicContact CD2-CG2 4.14Å; V95-I99 HydrophobicContact CG1-CD1 3.76Å; V95-I99 HydrophobicContact CG1-CG1 4.05Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.37Å; I96-I99 HydrophobicContact CD1-CB 4.3Å; I96-I99 HydrophobicContact CD1-CD1 4.22Å; I96-I99 HydrophobicContact CD1-CG2 4.22Å; I99-K102 PolarHBondContact O-N 2.86Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.37Å
100	H	96.2	Very high	94.2	Very high	17 Å²	17	55.7 Å²	55.7	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-45.6	175.8	178	-107.2	0	0	0	112.1	L83 I96 K97 V98 L103 L104 W141	L83-H100 HydrophobicContact CD1-CB 3.81Å; I96-H100 WeakPolarHBondContact O-CB 3.26Å; I96-H100 PolarHBondContact O-N 3.37Å; K97-H100 PolarHBondContact O-N 3.38Å; V98-H100 VanDerWaalsContact C-N 3.31Å; V98-H100 PolarHBondContact O-N 2.65Å; H100-L103 WeakPolarHBondContact O-CB 3.33Å; H100-L103 PolarHBondContact O-N 3.02Å; H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.5Å; H100-L104 WeakPolarHBondContact O-CG 3.23Å; H100-L104 PolarHBondContact O-N 2.82Å; H100-W141 HydrophobicContact CB-CE3 4.41Å; H100-W141 HydrophobicContact CB-CH2 3.61Å; H100-W141 HydrophobicContact CB-CZ2 3.72Å; H100-W141 HydrophobicContact CB-CZ3 3.98Å; H100-W141 AromaticContact CD2-CD2 3.78Å; H100-W141 AromaticContact CD2-CE3 3.67Å; H100-W141 AromaticContact CE1-CD1 3.46Å; H100-W141 VanDerWaalsContact CE1-CD1 3.46Å; H100-W141 AromaticContact CE1-CD2 3.53Å; H100-W141 AromaticContact CE1-CE2 3.76Å; H100-W141 AromaticContact CE1-CG 3.34Å; H100-W141 AromaticContact CE1-NE1 3.72Å; H100-W141 AromaticContact CG-CD2 3.73Å; H100-W141 AromaticContact CG-CE2 3.68Å; H100-W141 AromaticContact CG-CE3 3.86Å; H100-W141 AromaticContact CG-CH2 3.9Å; H100-W141 AromaticContact CG-CZ2 3.77Å; H100-W141 AromaticContact CG-CZ3 3.94Å; H100-W141 AromaticContact ND1-CD1 3.78Å; H100-W141 AromaticContact ND1-CD2 3.6Å; H100-W141 AromaticContact ND1-CE2 3.38Å; H100-W141 AromaticContact ND1-CG 3.84Å; H100-W141 AromaticContact ND1-CZ2 3.82Å; H100-W141 AromaticContact ND1-NE1 3.52Å; H100-W141 AromaticContact NE2-CD2 3.67Å; H100-W141 AromaticContact NE2-CE3 3.92Å; H100-W141 AromaticContact NE2-CG 3.63Å
101	G	94.8	Very high	93.6	Very high	28 Å²	28	59.4 Å²	59.4	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-50.1	175.3	0	0	0	0	0	112.8	K97 V98 L103 L104 D105	K97-G101 PolarHBondContact O-N 3.49Å; V98-G101 PolarHBondContact O-N 3.06Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 3.46Å; G101-L104 PolarHBondContact O-N 2.91Å; G101-L104 VanDerWaalsContact O-N 3.17Å; G101-D105 PolarHBondContact O-N 3.2Å
102	K	94.4	Very high	93.3	Very high	50 Å²	50	57 Å²	57	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-39.2	176.2	-70.1	178.1	179.9	178.1	0	112.4	E66 S68 F70 V98 I99 D105 M106	E66-K102 PolarHBondContact O-NZ 3.23Å; S68-K102 PolarHBondContact O-NZ 3.13Å; F70-K102 HydrophobicContact CD2-CB 3.95Å; F70-K102 HydrophobicContact CD2-CD 3.91Å; F70-K102 HydrophobicContact CE2-CB 4.16Å; F70-K102 HydrophobicContact CE2-CD 4.42Å; F70-K102 HydrophobicContact CG-CB 4.32Å; V98-K102 HydrophobicContact CG1-CD 4.36Å; V98-K102 WeakPolarHBondContact O-CG 3.45Å; V98-K102 PolarHBondContact O-N 3.08Å; I99-K102 PolarHBondContact O-N 2.86Å; K102-D105 PolarHBondContact O-N 2.71Å; K102-M106 WeakPolarHBondContact O-CB 3.33Å; K102-M106 PolarHBondContact O-N 3.39Å; K102-M106 VanDerWaalsContact O-N 3.09Å
103	L	93.9	Very high	93.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-47.6	176.7	175.1	63.9	0	0	0	111	L12 F70 Y81 L83 I99 H100 G101 D105 M106 V107 I114	L12-L103 HydrophobicContact CD1-CD1 4.44Å; L12-L103 HydrophobicContact CD1-CD2 4.38Å; F70-L103 HydrophobicContact CE1-CB 4.34Å; F70-L103 HydrophobicContact CE1-CD1 4.33Å; F70-L103 HydrophobicContact CZ-CB 4.41Å; Y81-L103 HydrophobicContact CD1-CD1 3.84Å; Y81-L103 HydrophobicContact CD1-CD2 4.02Å; Y81-L103 HydrophobicContact CD2-CD1 4.12Å; Y81-L103 HydrophobicContact CD2-CD2 3.84Å; Y81-L103 HydrophobicContact CD2-CG 4.47Å; Y81-L103 HydrophobicContact CE1-CD1 3.51Å; Y81-L103 HydrophobicContact CE2-CD1 3.81Å; Y81-L103 HydrophobicContact CE2-CD2 4.34Å; Y81-L103 HydrophobicContact CG-CD1 4.13Å; Y81-L103 HydrophobicContact CG-CD2 3.66Å; L83-L103 HydrophobicContact CD2-CD2 4.26Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.37Å; H100-L103 WeakPolarHBondContact O-CB 3.33Å; H100-L103 PolarHBondContact O-N 3.02Å; G101-L103 VanDerWaalsContact C-N 3.27Å; G101-L103 PolarHBondContact O-N 3.46Å; L103-D105 VanDerWaalsContact C-N 3.35Å; L103-D105 PolarHBondContact O-N 2.9Å; L103-M106 PolarHBondContact O-N 2.81Å; L103-M106 VanDerWaalsContact O-N 3.15Å; L103-V107 HydrophobicContact CD1-CG1 3.8Å; L103-V107 HydrophobicContact CG-CG1 4.47Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 3.22Å; L103-I114 HydrophobicContact CD2-CD1 4.01Å; L103-I114 HydrophobicContact CD2-CG1 4.44Å
104	L	93.1	Very high	93.1	Very high	74 Å²	74	58 Å²	58	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-42.1	177.8	-68.3	-175.2	0	0	0	112.2	H100 G101 M106 G108 I114	H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.5Å; H100-L104 WeakPolarHBondContact O-CG 3.23Å; H100-L104 PolarHBondContact O-N 2.82Å; G101-L104 PolarHBondContact O-N 2.91Å; G101-L104 VanDerWaalsContact O-N 3.17Å; L104-M106 PolarHBondContact O-N 2.75Å; L104-G108 WeakPolarHBondContact O-CA 3.09Å; L104-G108 PolarHBondContact O-N 3.45Å; L104-I114 HydrophobicContact CD2-CD1 4.19Å
105	D	92.2	Very high	93.1	Very high	141 Å²	141	53.3 Å²	53.3	75%	0.754	28%	0.284	S	S	*	.	H	α-helix	trans	-61	-35.7	175.8	-69.3	-24.2	0	0	0	111.8	G101 K102 L103	G101-D105 PolarHBondContact O-N 3.2Å; K102-D105 PolarHBondContact O-N 2.71Å; L103-D105 VanDerWaalsContact C-N 3.35Å; L103-D105 PolarHBondContact O-N 2.9Å
106	M	91.3	Very high	93.1	Very high	51 Å²	51	53.3 Å²	53.3	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-76.3	-46.4	179.8	-175.7	-178	-75.7	0	0	113.3	F70 P71 K102 L103 L104 G108	F70-M106 HydrophobicContact CB-CE 3.62Å; F70-M106 HydrophobicContact CD1-CE 3.67Å; F70-M106 HydrophobicContact CD1-SD 4.07Å; F70-M106 HydrophobicContact CG-CE 4.11Å; F70-M106 VanDerWaalsContact O-CE 3.24Å; F70-M106 WeakPolarHBondContact O-CE 3.28Å; P71-M106 WeakPolarHBondContact O-CE 3.3Å; K102-M106 WeakPolarHBondContact O-CB 3.33Å; K102-M106 PolarHBondContact O-N 3.39Å; K102-M106 VanDerWaalsContact O-N 3.09Å; L103-M106 PolarHBondContact O-N 2.81Å; L103-M106 VanDerWaalsContact O-N 3.15Å; L104-M106 PolarHBondContact O-N 2.75Å; M106-G108 VanDerWaalsContact C-N 3.33Å
107	V	90.2	Very high	93.2	Very high	20 Å²	20	53.3 Å²	53.3	12%	0.121	28%	0.284	C	S	.	.	H	α-helix	trans	-80.5	-17.4	-177.8	-55.8	0	0	0	0	112.6	Y81 L103 K109 V110 I112	Y81-V107 HydrophobicContact CE2-CG1 4Å; Y81-V107 WeakPolarHBondContact OH-CG1 2.92Å; L103-V107 HydrophobicContact CD1-CG1 3.8Å; L103-V107 HydrophobicContact CG-CG1 4.47Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 3.22Å; V107-K109 PolarHBondContact O-N 2.82Å; V107-V110 WeakPolarHBondContact O-CG2 3.15Å; V107-V110 PolarHBondContact O-N 3Å; V107-I112 HydrophobicContact CB-CD1 4.48Å; V107-I112 HydrophobicContact CG1-CD1 4.27Å
108	G	87.6	Confident	93.2	Very high	47 Å²	47	49 Å²	49	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-131.2	180	0	0	0	0	0	112.3	L104 M106 V110	L104-G108 WeakPolarHBondContact O-CA 3.09Å; L104-G108 PolarHBondContact O-N 3.45Å; M106-G108 VanDerWaalsContact C-N 3.33Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 2.89Å
109	K	81.6	Confident	93.2	Very high	214 Å²	214	46.4 Å²	46.4	93%	0.93	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	0.8	-177.4	-61.6	-174.3	-178.9	180	0	113.8	V107 Q111	V107-K109 PolarHBondContact O-N 2.82Å; K109-Q111 PolarHBondContact O-N 2.61Å
110	V	79.3	Confident	93.3	Very high	95 Å²	95	49.1 Å²	49.1	58%	0.576	26%	0.262	S	S	*	.			trans	-70.6	119.7	-179.4	-174.7	0	0	0	0	108.4	V107 G108 I112	V107-V110 WeakPolarHBondContact O-CG2 3.15Å; V107-V110 PolarHBondContact O-N 3Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 2.89Å; V110-I112 HydrophobicContact CG1-CD1 4.14Å; V110-I112 HydrophobicContact CG1-CG1 3.88Å; V110-I112 PolarHBondContact O-N 2.85Å
111	Q	85.8	Confident	93.4	Very high	168 Å²	168	50.7 Å²	50.7	79%	0.785	27%	0.268	S	S	*	.			trans	-77.4	109.5	177.2	-68.6	-167.6	-9.9	0	0	109.4	K109 M170	K109-Q111 PolarHBondContact O-N 2.61Å; Q111-M170 VanDerWaalsContact C-CE 3.46Å; Q111-M170 HydrophobicContact CB-CE 3.43Å; Q111-M170 VanDerWaalsContact CB-CE 3.43Å
112	I	91.8	Very high	93.5	Very high	31 Å²	31	51.1 Å²	51.1	16%	0.159	26%	0.264	C	S	.	.			trans	-123.3	136.4	175.6	-58.4	178.2	0	0	0	107.2	Y81 V107 V110 I114	Y81-I112 HydrophobicContact CD2-CB 4.31Å; Y81-I112 HydrophobicContact CD2-CG2 3.67Å; Y81-I112 HydrophobicContact CE2-CB 4.04Å; Y81-I112 HydrophobicContact CE2-CD1 3.88Å; Y81-I112 HydrophobicContact CE2-CG2 3.56Å; V107-I112 HydrophobicContact CB-CD1 4.48Å; V107-I112 HydrophobicContact CG1-CD1 4.27Å; V110-I112 HydrophobicContact CG1-CD1 4.14Å; V110-I112 HydrophobicContact CG1-CG1 3.88Å; V110-I112 PolarHBondContact O-N 2.85Å; I112-I114 PolarHBondContact O-N 3.42Å
113	P	96.7	Very high	93.6	Very high	11 Å²	11	50.6 Å²	50.6	7%	0.071	26%	0.263	C	S	.	.			trans	-62.9	132	179.8	27.4	-37.5	0	0	0	110.7	N79 G80 Y81 I163 E166 A167 M170	N79-P113 VanDerWaalsContact O-CD 3.26Å; N79-P113 WeakPolarHBondContact O-CD 3.45Å; N79-P113 WeakPolarHBondContact O-CG 3.16Å; G80-P113 WeakPolarHBondContact CA-O 3.25Å; Y81-P113 PolarHBondContact N-O 2.89Å; P113-I163 HydrophobicContact CB-CD1 4.01Å; P113-I163 HydrophobicContact CG-CD1 4.27Å; P113-E166 HydrophobicContact CB-CB 3.76Å; P113-A167 HydrophobicContact CG-CB 3.9Å; P113-M170 VanDerWaalsContact CA-SD 3.52Å; P113-M170 HydrophobicContact CB-SD 3.63Å; P113-M170 VanDerWaalsContact CD-SD 3.56Å; P113-M170 HydrophobicContact CG-SD 4.16Å; P113-M170 VanDerWaalsContact N-SD 3.38Å
114	I	97.9	Very high	93.6	Very high	24 Å²	24	57 Å²	57	12%	0.123	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.6	173.3	-61.5	177.8	0	0	0	107.8	Y81 L83 L103 L104 I112 A143 A144	Y81-I114 HydrophobicContact CD2-CG1 4.45Å; Y81-I114 WeakPolarHBondContact O-CA 3.41Å; L83-I114 HydrophobicContact CD1-CG2 3.83Å; L83-I114 HydrophobicContact CG-CG2 3.99Å; L103-I114 HydrophobicContact CD2-CD1 4.01Å; L103-I114 HydrophobicContact CD2-CG1 4.44Å; L104-I114 HydrophobicContact CD2-CD1 4.19Å; I112-I114 PolarHBondContact O-N 3.42Å; I114-A143 HydrophobicContact CB-CB 4.17Å; I114-A143 HydrophobicContact CG2-CB 4.07Å; I114-A143 WeakPolarHBondContact O-CA 3.21Å; I114-A143 VanDerWaalsContact O-CB 3.31Å; I114-A143 WeakPolarHBondContact O-CB 3.19Å; I114-A144 PolarHBondContact O-N 2.81Å
115	M	98.6	Very high	93.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	171.7	-177.9	-178.4	-179.3	0	0	109.9	Y81 I82 L83 V117 A144 L146 V159 R162 I163	Y81-M115 PolarHBondContact O-N 3.42Å; I82-M115 CarbonylContact C-O 3.55Å; I82-M115 WeakPolarHBondContact CA-O 3.42Å; L83-M115 PolarHBondContact N-O 2.89Å; M115-V117 HydrophobicContact CE-CG2 3.91Å; M115-V117 HydrophobicContact CG-CG2 4.11Å; M115-V117 HydrophobicContact SD-CG2 4.2Å; M115-A144 CarbonylContact C-O 3.59Å; M115-A144 WeakPolarHBondContact CA-O 3.36Å; M115-A144 HydrophobicContact CB-CB 4.22Å; M115-A144 HydrophobicContact CG-CB 4Å; M115-L146 HydrophobicContact CE-CB 3.49Å; M115-L146 VanDerWaalsContact CE-CB 3.49Å; M115-L146 HydrophobicContact CE-CD1 3.47Å; M115-L146 VanDerWaalsContact CE-CD1 3.47Å; M115-L146 HydrophobicContact CE-CG 3.4Å; M115-L146 VanDerWaalsContact CE-CG 3.4Å; M115-V159 HydrophobicContact CE-CB 4.41Å; M115-V159 HydrophobicContact CE-CG1 4.35Å; M115-V159 HydrophobicContact CE-CG2 4.2Å; M115-V159 HydrophobicContact SD-CG1 4.19Å; M115-R162 HydrophobicContact CE-CB 4.06Å; M115-R162 HydrophobicContact CE-CG 4.01Å; M115-R162 HydrophobicContact SD-CB 4.02Å; M115-R162 HydrophobicContact SD-CG 4.02Å; M115-I163 HydrophobicContact CB-CD1 3.88Å; M115-I163 HydrophobicContact SD-CB 4.42Å
116	L	98.9	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.6	170.3	-178.2	62.6	0	0	0	109.7	L83 Y85 I96 G134 L137 A138 W141 A144 F145 L146	L83-L116 HydrophobicContact CB-CD1 4.2Å; L83-L116 CarbonylContact O-C 3.59Å; L83-L116 WeakPolarHBondContact O-CA 3.27Å; L83-L116 WeakPolarHBondContact O-CD1 3.28Å; Y85-L116 HydrophobicContact CD1-CD1 3.69Å; Y85-L116 HydrophobicContact CD1-CG 4.16Å; Y85-L116 HydrophobicContact CE1-CD1 4.06Å; Y85-L116 HydrophobicContact CE1-CD2 4.24Å; Y85-L116 HydrophobicContact CE1-CG 4.01Å; I96-L116 HydrophobicContact CG1-CD1 4.03Å; I96-L116 HydrophobicContact CG2-CD1 4.36Å; L116-G134 WeakPolarHBondContact CD2-O 3.2Å; L116-L137 HydrophobicContact CD2-CB 4.04Å; L116-L137 HydrophobicContact CD2-CD2 3.88Å; L116-L137 HydrophobicContact CD2-CG 4.03Å; L116-A138 HydrophobicContact CB-CB 4.02Å; L116-A138 HydrophobicContact CD2-CB 4.08Å; L116-W141 HydrophobicContact CB-CZ3 4.4Å; L116-W141 HydrophobicContact CD1-CH2 4.44Å; L116-W141 HydrophobicContact CD1-CZ3 3.95Å; L116-W141 HydrophobicContact CD2-CZ3 4.19Å; L116-W141 HydrophobicContact CG-CZ3 4.41Å; L116-A144 PolarHBondContact N-O 3.09Å; L116-F145 HydrophobicContact CB-CD2 4.21Å; L116-F145 HydrophobicContact CD2-CD2 4.29Å; L116-F145 HydrophobicContact CD2-CE2 4.48Å; L116-F145 HydrophobicContact CG-CD2 4.17Å; L116-F145 HydrophobicContact CG-CE2 4.44Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; L116-F145 WeakPolarHBondContact O-CD2 3.14Å; L116-L146 PolarHBondContact O-N 3.2Å
117	V	98.9	Very high	94.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.4	-180	-179.7	0	0	0	0	110.5	L22 I82 L83 V84 Y85 M115 N119 L146 V159	L22-V117 HydrophobicContact CD1-CG1 4.19Å; I82-V117 HydrophobicContact CG2-CB 4.34Å; I82-V117 HydrophobicContact CG2-CG2 3.63Å; L83-V117 PolarHBondContact O-N 3.16Å; V84-V117 WeakPolarHBondContact CA-O 3.46Å; V84-V117 HydrophobicContact CG2-CB 4.46Å; Y85-V117 WeakPolarHBondContact CD1-O 3.34Å; Y85-V117 PolarHBondContact N-O 3.44Å; M115-V117 HydrophobicContact CE-CG2 3.91Å; M115-V117 HydrophobicContact CG-CG2 4.11Å; M115-V117 HydrophobicContact SD-CG2 4.2Å; V117-N119 PolarHBondContact O-N 2.98Å; V117-L146 VanDerWaalsContact CA-O 3.3Å; V117-L146 WeakPolarHBondContact CA-O 3.4Å; V117-V159 HydrophobicContact CG1-CG2 3.99Å; V117-V159 HydrophobicContact CG2-CG1 3.78Å; V117-V159 HydrophobicContact CG2-CG2 4Å
118	G	98.9	Very high	94.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	97.2	167.7	0	0	0	0	0	110.6	Y85 L146 E147 S148	Y85-G118 VanDerWaalsContact CZ-CA 3.44Å; G118-L146 PolarHBondContact N-O 3.34Å; G118-E147 CarbonylContact O-C 3.42Å; G118-E147 WeakPolarHBondContact O-CA 3.46Å; G118-E147 WeakPolarHBondContact O-CB 3.32Å; G118-S148 PolarHBondContact O-N 3.16Å
119	N	98.7	Very high	95.4	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.011	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	164.4	-177.6	-167.1	33.7	0	0	0	112.8	V17 L22 V84 Y85 S86 V87 V117 S148 A150	V17-N119 PolarHBondContact O-ND2 3.4Å; L22-N119 HydrophobicContact CD1-CB 4.17Å; V84-N119 HydrophobicContact CG1-CB 3.82Å; Y85-N119 PolarHBondContact O-N 2.87Å; S86-N119 WeakPolarHBondContact CA-O 3.42Å; V87-N119 PolarHBondContact N-O 2.82Å; V117-N119 PolarHBondContact O-N 2.98Å; N119-S148 CarbonylContact C-O 3.54Å; N119-S148 WeakPolarHBondContact CA-O 3.4Å; N119-S148 PolarHBondContact OD1-O 2.93Å; N119-A150 PolarHBondContact OD1-N 2.82Å
120	K	97.7	Very high	96.3	Very high	58 Å²	58	54.3 Å²	54.3	25%	0.252	27%	0.271	S	S	.	.			trans	67.3	34.4	-176.6	-45	-167.7	-167.5	177.3	0	113.4	S16 S86 V87 D122 L123 S148	S16-K120 VanDerWaalsContact O-CE 3.26Å; S16-K120 WeakPolarHBondContact O-CE 3.15Å; S16-K120 PolarHBondContact O-NZ 3.29Å; S86-K120 VanDerWaalsContact OG-CD 3.3Å; S86-K120 WeakPolarHBondContact OG-CD 3.41Å; V87-K120 WeakPolarHBondContact CG2-O 3.46Å; K120-D122 WeakPolarHBondContact CA-OD1 3.49Å; K120-D122 PolarHBondContact O-N 2.8Å; K120-D122 VanDerWaalsContact O-N 3.12Å; K120-L123 HydrophobicContact CB-CD1 3.95Å; K120-L123 HydrophobicContact CB-CG 4.24Å; K120-L123 HydrophobicContact CD-CD1 3.93Å; K120-L123 PolarHBondContact O-N 3.24Å; K120-L123 VanDerWaalsContact O-N 3.1Å; K120-S148 PolarHBondContact N-O 2.8Å
121	K	98.2	Very high	97.2	Very high	50 Å²	50	54.3 Å²	54.3	22%	0.217	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22	179.2	76.5	175.7	-173.7	170.7	0	113.6	L123 H124 E147 S148 E152 T155	K121-L123 PolarHBondContact O-N 3.29Å; K121-H124 PolarHBondContact O-CE1 2.91Å; K121-H124 VanDerWaalsContact O-CE1 3.26Å; K121-H124 PolarHBondContact O-ND1 3.24Å; K121-E147 HydrophobicContact CB-CB 4.14Å; K121-E147 HydrophobicContact CD-CB 4.11Å; K121-S148 WeakPolarHBondContact CG-O 3.38Å; K121-S148 PolarHBondContact N-O 2.83Å; K121-S148 VanDerWaalsContact N-O 3.08Å; K121-E152 WeakPolarHBondContact CE-OE2 3.37Å; K121-E152 IonicContact NZ-OE2 3.3Å; K121-E152 PolarHBondContact NZ-OE2 3.49Å; K121-E152 VanDerWaalsContact NZ-OE2 3.13Å; K121-T155 VanDerWaalsContact NZ-CG2 3.28Å
122	D	96.8	Very high	97.8	Very high	37 Å²	37	52.4 Å²	52.4	20%	0.198	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23	177.2	58.9	-69.6	0	0	0	113	K120 H124 S149 K151	K120-D122 WeakPolarHBondContact CA-OD1 3.49Å; K120-D122 PolarHBondContact O-N 2.8Å; K120-D122 VanDerWaalsContact O-N 3.12Å; D122-H124 PolarHBondContact O-CD2 3.38Å; D122-H124 VanDerWaalsContact O-CD2 3.24Å; D122-H124 PolarHBondContact O-N 3.45Å; D122-S149 WeakPolarHBondContact OD1-CB 3.18Å; D122-S149 PolarHBondContact OD1-OG 3.23Å; D122-K151 WeakPolarHBondContact OD2-CD 3.5Å; D122-K151 IonicContact OD2-NZ 2.73Å; D122-K151 PolarHBondContact OD2-NZ 3.19Å
123	L	96.4	Very high	98.1	Very high	38 Å²	38	55.3 Å²	55.3	20%	0.199	27%	0.265	C	S	.	.			trans	-83.7	58.2	179.9	-56.9	-177.7	0	0	0	111.1	T88 K120 K121 M125 E126 R127	T88-L123 HydrophobicContact CG2-CB 3.67Å; T88-L123 HydrophobicContact CG2-CD1 3.98Å; T88-L123 HydrophobicContact CG2-CG 4.45Å; K120-L123 HydrophobicContact CB-CD1 3.95Å; K120-L123 HydrophobicContact CB-CG 4.24Å; K120-L123 HydrophobicContact CD-CD1 3.93Å; K120-L123 PolarHBondContact O-N 3.24Å; K120-L123 VanDerWaalsContact O-N 3.1Å; K121-L123 PolarHBondContact O-N 3.29Å; L123-M125 VanDerWaalsContact C-N 3.27Å; L123-M125 PolarHBondContact O-N 2.9Å; L123-E126 HydrophobicContact CB-CB 4.16Å; L123-E126 PolarHBondContact O-N 3.44Å; L123-R127 PolarHBondContact O-N 3.35Å; L123-R127 VanDerWaalsContact O-N 3.16Å
124	H	95.5	Very high	98.2	Very high	137 Å²	137	54.8 Å²	54.8	63%	0.634	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-53.8	-40.1	-172.8	-61.5	-69.9	0	0	0	113.9	K121 D122 E126 R127	K121-H124 PolarHBondContact O-CE1 2.91Å; K121-H124 VanDerWaalsContact O-CE1 3.26Å; K121-H124 PolarHBondContact O-ND1 3.24Å; D122-H124 PolarHBondContact O-CD2 3.38Å; D122-H124 VanDerWaalsContact O-CD2 3.24Å; D122-H124 PolarHBondContact O-N 3.45Å; H124-E126 VanDerWaalsContact C-N 3.28Å; H124-E126 PolarHBondContact O-N 3.35Å; H124-R127 WeakPolarHBondContact O-CB 3.4Å; H124-R127 PolarHBondContact O-N 3.07Å
125	M	97.9	Very high	98.3	Very high	188 Å²	188	57.9 Å²	57.9	93%	0.926	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-74.6	-18.6	-178.7	-61.5	-57.6	-65.1	0	0	113.4	L123	L123-M125 VanDerWaalsContact C-N 3.27Å; L123-M125 PolarHBondContact O-N 2.9Å
126	E	98.4	Very high	98.3	Very high	113 Å²	113	60.4 Å²	60.4	53%	0.528	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.3	-1.4	179.2	-62.5	174.1	-125.5	0	0	112	T88 L123 H124 V128	T88-E126 WeakPolarHBondContact CA-O 3.45Å; T88-E126 WeakPolarHBondContact CB-O 3.35Å; T88-E126 HydrophobicContact CG2-CB 3.62Å; T88-E126 WeakPolarHBondContact CG2-O 3.43Å; L123-E126 HydrophobicContact CB-CB 4.16Å; L123-E126 PolarHBondContact O-N 3.44Å; H124-E126 VanDerWaalsContact C-N 3.28Å; H124-E126 PolarHBondContact O-N 3.35Å; E126-V128 PolarHBondContact O-N 2.84Å
127	R	98.7	Very high	98.3	Very high	72 Å²	72	61.4 Å²	61.4	27%	0.272	30%	0.3	S	S	.	.			trans	-62.7	127.4	-179.4	178.2	-177.3	-74.1	-97.8	7.7	110	V87 L123 H124 I129 E147	V87-R127 HydrophobicContact CB-CG 4.4Å; V87-R127 HydrophobicContact CG2-CG 4.47Å; L123-R127 PolarHBondContact O-N 3.35Å; L123-R127 VanDerWaalsContact O-N 3.16Å; H124-R127 WeakPolarHBondContact O-CB 3.4Å; H124-R127 PolarHBondContact O-N 3.07Å; R127-I129 WeakPolarHBondContact CD-O 3.34Å; R127-I129 WeakPolarHBondContact CG-O 3.48Å; R127-I129 PolarHBondContact NH1-O 3.15Å; R127-E147 IonicContact CZ-OE1 3.56Å; R127-E147 IonicContact CZ-OE2 3.55Å; R127-E147 IonicContact NH1-OE1 3.37Å; R127-E147 PolarHBondContact NH1-OE1 2.83Å; R127-E147 IonicContact NH1-OE2 3.26Å; R127-E147 IonicContact NH2-OE1 2.7Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 3.13Å; R127-E147 PolarHBondContact NH2-OE2 2.67Å
128	V	98.8	Very high	98.3	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.448	30%	0.3	S	S	.	.			trans	-123.1	-10.9	174.8	-63.1	0	0	0	0	112.7	V87 T88 I90 E126	V87-V128 PolarHBondContact O-N 3.15Å; T88-V128 VanDerWaalsContact C-CG2 3.45Å; I90-V128 HydrophobicContact CD1-CB 4.38Å; I90-V128 HydrophobicContact CD1-CG2 4.44Å; I90-V128 HydrophobicContact CG1-CB 4.04Å; I90-V128 HydrophobicContact CG1-CG2 3.63Å; E126-V128 PolarHBondContact O-N 2.84Å
129	I	98.8	Very high	98.3	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-115.5	124.5	172.3	-54.2	-60	0	0	0	109	Y85 V87 I90 F93 R127 E133	Y85-I129 HydrophobicContact CE2-CB 4.06Å; Y85-I129 HydrophobicContact CE2-CG1 4.39Å; Y85-I129 HydrophobicContact CE2-CG2 3.75Å; V87-I129 PolarHBondContact O-N 3.13Å; I90-I129 HydrophobicContact CG1-CD1 4.11Å; F93-I129 HydrophobicContact CB-CD1 4.01Å; F93-I129 HydrophobicContact CB-CG1 4Å; F93-I129 HydrophobicContact CD1-CD1 3.88Å; F93-I129 HydrophobicContact CD1-CG1 4.47Å; F93-I129 HydrophobicContact CD1-CG2 4.38Å; F93-I129 HydrophobicContact CD2-CG2 4.1Å; F93-I129 HydrophobicContact CE1-CG2 4.41Å; F93-I129 HydrophobicContact CE2-CG2 4.14Å; F93-I129 HydrophobicContact CG-CD1 4.04Å; F93-I129 HydrophobicContact CG-CG1 4.17Å; F93-I129 HydrophobicContact CG-CG2 4.21Å; F93-I129 HydrophobicContact CZ-CG2 4.29Å; R127-I129 WeakPolarHBondContact CD-O 3.34Å; R127-I129 WeakPolarHBondContact CG-O 3.48Å; R127-I129 PolarHBondContact NH1-O 3.15Å; I129-E133 HydrophobicContact CG2-CB 4Å
130	S	98.7	Very high	98.3	Very high	36 Å²	36	71.2 Å²	71.2	25%	0.252	36%	0.355	S	S	.	.			trans	-71.4	161.7	177.1	64.1	0	0	0	0	112.4	E132 E133 G134	S130-E132 VanDerWaalsContact C-N 3.25Å; S130-E132 PolarHBondContact O-N 3.39Å; S130-E133 WeakPolarHBondContact CB-OE2 3.46Å; S130-E133 PolarHBondContact N-OE2 2.87Å; S130-E133 WeakPolarHBondContact OG-CB 3.41Å; S130-E133 WeakPolarHBondContact OG-CG 3.4Å; S130-E133 PolarHBondContact OG-N 3.5Å; S130-E133 VanDerWaalsContact OG-N 3.15Å; S130-E133 PolarHBondContact OG-OE2 2.55Å; S130-G134 PolarHBondContact O-N 3.24Å
131	Y	98.8	Very high	98.2	Very high	95 Å²	95	70.7 Å²	70.7	37%	0.373	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-39.4	173.6	177	-89.9	0	0	0	110.6	G134 K135 F145 E147	Y131-G134 PolarHBondContact O-N 3.1Å; Y131-K135 HydrophobicContact CE1-CB 4.31Å; Y131-K135 HydrophobicContact CE1-CD 3.77Å; Y131-K135 WeakPolarHBondContact O-CB 3.41Å; Y131-K135 PolarHBondContact O-N 2.54Å; Y131-F145 AromaticContact CD2-CE1 3.84Å; Y131-F145 HydrophobicContact CD2-CE1 3.84Å; Y131-F145 HydrophobicContact CD2-CZ 4.45Å; Y131-F145 HydrophobicContact CE1-CE1 4.36Å; Y131-F145 HydrophobicContact CE2-CD1 4.23Å; Y131-F145 AromaticContact CE2-CE1 3.56Å; Y131-F145 HydrophobicContact CE2-CE1 3.56Å; Y131-F145 HydrophobicContact CE2-CZ 4.49Å; Y131-F145 HydrophobicContact CG-CE1 4.34Å; Y131-F145 AromaticContact CZ-CE1 3.83Å; Y131-E147 HydrophobicContact CD2-CG 3.84Å; Y131-E147 HydrophobicContact CE2-CG 4.27Å
132	E	98.8	Very high	98.1	Very high	129 Å²	129	75.8 Å²	75.8	60%	0.603	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-41.7	-178.8	-66.7	67.6	-149.3	0	0	111.7	S130 K135 A136	S130-E132 VanDerWaalsContact C-N 3.25Å; S130-E132 PolarHBondContact O-N 3.39Å; E132-K135 PolarHBondContact O-N 3.34Å; E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 3.48Å
133	E	98.8	Very high	98.1	Very high	91 Å²	91	74.9 Å²	74.9	43%	0.425	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-45.1	175.5	-76.8	167.5	109.4	0	0	112	F93 I129 S130 L137	F93-E133 HydrophobicContact CE1-CB 4.49Å; F93-E133 HydrophobicContact CZ-CB 4.24Å; I129-E133 HydrophobicContact CG2-CB 4Å; S130-E133 WeakPolarHBondContact CB-OE2 3.46Å; S130-E133 PolarHBondContact N-OE2 2.87Å; S130-E133 WeakPolarHBondContact OG-CB 3.41Å; S130-E133 WeakPolarHBondContact OG-CG 3.4Å; S130-E133 PolarHBondContact OG-N 3.5Å; S130-E133 VanDerWaalsContact OG-N 3.15Å; S130-E133 PolarHBondContact OG-OE2 2.55Å; E133-L137 WeakPolarHBondContact O-CB 3.37Å; E133-L137 PolarHBondContact O-N 2.88Å
134	G	98.9	Very high	98.2	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-46.3	176.3	0	0	0	0	0	112.2	Y85 L116 S130 Y131 L137 A138 F145	Y85-G134 WeakPolarHBondContact OH-CA 3.35Å; L116-G134 WeakPolarHBondContact CD2-O 3.2Å; S130-G134 PolarHBondContact O-N 3.24Å; Y131-G134 PolarHBondContact O-N 3.1Å; G134-L137 PolarHBondContact O-N 3.31Å; G134-A138 PolarHBondContact O-N 3.41Å; G134-A138 VanDerWaalsContact O-N 3.08Å; G134-F145 VanDerWaalsContact C-CE2 3.49Å
135	K	98.9	Very high	98.4	Very high	89 Å²	89	68 Å²	68	39%	0.387	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-47.5	178.5	-175.8	175.6	170.9	-173.6	0	111.9	Y131 E132 L137 A138 E139 F145	Y131-K135 HydrophobicContact CE1-CB 4.31Å; Y131-K135 HydrophobicContact CE1-CD 3.77Å; Y131-K135 WeakPolarHBondContact O-CB 3.41Å; Y131-K135 PolarHBondContact O-N 2.54Å; E132-K135 PolarHBondContact O-N 3.34Å; K135-L137 VanDerWaalsContact C-N 3.28Å; K135-L137 PolarHBondContact O-N 2.94Å; K135-A138 PolarHBondContact O-N 3.22Å; K135-E139 WeakPolarHBondContact CE-OE1 3.18Å; K135-E139 HydrophobicContact CG-CG 4.47Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 2.98Å; K135-F145 HydrophobicContact CB-CD1 3.66Å; K135-F145 HydrophobicContact CB-CE1 3.74Å; K135-F145 HydrophobicContact CB-CG 4.43Å; K135-F145 HydrophobicContact CG-CD1 4.11Å
136	A	98.9	Very high	98.4	Very high	53 Å²	53	61.2 Å²	61.2	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-38.1	178.9	0	0	0	0	0	111.7	E132 E139 S140	E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 3.48Å; A136-E139 PolarHBondContact O-N 3.34Å; A136-S140 PolarHBondContact O-N 3.11Å
137	L	98.9	Very high	98.4	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-47.8	174.9	-175.4	62.5	0	0	0	111.6	F93 I96 K97 L116 E133 G134 K135 E139 S140 W141	F93-L137 HydrophobicContact CD2-CD2 4.2Å; F93-L137 HydrophobicContact CE1-CD2 4.44Å; F93-L137 HydrophobicContact CE2-CB 4.31Å; F93-L137 HydrophobicContact CE2-CD2 3.46Å; F93-L137 VanDerWaalsContact CE2-CD2 3.46Å; F93-L137 HydrophobicContact CZ-CB 4.04Å; F93-L137 HydrophobicContact CZ-CD2 3.61Å; F93-L137 HydrophobicContact CZ-CG 4.42Å; I96-L137 HydrophobicContact CG2-CD2 4.38Å; K97-L137 HydrophobicContact CD-CD1 4.44Å; K97-L137 HydrophobicContact CG-CD1 4.14Å; K97-L137 HydrophobicContact CG-CD2 3.93Å; L116-L137 HydrophobicContact CD2-CB 4.04Å; L116-L137 HydrophobicContact CD2-CD2 3.88Å; L116-L137 HydrophobicContact CD2-CG 4.03Å; E133-L137 WeakPolarHBondContact O-CB 3.37Å; E133-L137 PolarHBondContact O-N 2.88Å; G134-L137 PolarHBondContact O-N 3.31Å; K135-L137 VanDerWaalsContact C-N 3.28Å; K135-L137 PolarHBondContact O-N 2.94Å; L137-E139 VanDerWaalsContact C-N 3.35Å; L137-E139 PolarHBondContact O-N 3.18Å; L137-S140 WeakPolarHBondContact O-CB 3.42Å; L137-S140 PolarHBondContact O-N 3.27Å; L137-S140 PolarHBondContact O-OG 2.94Å; L137-W141 HydrophobicContact CD1-CH2 4.42Å; L137-W141 HydrophobicContact CD1-CZ2 3.55Å; L137-W141 HydrophobicContact CD2-CH2 3.74Å; L137-W141 HydrophobicContact CD2-CZ2 3.68Å; L137-W141 HydrophobicContact CD2-CZ3 4.47Å; L137-W141 HydrophobicContact CG-CD2 4.32Å; L137-W141 HydrophobicContact CG-CH2 3.96Å; L137-W141 HydrophobicContact CG-CZ2 3.57Å; L137-W141 HydrophobicContact CG-CZ3 4.46Å; L137-W141 PolarHBondContact O-N 2.74Å
138	A	98.9	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-42	177.8	0	0	0	0	0	112.5	L116 G134 K135 S140 W141 N142 A143 F145	L116-A138 HydrophobicContact CB-CB 4.02Å; L116-A138 HydrophobicContact CD2-CB 4.08Å; G134-A138 PolarHBondContact O-N 3.41Å; G134-A138 VanDerWaalsContact O-N 3.08Å; K135-A138 PolarHBondContact O-N 3.22Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.28Å; A138-W141 CarbonylContact O-C 3.54Å; A138-W141 WeakPolarHBondContact O-CA 3.47Å; A138-W141 PolarHBondContact O-N 3.01Å; A138-N142 PolarHBondContact O-N 3.29Å; A138-N142 VanDerWaalsContact O-N 3.13Å; A138-A143 HydrophobicContact CB-CB 4.45Å; A138-A143 PolarHBondContact O-N 3.31Å; A138-F145 HydrophobicContact CB-CB 3.6Å; A138-F145 HydrophobicContact CB-CD2 4.16Å; A138-F145 HydrophobicContact CB-CG 4.15Å
139	E	98.6	Very high	98.4	Very high	122 Å²	122	50.2 Å²	50.2	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-41.2	175.4	-74	174.3	173	0	0	111.4	K135 A136 L137 W141 N142	K135-E139 WeakPolarHBondContact CE-OE1 3.18Å; K135-E139 HydrophobicContact CG-CG 4.47Å; K135-E139 WeakPolarHBondContact O-CG 3.3Å; K135-E139 PolarHBondContact O-N 2.98Å; A136-E139 PolarHBondContact O-N 3.34Å; L137-E139 VanDerWaalsContact C-N 3.35Å; L137-E139 PolarHBondContact O-N 3.18Å; E139-W141 PolarHBondContact O-N 3Å; E139-N142 PolarHBondContact O-N 2.93Å
140	S	98.3	Very high	98.2	Very high	86 Å²	86	50.2 Å²	50.2	60%	0.601	26%	0.263	S	S	*	.	H	α-helix	trans	-62.4	-22.9	175.1	81.5	0	0	0	0	113.6	A136 L137 A138	A136-S140 PolarHBondContact O-N 3.11Å; L137-S140 WeakPolarHBondContact O-CB 3.42Å; L137-S140 PolarHBondContact O-N 3.27Å; L137-S140 PolarHBondContact O-OG 2.94Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.28Å
141	W	96.9	Very high	98	Very high	47 Å²	47	53.4 Å²	53.4	18%	0.178	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.6	176.5	-59.8	-11.5	0	0	0	113	L83 I96 K97 H100 L116 L137 A138 E139 A143	L83-W141 HydrophobicContact CD1-CE3 4.41Å; L83-W141 HydrophobicContact CD1-CH2 4.43Å; L83-W141 HydrophobicContact CD1-CZ3 3.77Å; I96-W141 HydrophobicContact CG2-CH2 4.32Å; K97-W141 HydrophobicContact CB-CZ2 4.38Å; K97-W141 HydrophobicContact CG-CZ2 4.08Å; H100-W141 HydrophobicContact CB-CE3 4.41Å; H100-W141 HydrophobicContact CB-CH2 3.61Å; H100-W141 HydrophobicContact CB-CZ2 3.72Å; H100-W141 HydrophobicContact CB-CZ3 3.98Å; H100-W141 AromaticContact CD2-CD2 3.78Å; H100-W141 AromaticContact CD2-CE3 3.67Å; H100-W141 AromaticContact CE1-CD1 3.46Å; H100-W141 VanDerWaalsContact CE1-CD1 3.46Å; H100-W141 AromaticContact CE1-CD2 3.53Å; H100-W141 AromaticContact CE1-CE2 3.76Å; H100-W141 AromaticContact CE1-CG 3.34Å; H100-W141 AromaticContact CE1-NE1 3.72Å; H100-W141 AromaticContact CG-CD2 3.73Å; H100-W141 AromaticContact CG-CE2 3.68Å; H100-W141 AromaticContact CG-CE3 3.86Å; H100-W141 AromaticContact CG-CH2 3.9Å; H100-W141 AromaticContact CG-CZ2 3.77Å; H100-W141 AromaticContact CG-CZ3 3.94Å; H100-W141 AromaticContact ND1-CD1 3.78Å; H100-W141 AromaticContact ND1-CD2 3.6Å; H100-W141 AromaticContact ND1-CE2 3.38Å; H100-W141 AromaticContact ND1-CG 3.84Å; H100-W141 AromaticContact ND1-CZ2 3.82Å; H100-W141 AromaticContact ND1-NE1 3.52Å; H100-W141 AromaticContact NE2-CD2 3.67Å; H100-W141 AromaticContact NE2-CE3 3.92Å; H100-W141 AromaticContact NE2-CG 3.63Å; L116-W141 HydrophobicContact CB-CZ3 4.4Å; L116-W141 HydrophobicContact CD1-CH2 4.44Å; L116-W141 HydrophobicContact CD1-CZ3 3.95Å; L116-W141 HydrophobicContact CD2-CZ3 4.19Å; L116-W141 HydrophobicContact CG-CZ3 4.41Å; L137-W141 HydrophobicContact CD1-CH2 4.42Å; L137-W141 HydrophobicContact CD1-CZ2 3.55Å; L137-W141 HydrophobicContact CD2-CH2 3.74Å; L137-W141 HydrophobicContact CD2-CZ2 3.68Å; L137-W141 HydrophobicContact CD2-CZ3 4.47Å; L137-W141 HydrophobicContact CG-CD2 4.32Å; L137-W141 HydrophobicContact CG-CH2 3.96Å; L137-W141 HydrophobicContact CG-CZ2 3.57Å; L137-W141 HydrophobicContact CG-CZ3 4.46Å; L137-W141 PolarHBondContact O-N 2.74Å; A138-W141 CarbonylContact O-C 3.54Å; A138-W141 WeakPolarHBondContact O-CA 3.47Å; A138-W141 PolarHBondContact O-N 3.01Å; E139-W141 PolarHBondContact O-N 3Å; W141-A143 HydrophobicContact CB-CB 3.96Å; W141-A143 PolarHBondContact O-N 3.36Å
142	N	95.2	Very high	97.8	Very high	158 Å²	158	52.4 Å²	52.4	85%	0.845	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	38.6	-167.3	-170.8	45.6	0	0	0	112	A138 E139	A138-N142 PolarHBondContact O-N 3.29Å; A138-N142 VanDerWaalsContact O-N 3.13Å; E139-N142 PolarHBondContact O-N 2.93Å
143	A	97.7	Very high	97.4	Very high	18 Å²	18	49.3 Å²	49.3	15%	0.149	26%	0.258	C	S	.	.			trans	-105	155.8	-178	0	0	0	0	0	111.3	I114 A138 W141	I114-A143 HydrophobicContact CB-CB 4.17Å; I114-A143 HydrophobicContact CG2-CB 4.07Å; I114-A143 WeakPolarHBondContact O-CA 3.21Å; I114-A143 VanDerWaalsContact O-CB 3.31Å; I114-A143 WeakPolarHBondContact O-CB 3.19Å; A138-A143 HydrophobicContact CB-CB 4.45Å; A138-A143 PolarHBondContact O-N 3.31Å; W141-A143 HydrophobicContact CB-CB 3.96Å; W141-A143 PolarHBondContact O-N 3.36Å
144	A	98.3	Very high	97.2	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.4	168.5	0	0	0	0	0	110.9	I114 M115 L116 R162 E166	I114-A144 PolarHBondContact O-N 2.81Å; M115-A144 CarbonylContact C-O 3.59Å; M115-A144 WeakPolarHBondContact CA-O 3.36Å; M115-A144 HydrophobicContact CB-CB 4.22Å; M115-A144 HydrophobicContact CG-CB 4Å; L116-A144 PolarHBondContact N-O 3.09Å; A144-R162 HydrophobicContact CB-CG 4.36Å; A144-E166 HydrophobicContact CB-CG 3.87Å
145	F	98.8	Very high	97.1	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.088	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.6	178.7	-178.5	-116.3	0	0	0	111.8	Y85 L116 Y131 G134 K135 A138 E147	Y85-F145 HydrophobicContact CE1-CE2 4.27Å; L116-F145 HydrophobicContact CB-CD2 4.21Å; L116-F145 HydrophobicContact CD2-CD2 4.29Å; L116-F145 HydrophobicContact CD2-CE2 4.48Å; L116-F145 HydrophobicContact CG-CD2 4.17Å; L116-F145 HydrophobicContact CG-CE2 4.44Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; L116-F145 WeakPolarHBondContact O-CD2 3.14Å; Y131-F145 AromaticContact CD2-CE1 3.84Å; Y131-F145 HydrophobicContact CD2-CE1 3.84Å; Y131-F145 HydrophobicContact CD2-CZ 4.45Å; Y131-F145 HydrophobicContact CE1-CE1 4.36Å; Y131-F145 HydrophobicContact CE2-CD1 4.23Å; Y131-F145 AromaticContact CE2-CE1 3.56Å; Y131-F145 HydrophobicContact CE2-CE1 3.56Å; Y131-F145 HydrophobicContact CE2-CZ 4.49Å; Y131-F145 HydrophobicContact CG-CE1 4.34Å; Y131-F145 AromaticContact CZ-CE1 3.83Å; G134-F145 VanDerWaalsContact C-CE2 3.49Å; K135-F145 HydrophobicContact CB-CD1 3.66Å; K135-F145 HydrophobicContact CB-CE1 3.74Å; K135-F145 HydrophobicContact CB-CG 4.43Å; K135-F145 HydrophobicContact CG-CD1 4.11Å; A138-F145 HydrophobicContact CB-CB 3.6Å; A138-F145 HydrophobicContact CB-CD2 4.16Å; A138-F145 HydrophobicContact CB-CG 4.15Å; F145-E147 HydrophobicContact CE1-CG 4.29Å; F145-E147 HydrophobicContact CZ-CG 3.82Å
146	L	98.7	Very high	96.9	Very high	46 Å²	46	46.9 Å²	46.9	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156	162.2	-69.5	-179.8	0	0	0	110.1	M115 L116 V117 G118 D158 V159 R162	M115-L146 HydrophobicContact CE-CB 3.49Å; M115-L146 VanDerWaalsContact CE-CB 3.49Å; M115-L146 HydrophobicContact CE-CD1 3.47Å; M115-L146 VanDerWaalsContact CE-CD1 3.47Å; M115-L146 HydrophobicContact CE-CG 3.4Å; M115-L146 VanDerWaalsContact CE-CG 3.4Å; L116-L146 PolarHBondContact O-N 3.2Å; V117-L146 VanDerWaalsContact CA-O 3.3Å; V117-L146 WeakPolarHBondContact CA-O 3.4Å; G118-L146 PolarHBondContact N-O 3.34Å; L146-D158 HydrophobicContact CD1-CB 4.21Å; L146-V159 HydrophobicContact CD1-CG2 4.49Å; L146-R162 HydrophobicContact CD1-CB 4.15Å; L146-R162 HydrophobicContact CD1-CG 4.44Å
147	E	98.7	Very high	96.8	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.131	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.9	159.3	-69.8	-166.2	159.7	0	0	110.4	G118 K121 R127 Y131 F145	G118-E147 CarbonylContact O-C 3.42Å; G118-E147 WeakPolarHBondContact O-CA 3.46Å; G118-E147 WeakPolarHBondContact O-CB 3.32Å; K121-E147 HydrophobicContact CB-CB 4.14Å; K121-E147 HydrophobicContact CD-CB 4.11Å; R127-E147 IonicContact CZ-OE1 3.56Å; R127-E147 IonicContact CZ-OE2 3.55Å; R127-E147 IonicContact NH1-OE1 3.37Å; R127-E147 PolarHBondContact NH1-OE1 2.83Å; R127-E147 IonicContact NH1-OE2 3.26Å; R127-E147 IonicContact NH2-OE1 2.7Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 3.13Å; R127-E147 PolarHBondContact NH2-OE2 2.67Å; Y131-E147 HydrophobicContact CD2-CG 3.84Å; Y131-E147 HydrophobicContact CE2-CG 4.27Å; F145-E147 HydrophobicContact CE1-CG 4.29Å; F145-E147 HydrophobicContact CZ-CG 3.82Å
148	S	98.6	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.9	-176.1	-158.9	0	0	0	0	111.3	L22 G118 N119 K120 K121 T155 A156	L22-S148 VanDerWaalsContact CD2-OG 3.3Å; L22-S148 WeakPolarHBondContact CD2-OG 3.26Å; G118-S148 PolarHBondContact O-N 3.16Å; N119-S148 CarbonylContact C-O 3.54Å; N119-S148 WeakPolarHBondContact CA-O 3.4Å; N119-S148 PolarHBondContact OD1-O 2.93Å; K120-S148 PolarHBondContact N-O 2.8Å; K121-S148 WeakPolarHBondContact CG-O 3.38Å; K121-S148 PolarHBondContact N-O 2.83Å; K121-S148 VanDerWaalsContact N-O 3.08Å; S148-T155 VanDerWaalsContact OG-C 3.29Å; S148-T155 WeakPolarHBondContact OG-CB 3.06Å; S148-T155 PolarHBondContact OG-O 3.43Å; S148-T155 PolarHBondContact OG-OG1 3.02Å; S148-A156 PolarHBondContact OG-N 2.95Å
149	S	97.9	Very high	96.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	25%	0.249	C	C	.	.			trans	-125.5	126.6	158.6	176.6	0	0	0	0	108.8	D122 K151 E152 T155	D122-S149 WeakPolarHBondContact OD1-CB 3.18Å; D122-S149 PolarHBondContact OD1-OG 3.23Å; S149-K151 PolarHBondContact O-N 3.36Å; S149-K151 VanDerWaalsContact O-N 3.16Å; S149-K151 WeakPolarHBondContact OG-CB 3.43Å; S149-K151 PolarHBondContact OG-N 3.27Å; S149-K151 VanDerWaalsContact OG-N 3.11Å; S149-E152 CarbonylContact O-C 3.58Å; S149-E152 PolarHBondContact O-N 3.48Å; S149-E152 VanDerWaalsContact O-O 3.06Å; S149-T155 PolarHBondContact N-OG1 3.47Å; S149-T155 PolarHBondContact O-OG1 3.07Å
150	A	95.3	Very high	96.7	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	171.5	0	0	0	0	0	112.7	L22 Q25 F31 N119 E152	L22-A150 HydrophobicContact CD2-CB 4.13Å; L22-A150 HydrophobicContact CG-CB 4.32Å; Q25-A150 VanDerWaalsContact CG-O 3.25Å; Q25-A150 WeakPolarHBondContact CG-O 3.26Å; Q25-A150 PolarHBondContact NE2-O 3.4Å; F31-A150 HydrophobicContact CD2-CB 3.88Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 3.99Å; N119-A150 PolarHBondContact OD1-N 2.82Å; A150-E152 VanDerWaalsContact C-N 3.32Å
151	K	94.3	Very high	96.7	Very high	104 Å²	104	41.8 Å²	41.8	45%	0.452	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.5	171.9	-63.4	-175.6	-174.7	160.9	0	112.5	F31 D122 S149	F31-K151 HydrophobicContact CD1-CG 3.9Å; F31-K151 HydrophobicContact CD2-CG 4.14Å; F31-K151 HydrophobicContact CE1-CD 4.29Å; F31-K151 HydrophobicContact CE1-CG 3.71Å; F31-K151 HydrophobicContact CE2-CG 3.97Å; F31-K151 HydrophobicContact CG-CG 4.11Å; F31-K151 HydrophobicContact CZ-CD 4.47Å; F31-K151 HydrophobicContact CZ-CG 3.75Å; D122-K151 WeakPolarHBondContact OD2-CD 3.5Å; D122-K151 IonicContact OD2-NZ 2.73Å; D122-K151 PolarHBondContact OD2-NZ 3.19Å; S149-K151 PolarHBondContact O-N 3.36Å; S149-K151 VanDerWaalsContact O-N 3.16Å; S149-K151 WeakPolarHBondContact OG-CB 3.43Å; S149-K151 PolarHBondContact OG-N 3.27Å; S149-K151 VanDerWaalsContact OG-N 3.11Å
152	E	93.7	Very high	96.8	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	22%	0.215	S	C	.	.	S	Bend	trans	-100.2	98.3	179.6	-66.1	169.4	-139.4	0	0	110.4	K121 S149 A150 Q154 T155	K121-E152 WeakPolarHBondContact CE-OE2 3.37Å; K121-E152 IonicContact NZ-OE2 3.3Å; K121-E152 PolarHBondContact NZ-OE2 3.49Å; K121-E152 VanDerWaalsContact NZ-OE2 3.13Å; S149-E152 CarbonylContact O-C 3.58Å; S149-E152 PolarHBondContact O-N 3.48Å; S149-E152 VanDerWaalsContact O-O 3.06Å; A150-E152 VanDerWaalsContact C-N 3.32Å; E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 2.67Å; E152-Q154 VanDerWaalsContact O-N 3.14Å; E152-T155 HydrophobicContact CB-CG2 3.97Å; E152-T155 PolarHBondContact O-N 2.7Å; E152-T155 PolarHBondContact O-OG1 2.91Å; E152-T155 WeakPolarHBondContact OE2-CG2 3.3Å
153	N	92	Very high	96.9	Very high	65 Å²	65	36.3 Å²	36.3	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-49.2	-45	-175.1	-179.2	-95.2	0	0	0	113.9	Q25 T155 A156 V157	Q25-N153 HydrophobicContact CG-CB 4.41Å; Q25-N153 PolarHBondContact O-ND2 2.66Å; Q25-N153 VanDerWaalsContact O-ND2 3.17Å; Q25-N153 PolarHBondContact OE1-ND2 3.45Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 2.83Å; N153-A156 PolarHBondContact O-N 3.32Å; N153-V157 PolarHBondContact O-N 2.7Å
154	Q	93.9	Very high	96.9	Very high	114 Å²	114	35.5 Å²	35.5	53%	0.533	17%	0.168	S	C	.	.	H	α-helix	trans	-58.8	-38.3	-177.6	-173.4	58.9	51.4	0	0	112.4	E152 A156 V157 D158	E152-Q154 VanDerWaalsContact C-N 3.28Å; E152-Q154 PolarHBondContact O-N 2.67Å; E152-Q154 VanDerWaalsContact O-N 3.14Å; Q154-A156 PolarHBondContact O-N 2.86Å; Q154-V157 WeakPolarHBondContact O-CB 3.38Å; Q154-V157 PolarHBondContact O-N 3.13Å; Q154-D158 PolarHBondContact NE2-OD1 3.01Å; Q154-D158 PolarHBondContact O-N 2.79Å
155	T	95.9	Very high	96.9	Very high	14 Å²	14	38.2 Å²	38.2	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-35.5	-178	68.6	0	0	0	0	112	K121 S148 S149 E152 N153 D158 V159	K121-T155 VanDerWaalsContact NZ-CG2 3.28Å; S148-T155 VanDerWaalsContact OG-C 3.29Å; S148-T155 WeakPolarHBondContact OG-CB 3.06Å; S148-T155 PolarHBondContact OG-O 3.43Å; S148-T155 PolarHBondContact OG-OG1 3.02Å; S149-T155 PolarHBondContact N-OG1 3.47Å; S149-T155 PolarHBondContact O-OG1 3.07Å; E152-T155 HydrophobicContact CB-CG2 3.97Å; E152-T155 PolarHBondContact O-N 2.7Å; E152-T155 PolarHBondContact O-OG1 2.91Å; E152-T155 WeakPolarHBondContact OE2-CG2 3.3Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 2.83Å; T155-D158 PolarHBondContact O-N 3.37Å; T155-V159 WeakPolarHBondContact O-CG2 3.25Å; T155-V159 PolarHBondContact O-N 3.4Å; T155-V159 VanDerWaalsContact O-N 3.07Å
156	A	94.9	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-44.8	171.7	0	0	0	0	0	110.5	L22 Q25 F26 S148 N153 Q154 D158 V159 F160	L22-A156 HydrophobicContact CD2-CB 4.07Å; Q25-A156 HydrophobicContact CB-CB 4.2Å; Q25-A156 HydrophobicContact CG-CB 3.82Å; F26-A156 HydrophobicContact CB-CB 4.44Å; S148-A156 PolarHBondContact OG-N 2.95Å; N153-A156 PolarHBondContact O-N 3.32Å; Q154-A156 PolarHBondContact O-N 2.86Å; A156-D158 VanDerWaalsContact C-N 3.31Å; A156-D158 PolarHBondContact O-N 2.87Å; A156-V159 PolarHBondContact O-N 3.03Å; A156-F160 WeakPolarHBondContact O-CD2 3.37Å; A156-F160 PolarHBondContact O-N 2.8Å
157	V	97.1	Very high	96.6	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-42.8	174.6	173.4	0	0	0	0	111.7	F26 N153 Q154 V159 F160 R161	F26-V157 HydrophobicContact CD2-CB 4.45Å; F26-V157 HydrophobicContact CD2-CG2 4.05Å; F26-V157 HydrophobicContact CE2-CG2 4.5Å; N153-V157 PolarHBondContact O-N 2.7Å; Q154-V157 WeakPolarHBondContact O-CB 3.38Å; Q154-V157 PolarHBondContact O-N 3.13Å; V157-V159 VanDerWaalsContact C-N 3.34Å; V157-V159 PolarHBondContact O-N 3.48Å; V157-F160 PolarHBondContact O-N 3.35Å; V157-R161 HydrophobicContact CG1-CG 4.09Å; V157-R161 WeakPolarHBondContact O-CB 3.45Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.33Å; V157-R161 PolarHBondContact O-N 2.82Å
158	D	98.2	Very high	96.4	Very high	67 Å²	67	37.2 Å²	37.2	36%	0.358	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-38.1	179.8	-65.5	-22	0	0	0	112.2	L146 Q154 T155 A156 R162	L146-D158 HydrophobicContact CD1-CB 4.21Å; Q154-D158 PolarHBondContact NE2-OD1 3.01Å; Q154-D158 PolarHBondContact O-N 2.79Å; T155-D158 PolarHBondContact O-N 3.37Å; A156-D158 VanDerWaalsContact C-N 3.31Å; A156-D158 PolarHBondContact O-N 2.87Å; D158-R162 WeakPolarHBondContact O-CB 3.33Å; D158-R162 PolarHBondContact O-N 2.81Å
159	V	98.6	Very high	96.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-54.1	174.3	167.3	0	0	0	0	111.3	I82 M115 V117 L146 T155 A156 V157 R162 I163	I82-V159 HydrophobicContact CD1-CG1 3.86Å; I82-V159 HydrophobicContact CG2-CG1 4.24Å; M115-V159 HydrophobicContact CE-CB 4.41Å; M115-V159 HydrophobicContact CE-CG1 4.35Å; M115-V159 HydrophobicContact CE-CG2 4.2Å; M115-V159 HydrophobicContact SD-CG1 4.19Å; V117-V159 HydrophobicContact CG1-CG2 3.99Å; V117-V159 HydrophobicContact CG2-CG1 3.78Å; V117-V159 HydrophobicContact CG2-CG2 4Å; L146-V159 HydrophobicContact CD1-CG2 4.49Å; T155-V159 WeakPolarHBondContact O-CG2 3.25Å; T155-V159 PolarHBondContact O-N 3.4Å; T155-V159 VanDerWaalsContact O-N 3.07Å; A156-V159 PolarHBondContact O-N 3.03Å; V157-V159 VanDerWaalsContact C-N 3.34Å; V157-V159 PolarHBondContact O-N 3.48Å; V159-R162 PolarHBondContact O-N 3.17Å; V159-I163 PolarHBondContact O-N 2.91Å; V159-I163 VanDerWaalsContact O-N 3.12Å
160	F	98.2	Very high	95.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-71.8	-33.2	-176.8	-68.9	-79	0	0	0	112.5	I11 F26 L58 I82 A156 V157 R162 I163 I164	I11-F160 HydrophobicContact CD1-CE1 4.25Å; I11-F160 HydrophobicContact CG1-CE1 4.22Å; I11-F160 HydrophobicContact CG1-CZ 4.44Å; F26-F160 HydrophobicContact CB-CD2 3.34Å; F26-F160 HydrophobicContact CB-CE2 3.39Å; F26-F160 HydrophobicContact CB-CG 4.32Å; F26-F160 HydrophobicContact CB-CZ 4.39Å; F26-F160 HydrophobicContact CD1-CB 3.94Å; F26-F160 HydrophobicContact CD1-CD1 4.08Å; F26-F160 AromaticContact CD1-CD2 3.42Å; F26-F160 HydrophobicContact CD1-CD2 3.42Å; F26-F160 VanDerWaalsContact CD1-CD2 3.42Å; F26-F160 HydrophobicContact CD1-CE1 4.47Å; F26-F160 AromaticContact CD1-CE2 3.89Å; F26-F160 HydrophobicContact CD1-CE2 3.89Å; F26-F160 AromaticContact CD1-CG 3.53Å; F26-F160 HydrophobicContact CD1-CG 3.53Å; F26-F160 HydrophobicContact CD1-CZ 4.38Å; F26-F160 HydrophobicContact CD2-CB 3.98Å; F26-F160 AromaticContact CD2-CD2 3.73Å; F26-F160 HydrophobicContact CD2-CD2 3.73Å; F26-F160 HydrophobicContact CD2-CG 4.15Å; F26-F160 HydrophobicContact CE1-CB 3.71Å; F26-F160 HydrophobicContact CE1-CD1 4.24Å; F26-F160 HydrophobicContact CE1-CD2 4.11Å; F26-F160 AromaticContact CE1-CG 3.76Å; F26-F160 HydrophobicContact CE1-CG 3.76Å; F26-F160 HydrophobicContact CE2-CB 3.76Å; F26-F160 HydrophobicContact CE2-CD2 4.38Å; F26-F160 HydrophobicContact CE2-CG 4.35Å; F26-F160 HydrophobicContact CG-CB 4.06Å; F26-F160 AromaticContact CG-CD2 3.19Å; F26-F160 HydrophobicContact CG-CD2 3.19Å; F26-F160 AromaticContact CG-CE2 3.73Å; F26-F160 HydrophobicContact CG-CE2 3.73Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CZ-CB 3.61Å; F26-F160 HydrophobicContact CZ-CG 4.16Å; L58-F160 HydrophobicContact CD1-CD1 4.18Å; L58-F160 HydrophobicContact CD1-CE1 3.91Å; L58-F160 HydrophobicContact CD1-CZ 4.34Å; L58-F160 HydrophobicContact CD2-CD1 3.82Å; L58-F160 HydrophobicContact CD2-CE1 3.83Å; L58-F160 HydrophobicContact CG-CE1 4.4Å; I82-F160 HydrophobicContact CD1-CD1 3.71Å; I82-F160 HydrophobicContact CD1-CE1 3.56Å; I82-F160 HydrophobicContact CD1-CZ 4.28Å; A156-F160 WeakPolarHBondContact O-CD2 3.37Å; A156-F160 PolarHBondContact O-N 2.8Å; V157-F160 PolarHBondContact O-N 3.35Å; F160-R162 VanDerWaalsContact C-N 3.34Å; F160-I163 VanDerWaalsContact O-CG2 3.28Å; F160-I163 WeakPolarHBondContact O-CG2 3.49Å; F160-I164 VanDerWaalsContact O-CD1 3.25Å; F160-I164 WeakPolarHBondContact O-CD1 3.14Å; F160-I164 VanDerWaalsContact O-CG1 3.23Å; F160-I164 WeakPolarHBondContact O-CG1 3.1Å; F160-I164 PolarHBondContact O-N 3.42Å
161	R	98.2	Very high	95.4	Very high	77 Å²	77	50.3 Å²	50.3	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-40.3	170.9	-72.6	176.9	70.6	83.5	-0.8	111.4	I47 T48 V49 V157 I164 L165	I47-R161 HydrophobicContact CD1-CG 3.9Å; T48-R161 PolarHBondContact O-NH1 2.99Å; T48-R161 VanDerWaalsContact O-NH1 3.13Å; V49-R161 HydrophobicContact CG2-CG 4.28Å; V157-R161 HydrophobicContact CG1-CG 4.09Å; V157-R161 WeakPolarHBondContact O-CB 3.45Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.33Å; V157-R161 PolarHBondContact O-N 2.82Å; R161-I164 PolarHBondContact O-N 3.17Å; R161-L165 WeakPolarHBondContact O-CG 3.19Å; R161-L165 PolarHBondContact O-N 2.76Å; R161-L165 VanDerWaalsContact O-N 3.16Å
162	R	98.4	Very high	95	Very high	89 Å²	89	46.8 Å²	46.8	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-47.2	-178.6	-177.5	59.7	-177.5	-89.8	-0.6	111.9	M115 A144 L146 D158 V159 F160 I164 L165 E166	M115-R162 HydrophobicContact CE-CB 4.06Å; M115-R162 HydrophobicContact CE-CG 4.01Å; M115-R162 HydrophobicContact SD-CB 4.02Å; M115-R162 HydrophobicContact SD-CG 4.02Å; A144-R162 HydrophobicContact CB-CG 4.36Å; L146-R162 HydrophobicContact CD1-CB 4.15Å; L146-R162 HydrophobicContact CD1-CG 4.44Å; D158-R162 WeakPolarHBondContact O-CB 3.33Å; D158-R162 PolarHBondContact O-N 2.81Å; V159-R162 PolarHBondContact O-N 3.17Å; F160-R162 VanDerWaalsContact C-N 3.34Å; R162-I164 VanDerWaalsContact C-N 3.27Å; R162-I164 PolarHBondContact O-N 3Å; R162-L165 PolarHBondContact O-N 3.45Å; R162-L165 VanDerWaalsContact O-N 3.12Å; R162-E166 IonicContact CZ-OE1 2.55Å; R162-E166 VanDerWaalsContact CZ-OE1 3.26Å; R162-E166 IonicContact NE-OE1 2.7Å; R162-E166 PolarHBondContact NE-OE1 3.04Å; R162-E166 IonicContact NH2-OE1 3.49Å; R162-E166 PolarHBondContact NH2-OE1 2.92Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 2.99Å
163	I	98.3	Very high	94.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-34.2	179.4	-169.6	64.3	0	0	0	112.3	I9 I82 P113 M115 V159 F160 E166 A167	I9-I163 HydrophobicContact CD1-CG1 4.06Å; I9-I163 HydrophobicContact CD1-CG2 4.3Å; I9-I163 HydrophobicContact CG1-CG2 4.37Å; I9-I163 HydrophobicContact CG2-CG1 4.35Å; I9-I163 HydrophobicContact CG2-CG2 4.29Å; I82-I163 HydrophobicContact CD1-CG2 4.03Å; I82-I163 HydrophobicContact CG1-CB 4.28Å; I82-I163 HydrophobicContact CG1-CG1 4.25Å; I82-I163 HydrophobicContact CG1-CG2 4.31Å; P113-I163 HydrophobicContact CB-CD1 4.01Å; P113-I163 HydrophobicContact CG-CD1 4.27Å; M115-I163 HydrophobicContact CB-CD1 3.88Å; M115-I163 HydrophobicContact SD-CB 4.42Å; V159-I163 PolarHBondContact O-N 2.91Å; V159-I163 VanDerWaalsContact O-N 3.12Å; F160-I163 VanDerWaalsContact O-CG2 3.28Å; F160-I163 WeakPolarHBondContact O-CG2 3.49Å; I163-E166 PolarHBondContact O-N 2.96Å; I163-A167 PolarHBondContact O-N 3.14Å
164	I	97.9	Very high	93.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.4	173.8	-66.2	161.9	0	0	0	110.3	I47 V49 Y54 L56 F160 R161 R162 E166 A167 E168	I47-I164 HydrophobicContact CG2-CD1 3.82Å; V49-I164 HydrophobicContact CB-CG2 4.47Å; V49-I164 HydrophobicContact CG2-CD1 4.04Å; V49-I164 HydrophobicContact CG2-CG2 4.34Å; Y54-I164 HydrophobicContact CD1-CG2 4.09Å; Y54-I164 HydrophobicContact CD2-CG2 4.01Å; Y54-I164 HydrophobicContact CE1-CG2 3.85Å; Y54-I164 HydrophobicContact CE2-CG2 3.77Å; Y54-I164 HydrophobicContact CG-CG2 4.16Å; L56-I164 HydrophobicContact CD1-CD1 3.92Å; L56-I164 HydrophobicContact CD2-CD1 3.78Å; L56-I164 HydrophobicContact CD2-CG1 3.99Å; L56-I164 HydrophobicContact CG-CD1 4.39Å; F160-I164 VanDerWaalsContact O-CD1 3.25Å; F160-I164 WeakPolarHBondContact O-CD1 3.14Å; F160-I164 VanDerWaalsContact O-CG1 3.23Å; F160-I164 WeakPolarHBondContact O-CG1 3.1Å; F160-I164 PolarHBondContact O-N 3.42Å; R161-I164 PolarHBondContact O-N 3.17Å; R162-I164 VanDerWaalsContact C-N 3.27Å; R162-I164 PolarHBondContact O-N 3Å; I164-E166 VanDerWaalsContact C-N 3.33Å; I164-E166 PolarHBondContact O-N 3.42Å; I164-A167 WeakPolarHBondContact O-CB 3.45Å; I164-A167 PolarHBondContact O-N 2.98Å; I164-E168 WeakPolarHBondContact O-CG 3.32Å; I164-E168 PolarHBondContact O-N 3.39Å
165	L	97.4	Very high	92.1	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-63.6	-37.6	179.1	-67.9	174.5	0	0	0	112.5	V49 R161 R162 E168 K169	V49-L165 HydrophobicContact CG1-CD2 3.67Å; V49-L165 HydrophobicContact CG1-CG 4.07Å; R161-L165 WeakPolarHBondContact O-CG 3.19Å; R161-L165 PolarHBondContact O-N 2.76Å; R161-L165 VanDerWaalsContact O-N 3.16Å; R162-L165 PolarHBondContact O-N 3.45Å; R162-L165 VanDerWaalsContact O-N 3.12Å; L165-E168 PolarHBondContact O-N 3.16Å; L165-K169 WeakPolarHBondContact O-CB 3.43Å; L165-K169 PolarHBondContact O-N 2.9Å
166	E	97.2	Very high	90.5	Very high	33 Å²	33	49.8 Å²	49.8	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-38.6	174.3	-62	-58.6	156.8	0	0	111.7	P113 A144 R162 I163 I164 K169 M170	P113-E166 HydrophobicContact CB-CB 3.76Å; A144-E166 HydrophobicContact CB-CG 3.87Å; R162-E166 IonicContact CZ-OE1 2.55Å; R162-E166 VanDerWaalsContact CZ-OE1 3.26Å; R162-E166 IonicContact NE-OE1 2.7Å; R162-E166 PolarHBondContact NE-OE1 3.04Å; R162-E166 IonicContact NH2-OE1 3.49Å; R162-E166 PolarHBondContact NH2-OE1 2.92Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 2.99Å; I163-E166 PolarHBondContact O-N 2.96Å; I164-E166 VanDerWaalsContact C-N 3.33Å; I164-E166 PolarHBondContact O-N 3.42Å; E166-K169 PolarHBondContact O-N 3.5Å; E166-M170 WeakPolarHBondContact O-CG 3.47Å; E166-M170 PolarHBondContact O-N 3.25Å; E166-M170 VanDerWaalsContact O-N 3.1Å
167	A	95	Very high	88.6	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-46.2	173.5	0	0	0	0	0	112.3	P113 I163 I164 K169 M170 D171	P113-A167 HydrophobicContact CG-CB 3.9Å; I163-A167 PolarHBondContact O-N 3.14Å; I164-A167 WeakPolarHBondContact O-CB 3.45Å; I164-A167 PolarHBondContact O-N 2.98Å; A167-K169 VanDerWaalsContact C-N 3.33Å; A167-K169 PolarHBondContact O-N 3.16Å; A167-M170 PolarHBondContact O-N 2.86Å; A167-D171 PolarHBondContact O-N 3.31Å
168	E	93.9	Very high	86.5	Confident	38 Å²	38	58.6 Å²	58.6	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-38.8	176.8	-64.9	-49.2	115.1	0	0	112.7	K5 R7 Y54 I164 L165 M170 D171 G172	K5-E168 IonicContact NZ-OE2 3.51Å; K5-E168 PolarHBondContact NZ-OE2 2.96Å; R7-E168 IonicContact CZ-OE1 3.61Å; R7-E168 IonicContact NE-OE1 2.66Å; R7-E168 PolarHBondContact NE-OE1 3.4Å; R7-E168 IonicContact NH2-OE1 3.53Å; R7-E168 PolarHBondContact NH2-OE1 3.03Å; R7-E168 IonicContact NH2-OE2 2.72Å; Y54-E168 HydrophobicContact CE1-CG 4.27Å; Y54-E168 VanDerWaalsContact CE1-OE1 3.31Å; Y54-E168 WeakPolarHBondContact CE1-OE1 3.35Å; Y54-E168 WeakPolarHBondContact OH-CG 3.49Å; I164-E168 WeakPolarHBondContact O-CG 3.32Å; I164-E168 PolarHBondContact O-N 3.39Å; L165-E168 PolarHBondContact O-N 3.16Å; E168-M170 VanDerWaalsContact C-N 3.3Å; E168-M170 PolarHBondContact O-N 3.28Å; E168-D171 PolarHBondContact O-N 2.89Å; E168-G172 PolarHBondContact O-N 3.08Å
169	K	92.9	Very high	84.4	Confident	146 Å²	146	59.4 Å²	59.4	64%	0.635	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-41.7	177.2	-177.9	-175.3	173.8	-169.3	0	111	L165 E166 A167 A173	L165-K169 WeakPolarHBondContact O-CB 3.43Å; L165-K169 PolarHBondContact O-N 2.9Å; E166-K169 PolarHBondContact O-N 3.5Å; A167-K169 VanDerWaalsContact C-N 3.33Å; A167-K169 PolarHBondContact O-N 3.16Å; K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.1Å
170	M	90.3	Very high	82	Confident	52 Å²	52	64.3 Å²	64.3	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-71.6	-42.1	178.9	-69.4	-179.5	75.1	0	0	112.4	Q111 P113 E166 A167 E168 G172 A173 A174	Q111-M170 VanDerWaalsContact C-CE 3.46Å; Q111-M170 HydrophobicContact CB-CE 3.43Å; Q111-M170 VanDerWaalsContact CB-CE 3.43Å; P113-M170 VanDerWaalsContact CA-SD 3.52Å; P113-M170 HydrophobicContact CB-SD 3.63Å; P113-M170 VanDerWaalsContact CD-SD 3.56Å; P113-M170 HydrophobicContact CG-SD 4.16Å; P113-M170 VanDerWaalsContact N-SD 3.38Å; E166-M170 WeakPolarHBondContact O-CG 3.47Å; E166-M170 PolarHBondContact O-N 3.25Å; E166-M170 VanDerWaalsContact O-N 3.1Å; A167-M170 PolarHBondContact O-N 2.86Å; E168-M170 VanDerWaalsContact C-N 3.3Å; E168-M170 PolarHBondContact O-N 3.28Å; M170-G172 VanDerWaalsContact C-N 3.29Å; M170-G172 PolarHBondContact O-N 3.31Å; M170-A173 PolarHBondContact O-N 3.03Å; M170-A174 WeakPolarHBondContact O-CB 3.3Å; M170-A174 PolarHBondContact O-N 3.12Å
171	D	87.7	Confident	79.3	Confident	83 Å²	83	69.7 Å²	69.7	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-42.6	173.4	-77	-7.1	0	0	0	111.3	R7 A167 E168 A174 S175	R7-D171 IonicContact CZ-OD2 2.88Å; R7-D171 IonicContact NH2-OD2 3.89Å; R7-D171 PolarHBondContact NH2-OD2 2.92Å; A167-D171 PolarHBondContact O-N 3.31Å; E168-D171 PolarHBondContact O-N 2.89Å; D171-A174 PolarHBondContact O-N 2.96Å; D171-S175 PolarHBondContact O-N 3.13Å
172	G	85.5	Confident	76.6	Confident	29 Å²	29	69.9 Å²	69.9	30%	0.299	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-46.8	176.4	0	0	0	0	0	112.7	E168 M170 A174 S175 Q176	E168-G172 PolarHBondContact O-N 3.08Å; M170-G172 VanDerWaalsContact C-N 3.29Å; M170-G172 PolarHBondContact O-N 3.31Å; G172-A174 PolarHBondContact O-N 2.89Å; G172-S175 PolarHBondContact O-N 3.14Å; G172-S175 PolarHBondContact O-OG 2.58Å; G172-Q176 PolarHBondContact O-N 3.16Å; G172-Q176 VanDerWaalsContact O-N 3.11Å
173	A	78.7	Confident	73.7	Confident	61 Å²	61	72.5 Å²	72.5	50%	0.504	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-40.3	177.4	0	0	0	0	0	112.4	K169 M170 S175 Q176 G177	K169-A173 WeakPolarHBondContact O-CB 3.46Å; K169-A173 PolarHBondContact O-N 3.1Å; M170-A173 PolarHBondContact O-N 3.03Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.41Å; A173-Q176 PolarHBondContact O-N 3.43Å; A173-G177 PolarHBondContact O-N 2.99Å
174	A	71.7	Confident	70.8	Confident	58 Å²	58	84.9 Å²	84.9	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-64.3	-35.3	175.9	0	0	0	0	0	112.3	M170 D171 G172 K178	M170-A174 WeakPolarHBondContact O-CB 3.3Å; M170-A174 PolarHBondContact O-N 3.12Å; D171-A174 PolarHBondContact O-N 2.96Å; G172-A174 PolarHBondContact O-N 2.89Å; A174-K178 PolarHBondContact O-N 3.45Å
175	S	68.1	Low	69.4	Low	66 Å²	66	89.1 Å²	89.1	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-41.1	175.5	78.6	0	0	0	0	112.1	D171 G172 A173 K178 S179	D171-S175 PolarHBondContact O-N 3.13Å; G172-S175 PolarHBondContact O-N 3.14Å; G172-S175 PolarHBondContact O-OG 2.58Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.41Å; S175-K178 PolarHBondContact O-N 3.19Å; S175-S179 PolarHBondContact O-N 3.24Å; S175-S179 PolarHBondContact O-OG 3.11Å
176	Q	61.5	Low	68	Low	144 Å²	144	90.3 Å²	90.3	67%	0.673	53%	0.532	S	S	*	.	H	α-helix	trans	-68.9	-38.2	178.2	-69.1	-178.2	-1.5	0	0	112.4	G172 A173 K178 S179 S180	G172-Q176 PolarHBondContact O-N 3.16Å; G172-Q176 VanDerWaalsContact O-N 3.11Å; A173-Q176 PolarHBondContact O-N 3.43Å; Q176-K178 VanDerWaalsContact C-N 3.3Å; Q176-K178 PolarHBondContact O-N 2.96Å; Q176-S179 PolarHBondContact O-N 3.26Å; Q176-S180 PolarHBondContact O-N 3.36Å
177	G	55.6	Low	66.4	Low	43 Å²	43	93.5 Å²	93.5	44%	0.443	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-34.2	176.1	0	0	0	0	0	113.4	A173	A173-G177 PolarHBondContact O-N 2.99Å
178	K	54	Low	64.7	Low	171 Å²	171	98.8 Å²	98.8	74%	0.743	58%	0.584	S	S	*	*	H	α-helix	trans	-71.9	-36.6	175.9	-72.9	-178.4	-179.4	178.7	0	112.7	A174 S175 Q176 S180 C181	A174-K178 PolarHBondContact O-N 3.45Å; S175-K178 PolarHBondContact O-N 3.19Å; Q176-K178 VanDerWaalsContact C-N 3.3Å; Q176-K178 PolarHBondContact O-N 2.96Å; K178-S180 VanDerWaalsContact C-N 3.28Å; K178-S180 PolarHBondContact O-N 3.41Å; K178-C181 PolarHBondContact O-N 3.21Å
179	S	53.9	Low	62.8	Low	84 Å²	84	102.6 Å²	102.6	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-67.1	-28.1	178	-47.3	0	0	0	0	113	S175 Q176 S182	S175-S179 PolarHBondContact O-N 3.24Å; S175-S179 PolarHBondContact O-OG 3.11Å; Q176-S179 PolarHBondContact O-N 3.26Å; S179-S182 PolarHBondContact O-OG 3.3Å
180	S	48	Very low	60.8	Low	104 Å²	104	99.7 Å²	99.7	73%	0.727	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-16	179.3	-167.3	0	0	0	0	113.8	Q176 K178	Q176-S180 PolarHBondContact O-N 3.36Å; K178-S180 VanDerWaalsContact C-N 3.28Å; K178-S180 PolarHBondContact O-N 3.41Å
181	C	42.1	Very low	58.7	Low	115 Å²	115	103.1 Å²	103.1	78%	0.777	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	2.8	179.2	-78.2	0	0	0	0	113.9	K178	K178-C181 PolarHBondContact O-N 3.21Å
182	S	41.2	Very low	56.5	Low	80 Å²	80	104.7 Å²	104.7	56%	0.559	65%	0.648	S	S	*	*	S	Bend	trans	-83.8	125.5	165	44.8	0	0	0	0	109.4	S179	S179-S182 PolarHBondContact O-OG 3.3Å
183	V	36.3	Very low	54.1	Low	144 Å²	144	111 Å²	111	87%	0.873	68%	0.677	S	S	*	*			trans	92.2	80.7	175.7	-162.1	0	0	0	0	114.9
184	M	38.1	Very low	51.9	Low	262 Å²	262	115.5 Å²	115.5	100%	1.291	69%	0.692	S	S	*	*				-156.3	0	126.3	-141.3	171.3	-134.1	0	0	111.3

Retrieved 184 of 184 residues in 105.4 ms (Link to these results)

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