A0A3Q2QR22_FUNHE Loading...

Ras-related protein Rab-30

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB30 is required for maintaining the structural integrity of the Golgi apparatus, possibly by mediating interactions with cytoplasmic scaffolding proteins. Facilitates lipid homeostasis during fasting by regulating hepatic protein and lipid trafficking in a PPAR-alpha-dependent manner. Promotes autophagosome biogenesis during bacterial infection such as group A Streptococcus infection.

AlphaFold DB , UniProt , Accession A0A3Q2QR22, Species FUNHE (Fundulus heteroclitus, Killifish), Gene n/a, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	77.8	Confident	238 Å²	238	92 Å²	92	100%	1.172	47%	0.474	S	S	*	.				0	101.4	0	-78.1	156.5	63.3	0	0	106.5	M3	M1-M3 PolarHBondContact O-N 2.99Å
2	S	45.3	Very low	79.4	Confident	114 Å²	114	84.3 Å²	84.3	80%	0.797	44%	0.435	S	S	*	.			trans	-67.7	100.6	170.4	47	0	0	0	0	106.8	E4	S2-E4 PolarHBondContact O-N 3.21Å
3	M	51.7	Low	80.7	Confident	186 Å²	186	77.8 Å²	77.8	92%	0.916	40%	0.401	S	S	*	.			trans	-55.1	112	164.9	-107.1	167.8	167.5	0	0	105.8	M1 D5	M1-M3 PolarHBondContact O-N 2.99Å; M3-D5 PolarHBondContact O-N 2.82Å
4	E	66.6	Low	81.9	Confident	121 Å²	121	72.3 Å²	72.3	57%	0.565	37%	0.373	S	S	*	.			trans	-64.6	135.1	173.4	-58.4	-170.3	115.6	0	0	108.1	S2 Y6	S2-E4 PolarHBondContact O-N 3.21Å; E4-Y6 HydrophobicContact CB-CD1 3.7Å; E4-Y6 HydrophobicContact CB-CE1 3.32Å; E4-Y6 VanDerWaalsContact CD-OH 3.22Å; E4-Y6 HydrophobicContact CG-CE1 4.03Å; E4-Y6 PolarHBondContact O-N 2.73Å; E4-Y6 PolarHBondContact OE1-OH 2.78Å; E4-Y6 WeakPolarHBondContact OE2-CE1 2.99Å; E4-Y6 PolarHBondContact OE2-OH 3.4Å
5	D	84.9	Confident	82.8	Confident	127 Å²	127	67.5 Å²	67.5	68%	0.679	35%	0.348	S	S	*	.	S	Bend	trans	-81.4	42.3	-168.2	-156.2	6.4	0	0	0	112.1	M3 K57	M3-D5 PolarHBondContact O-N 2.82Å; D5-K57 VanDerWaalsContact O-CD 3.24Å; D5-K57 WeakPolarHBondContact O-CD 3.46Å; D5-K57 IonicContact OD1-NZ 2.78Å; D5-K57 PolarHBondContact OD1-NZ 3.29Å; D5-K57 IonicContact OD2-NZ 3.67Å
6	Y	90.6	Very high	83.6	Confident	42 Å²	42	63.3 Å²	63.3	17%	0.165	33%	0.326	C	S	.	.			trans	-151.8	149.5	-178.7	66.3	-94.9	0	0	0	112.2	E4 Y8 L9 K59	E4-Y6 HydrophobicContact CB-CD1 3.7Å; E4-Y6 HydrophobicContact CB-CE1 3.32Å; E4-Y6 VanDerWaalsContact CD-OH 3.22Å; E4-Y6 HydrophobicContact CG-CE1 4.03Å; E4-Y6 PolarHBondContact O-N 2.73Å; E4-Y6 PolarHBondContact OE1-OH 2.78Å; E4-Y6 WeakPolarHBondContact OE2-CE1 2.99Å; E4-Y6 PolarHBondContact OE2-OH 3.4Å; Y6-Y8 VanDerWaalsContact CD2-C 3.47Å; Y6-Y8 VanDerWaalsContact CD2-O 3.24Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.37Å; Y6-L9 HydrophobicContact CD2-CB 4.36Å; Y6-L9 HydrophobicContact CE2-CB 3.57Å; Y6-K59 HydrophobicContact CD1-CB 4.23Å; Y6-K59 HydrophobicContact CD1-CD 4.16Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.29Å; Y6-K59 HydrophobicContact CD2-CB 4.26Å; Y6-K59 HydrophobicContact CE1-CD 4.06Å; Y6-K59 HydrophobicContact CG-CB 3.97Å
7	D	93.1	Very high	84.2	Confident	93 Å²	93	61.5 Å²	61.5	50%	0.497	32%	0.318	S	S	.	.	S	Bend	trans	-89.1	-33	-179.9	-55.6	-63.6	0	0	0	112	E56 K57	D7-E56 HydrophobicContact CB-CB 4.44Å; D7-E56 WeakPolarHBondContact CB-OE2 3.5Å; D7-E56 WeakPolarHBondContact OD2-CA 3.47Å; D7-K57 PolarHBondContact N-O 3.4Å; D7-K57 PolarHBondContact OD2-N 2.99Å
8	Y	94.8	Very high	84.7	Confident	32 Å²	32	60.9 Å²	60.9	13%	0.125	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.6	179.3	-64.3	-83.4	0	0	0	112.3	Y6 F10 E56 K57 V58 K59 I171 A174 K175	Y6-Y8 VanDerWaalsContact CD2-C 3.47Å; Y6-Y8 VanDerWaalsContact CD2-O 3.24Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.37Å; Y8-F10 HydrophobicContact CD1-CE1 4.38Å; Y8-F10 HydrophobicContact CD1-CE2 4.37Å; Y8-F10 AromaticContact CD1-CZ 3.7Å; Y8-F10 HydrophobicContact CD1-CZ 3.7Å; Y8-F10 HydrophobicContact CG-CE2 4.14Å; Y8-F10 AromaticContact CG-CZ 3.94Å; Y8-F10 HydrophobicContact CG-CZ 3.94Å; Y8-E56 HydrophobicContact CD2-CB 4.27Å; Y8-E56 HydrophobicContact CE2-CB 4.19Å; Y8-E56 HydrophobicContact CE2-CG 4.21Å; Y8-K57 PolarHBondContact N-O 2.88Å; Y8-V58 HydrophobicContact CD2-CG2 4.43Å; Y8-K59 PolarHBondContact O-N 2.97Å; Y8-I171 HydrophobicContact CD2-CG1 4.11Å; Y8-I171 HydrophobicContact CE2-CG1 4.3Å; Y8-I171 HydrophobicContact CE2-CG2 4.03Å; Y8-I171 HydrophobicContact CG-CG1 4.37Å; Y8-A174 HydrophobicContact CD1-CB 4.27Å; Y8-A174 HydrophobicContact CE1-CB 3.87Å; Y8-K175 WeakPolarHBondContact OH-CE 3.36Å
9	L	95.4	Very high	85.2	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	167.3	-178.2	66.8	0	0	0	108.7	Y6 K59 Q61	Y6-L9 HydrophobicContact CD2-CB 4.36Å; Y6-L9 HydrophobicContact CE2-CB 3.57Å; L9-K59 WeakPolarHBondContact CA-O 3.46Å; L9-K59 HydrophobicContact CD1-CB 3.88Å; L9-K59 HydrophobicContact CD1-CD 3.75Å; L9-K59 HydrophobicContact CD1-CG 3.82Å; L9-Q61 HydrophobicContact CD1-CG 3.77Å
10	F	96.5	Very high	85.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.4	174.6	-62.7	-51	0	0	0	112.4	Y8 V58 K59 L60 Q61 N83 L170 I171 A174 L179	Y8-F10 HydrophobicContact CD1-CE1 4.38Å; Y8-F10 HydrophobicContact CD1-CE2 4.37Å; Y8-F10 AromaticContact CD1-CZ 3.7Å; Y8-F10 HydrophobicContact CD1-CZ 3.7Å; Y8-F10 HydrophobicContact CG-CE2 4.14Å; Y8-F10 AromaticContact CG-CZ 3.94Å; Y8-F10 HydrophobicContact CG-CZ 3.94Å; F10-V58 HydrophobicContact CD2-CG1 3.5Å; F10-V58 VanDerWaalsContact CD2-CG1 3.5Å; F10-V58 HydrophobicContact CE2-CG1 3.81Å; F10-K59 PolarHBondContact N-O 2.95Å; F10-L60 HydrophobicContact CB-CD2 4.02Å; F10-L60 HydrophobicContact CD2-CD2 4.25Å; F10-Q61 PolarHBondContact O-N 2.88Å; F10-N83 WeakPolarHBondContact CA-OD1 3.47Å; F10-N83 HydrophobicContact CB-CB 4.46Å; F10-N83 HydrophobicContact CD1-CB 4.17Å; F10-L170 HydrophobicContact CB-CD1 3.72Å; F10-L170 HydrophobicContact CD1-CB 3.88Å; F10-L170 HydrophobicContact CD1-CD1 4Å; F10-L170 HydrophobicContact CD1-CG 4.46Å; F10-L170 HydrophobicContact CD2-CB 3.8Å; F10-L170 HydrophobicContact CD2-CD1 3.99Å; F10-L170 HydrophobicContact CE1-CB 3.72Å; F10-L170 HydrophobicContact CE2-CB 3.64Å; F10-L170 HydrophobicContact CG-CB 3.93Å; F10-L170 HydrophobicContact CG-CD1 3.63Å; F10-L170 HydrophobicContact CG-CG 4.41Å; F10-L170 HydrophobicContact CZ-CB 3.6Å; F10-I171 HydrophobicContact CE2-CG1 3.82Å; F10-I171 HydrophobicContact CZ-CG1 4.21Å; F10-A174 HydrophobicContact CZ-CB 4.45Å; F10-L179 HydrophobicContact CE1-CD1 4.44Å
11	K	96	Very high	86.3	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	176.9	-63.6	176	168.9	170	0	110.4	Q61 W63 S81 N83 A84 A185 M187 E190	K11-Q61 WeakPolarHBondContact CA-O 3.39Å; K11-Q61 HydrophobicContact CG-CB 4.42Å; K11-W63 HydrophobicContact CB-CE3 4.44Å; K11-W63 HydrophobicContact CB-CH2 4.1Å; K11-W63 HydrophobicContact CB-CZ3 3.52Å; K11-W63 HydrophobicContact CD-CH2 4.11Å; K11-W63 HydrophobicContact CD-CZ3 4.37Å; K11-W63 HydrophobicContact CG-CH2 3.71Å; K11-W63 HydrophobicContact CG-CZ3 3.65Å; K11-S81 VanDerWaalsContact CD-O 3.23Å; K11-S81 WeakPolarHBondContact CD-O 3.44Å; K11-S81 PolarHBondContact NZ-OG 3.48Å; K11-N83 PolarHBondContact N-OD1 2.84Å; K11-N83 PolarHBondContact O-N 2.79Å; K11-A84 PolarHBondContact O-N 2.86Å; K11-A84 VanDerWaalsContact O-N 3.1Å; K11-A185 PolarHBondContact NZ-O 3.36Å; K11-M187 HydrophobicContact CD-CG 3.95Å; K11-E190 WeakPolarHBondContact CE-OE1 3.41Å; K11-E190 IonicContact NZ-OE1 3.84Å
12	I	97.1	Very high	88.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.8	-177.1	-58.6	175.8	0	0	0	108.8	L14 L60 Q61 I62 W63 A84 I86 F163 L166	I12-L14 HydrophobicContact CG2-CD1 4.47Å; I12-L60 HydrophobicContact CD1-CB 4.47Å; I12-L60 HydrophobicContact CD1-CD1 4.31Å; I12-L60 HydrophobicContact CD1-CD2 3.98Å; I12-L60 HydrophobicContact CD1-CG 4.49Å; I12-Q61 PolarHBondContact N-O 2.94Å; I12-I62 CarbonylContact O-C 3.45Å; I12-I62 WeakPolarHBondContact O-CA 3.5Å; I12-W63 PolarHBondContact O-N 2.62Å; I12-A84 WeakPolarHBondContact CA-O 3.44Å; I12-A84 HydrophobicContact CG1-CB 4.44Å; I12-I86 HydrophobicContact CG2-CD1 3.55Å; I12-I86 HydrophobicContact CG2-CG1 3.81Å; I12-F163 HydrophobicContact CD1-CD1 4.28Å; I12-L166 HydrophobicContact CD1-CD2 4.14Å; I12-L166 HydrophobicContact CG1-CD2 4.46Å; I12-L166 HydrophobicContact CG2-CD2 4.2Å
13	V	96.3	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.6	176.3	-171.8	0	0	0	0	109.5	I15 W63 T65 A82 A84 L85 I86 M187	V13-I15 HydrophobicContact CG1-CG2 4.04Å; V13-W63 HydrophobicContact CB-CB 4.47Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; V13-W63 HydrophobicContact CG2-CB 4.22Å; V13-W63 HydrophobicContact CG2-CE3 4.42Å; V13-T65 HydrophobicContact CG1-CG2 3.52Å; V13-A82 HydrophobicContact CG2-CB 3.83Å; V13-A84 PolarHBondContact N-O 2.94Å; V13-L85 HydrophobicContact CB-CD2 3.69Å; V13-L85 HydrophobicContact CG1-CD2 4.49Å; V13-L85 HydrophobicContact CG2-CD2 4.24Å; V13-L85 WeakPolarHBondContact O-CA 3.09Å; V13-I86 PolarHBondContact O-N 3.49Å; V13-M187 HydrophobicContact CG2-CE 3.76Å
14	L	96.8	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.5	172.7	-70.5	80.1	0	0	0	109.4	I12 K22 L25 V26 I62 W63 T65 I86 F163	I12-L14 HydrophobicContact CG2-CD1 4.47Å; L14-K22 HydrophobicContact CB-CB 4.14Å; L14-K22 HydrophobicContact CB-CD 4.14Å; L14-K22 HydrophobicContact CB-CG 4.35Å; L14-K22 HydrophobicContact CD2-CB 4.05Å; L14-L25 HydrophobicContact CD2-CB 4.28Å; L14-V26 HydrophobicContact CD1-CG2 3.49Å; L14-V26 VanDerWaalsContact CD1-CG2 3.49Å; L14-V26 HydrophobicContact CD2-CG2 3.47Å; L14-V26 VanDerWaalsContact CD2-CG2 3.47Å; L14-V26 HydrophobicContact CG-CG2 4.07Å; L14-I62 HydrophobicContact CD1-CG2 3.39Å; L14-W63 PolarHBondContact N-O 2.81Å; L14-T65 WeakPolarHBondContact O-CB 3.45Å; L14-T65 WeakPolarHBondContact O-CG2 3.41Å; L14-T65 PolarHBondContact O-OG1 3.45Å; L14-I86 WeakPolarHBondContact CA-O 3.17Å; L14-I86 HydrophobicContact CD1-CD1 4.31Å; L14-I86 HydrophobicContact CG-CB 4.06Å; L14-I86 HydrophobicContact CG-CD1 4.2Å; L14-I86 HydrophobicContact CG-CG2 4.39Å; L14-F163 HydrophobicContact CD1-CE1 4.49Å
15	I	95.7	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.7	180	61.4	172.9	0	0	0	111.2	V13 K22 T75 Y79 L85 I86 L87 T88 W103 I107	V13-I15 HydrophobicContact CG1-CG2 4.04Å; I15-K22 VanDerWaalsContact C-CD 3.42Å; I15-K22 WeakPolarHBondContact O-CD 3.24Å; I15-T75 HydrophobicContact CG2-CG2 4.11Å; I15-Y79 HydrophobicContact CG2-CE1 3.62Å; I15-L85 HydrophobicContact CD1-CD1 4.49Å; I15-I86 PolarHBondContact N-O 3.37Å; I15-L87 HydrophobicContact CD1-CB 4.45Å; I15-L87 HydrophobicContact CD1-CD1 4.04Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.85Å; I15-T88 PolarHBondContact O-N 3.06Å; I15-W103 HydrophobicContact CB-CE3 4.07Å; I15-W103 HydrophobicContact CB-CZ3 4.1Å; I15-W103 HydrophobicContact CD1-CE3 4.36Å; I15-I107 HydrophobicContact CD1-CD1 3.63Å; I15-I107 HydrophobicContact CD1-CG1 3.81Å
16	G	95.5	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	130.1	169.4	-174.7	0	0	0	0	0	112.4	K22 G67 W103	G16-K22 PolarHBondContact O-NZ 3.18Å; G16-G67 WeakPolarHBondContact O-CA 3.33Å; G16-W103 WeakPolarHBondContact O-CZ2 3.33Å
17	N	94.4	Very high	95.7	Very high	34 Å²	34	21.7 Å²	21.7	18%	0.182	13%	0.132	C	C	.	.	S	Bend	trans	-58.5	162.4	-173.4	-73.1	26	0	0	0	113.5	V20 K22 G67 C99 W103	N17-V20 HydrophobicContact CB-CG1 3.94Å; N17-V20 WeakPolarHBondContact O-CG1 3.43Å; N17-V20 WeakPolarHBondContact O-CG2 3.43Å; N17-K22 PolarHBondContact O-NZ 3.11Å; N17-K22 VanDerWaalsContact O-NZ 3.12Å; N17-G67 CarbonylContact C-O 3.46Å; N17-C99 PolarHBondContact ND2-SG 2.91Å; N17-C99 WeakPolarHBondContact OD1-CB 3.41Å; N17-W103 PolarHBondContact OD1-NE1 2.98Å
18	A	93	Very high	95.9	Very high	50 Å²	50	19.7 Å²	19.7	41%	0.413	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	141.6	172.1	0	0	0	0	0	110.4	V20 G67 Q68	A18-V20 VanDerWaalsContact C-N 3.3Å; A18-V20 PolarHBondContact O-N 3.33Å; A18-G67 PolarHBondContact N-O 3.08Å; A18-Q68 HydrophobicContact CB-CG 3.85Å
19	G	93.8	Very high	96	Very high	58 Å²	58	18.6 Å²	18.6	60%	0.598	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-4.6	176.1	0	0	0	0	0	116.2	G21 K123	G19-G21 PolarHBondContact O-N 3.46Å; G19-K123 WeakPolarHBondContact O-CE 3.45Å; G19-K123 PolarHBondContact O-NZ 2.84Å
20	V	96.8	Very high	96	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	11%	0.11	C	C	.	.	S	Bend	trans	-69.9	-16.2	177.3	-55.4	0	0	0	0	113.6	N17 A18 K22 T88 D90 N122	N17-V20 HydrophobicContact CB-CG1 3.94Å; N17-V20 WeakPolarHBondContact O-CG1 3.43Å; N17-V20 WeakPolarHBondContact O-CG2 3.43Å; A18-V20 VanDerWaalsContact C-N 3.3Å; A18-V20 PolarHBondContact O-N 3.33Å; V20-K22 HydrophobicContact CG2-CD 4.35Å; V20-K22 HydrophobicContact CG2-CG 3.72Å; V20-T88 HydrophobicContact CB-CG2 4.27Å; V20-T88 HydrophobicContact CG2-CG2 3.84Å; V20-D90 HydrophobicContact CB-CB 4.36Å; V20-D90 HydrophobicContact CG1-CB 4.28Å; V20-N122 PolarHBondContact O-ND2 2.66Å
21	G	96.6	Very high	95.9	Very high	14 Å²	14	21.4 Å²	21.4	14%	0.144	13%	0.127	C	C	.	.	S	Bend	trans	102.7	21.6	171.9	0	0	0	0	0	116.4	G19 T23 C24 L25	G19-G21 PolarHBondContact O-N 3.46Å; G21-T23 PolarHBondContact O-N 3.07Å; G21-C24 WeakPolarHBondContact O-CB 3.3Å; G21-C24 PolarHBondContact O-N 3.24Å; G21-C24 VanDerWaalsContact O-N 3.12Å; G21-L25 PolarHBondContact O-N 3.27Å
22	K	96.6	Very high	95.7	Very high	9 Å²	9	23 Å²	23	4%	0.039	15%	0.147	C	C	.	.	H	α-helix	trans	-51.1	-54.6	175.9	-56.8	-172	-58.8	-75.4	0	112.9	L14 I15 G16 N17 V20 C24 L25 V26 D64 T65 G67	L14-K22 HydrophobicContact CB-CB 4.14Å; L14-K22 HydrophobicContact CB-CD 4.14Å; L14-K22 HydrophobicContact CB-CG 4.35Å; L14-K22 HydrophobicContact CD2-CB 4.05Å; I15-K22 VanDerWaalsContact C-CD 3.42Å; I15-K22 WeakPolarHBondContact O-CD 3.24Å; G16-K22 PolarHBondContact O-NZ 3.18Å; N17-K22 PolarHBondContact O-NZ 3.11Å; N17-K22 VanDerWaalsContact O-NZ 3.12Å; V20-K22 HydrophobicContact CG2-CD 4.35Å; V20-K22 HydrophobicContact CG2-CG 3.72Å; K22-C24 VanDerWaalsContact C-N 3.26Å; K22-C24 PolarHBondContact O-N 3.03Å; K22-L25 WeakPolarHBondContact O-CB 3.43Å; K22-L25 PolarHBondContact O-N 3.36Å; K22-V26 PolarHBondContact O-N 2.86Å; K22-D64 VanDerWaalsContact CB-OD1 3.3Å; K22-D64 WeakPolarHBondContact CB-OD1 3.29Å; K22-T65 WeakPolarHBondContact CE-O 3.41Å; K22-G67 VanDerWaalsContact NZ-CA 3.33Å
23	T	95.8	Very high	95.4	Very high	12 Å²	12	27.7 Å²	27.7	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-39.3	176.6	-45.1	0	0	0	0	112.7	G21 V26 R27 Q38 T41 D64	G21-T23 PolarHBondContact O-N 3.07Å; T23-V26 PolarHBondContact O-N 3.42Å; T23-R27 HydrophobicContact CG2-CG 4.48Å; T23-R27 WeakPolarHBondContact O-CB 3.5Å; T23-R27 WeakPolarHBondContact O-CG 2.92Å; T23-R27 PolarHBondContact O-N 3.37Å; T23-Q38 HydrophobicContact CG2-CG 4.08Å; T23-T41 PolarHBondContact OG1-OG1 3.14Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 WeakPolarHBondContact CB-OD2 3.41Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.49Å; T23-D64 PolarHBondContact N-OD1 2.53Å; T23-D64 PolarHBondContact OG1-OD1 2.8Å; T23-D64 PolarHBondContact OG1-OD2 3.09Å
24	C	96.7	Very high	95.1	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-38.9	177.9	-60.5	0	0	0	0	111.4	G21 K22 R28 F34 A153	G21-C24 WeakPolarHBondContact O-CB 3.3Å; G21-C24 PolarHBondContact O-N 3.24Å; G21-C24 VanDerWaalsContact O-N 3.12Å; K22-C24 VanDerWaalsContact C-N 3.26Å; K22-C24 PolarHBondContact O-N 3.03Å; C24-R28 WeakPolarHBondContact O-CB 3.23Å; C24-R28 PolarHBondContact O-N 2.94Å; C24-F34 HydrophobicContact CB-CD2 4.09Å; C24-F34 HydrophobicContact CB-CE2 4.05Å; C24-A153 HydrophobicContact CB-CB 3.64Å
25	L	97.9	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-48.5	174	-71.8	169.5	0	0	0	111.3	L14 G21 K22 R27 R28 F29 T88 V120 N122 A153 V159	L14-L25 HydrophobicContact CD2-CB 4.28Å; G21-L25 PolarHBondContact O-N 3.27Å; K22-L25 WeakPolarHBondContact O-CB 3.43Å; K22-L25 PolarHBondContact O-N 3.36Å; L25-R27 PolarHBondContact O-N 3.3Å; L25-R28 PolarHBondContact O-N 2.88Å; L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 PolarHBondContact O-N 2.79Å; L25-T88 HydrophobicContact CD1-CG2 3.99Å; L25-V120 HydrophobicContact CD1-CG1 4.27Å; L25-N122 HydrophobicContact CD1-CB 4.47Å; L25-A153 HydrophobicContact CD2-CB 3.91Å; L25-A153 HydrophobicContact CG-CB 4.17Å; L25-V159 HydrophobicContact CD2-CG1 4.42Å; L25-V159 HydrophobicContact CD2-CG2 3.91Å
26	V	96.8	Very high	93.6	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-48.3	178.8	178	0	0	0	0	111	L14 K22 T23 F29 T30 M47 I62 D64	L14-V26 HydrophobicContact CD1-CG2 3.49Å; L14-V26 VanDerWaalsContact CD1-CG2 3.49Å; L14-V26 HydrophobicContact CD2-CG2 3.47Å; L14-V26 VanDerWaalsContact CD2-CG2 3.47Å; L14-V26 HydrophobicContact CG-CG2 4.07Å; K22-V26 PolarHBondContact O-N 2.86Å; T23-V26 PolarHBondContact O-N 3.42Å; V26-F29 PolarHBondContact O-N 2.8Å; V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 WeakPolarHBondContact O-CB 3.4Å; V26-T30 VanDerWaalsContact O-CG2 3.3Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 3.16Å; V26-T30 PolarHBondContact O-OG1 2.91Å; V26-M47 HydrophobicContact CG1-CB 4.05Å; V26-M47 HydrophobicContact CG1-CG 3.82Å; V26-I62 HydrophobicContact CG1-CG2 4.04Å; V26-I62 HydrophobicContact CG2-CG2 3.8Å; V26-D64 HydrophobicContact CG2-CB 4.1Å
27	R	95.1	Very high	92.8	Very high	76 Å²	76	41.8 Å²	41.8	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-37.8	179.4	-73.4	-177.2	174	-150.5	-1.4	112.5	T23 L25 F29 Q31 G32 L33	T23-R27 HydrophobicContact CG2-CG 4.48Å; T23-R27 WeakPolarHBondContact O-CB 3.5Å; T23-R27 WeakPolarHBondContact O-CG 2.92Å; T23-R27 PolarHBondContact O-N 3.37Å; L25-R27 PolarHBondContact O-N 3.3Å; R27-F29 VanDerWaalsContact C-N 3.34Å; R27-F29 PolarHBondContact O-N 3.22Å; R27-Q31 WeakPolarHBondContact O-CA 3.45Å; R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 PolarHBondContact O-N 2.89Å; R27-G32 PolarHBondContact O-N 3.44Å; R27-L33 CarbonylContact C-O 3.58Å; R27-L33 PolarHBondContact O-N 3.02Å
28	R	96.8	Very high	92.2	Very high	51 Å²	51	43.4 Å²	43.4	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-44.5	175.7	179.4	60.2	74.9	-179.9	19.5	110.6	C24 L25 G32 L33 A153 K154 V159	C24-R28 WeakPolarHBondContact O-CB 3.23Å; C24-R28 PolarHBondContact O-N 2.94Å; L25-R28 PolarHBondContact O-N 2.88Å; R28-G32 PolarHBondContact NH1-O 3.04Å; R28-G32 WeakPolarHBondContact O-CA 3.31Å; R28-G32 PolarHBondContact O-N 3.49Å; R28-L33 VanDerWaalsContact CA-O 3.31Å; R28-L33 WeakPolarHBondContact CA-O 3.25Å; R28-L33 PolarHBondContact N-O 2.9Å; R28-A153 PolarHBondContact NE-O 2.99Å; R28-K154 PolarHBondContact NH2-O 2.85Å; R28-V159 HydrophobicContact CB-CG1 4.07Å; R28-V159 HydrophobicContact CG-CB 4.17Å; R28-V159 HydrophobicContact CG-CG1 3.86Å; R28-V159 HydrophobicContact CG-CG2 4.05Å
29	F	97.4	Very high	91.7	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-46.6	177.6	178	-118.3	0	0	0	113.1	L25 V26 R27 K49 V51 L60 I62 V159 F163	L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 PolarHBondContact O-N 2.79Å; V26-F29 PolarHBondContact O-N 2.8Å; R27-F29 VanDerWaalsContact C-N 3.34Å; R27-F29 PolarHBondContact O-N 3.22Å; F29-K49 HydrophobicContact CD1-CD 4.05Å; F29-K49 HydrophobicContact CE1-CB 4.12Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.21Å; F29-K49 HydrophobicContact CE2-CD 4.18Å; F29-K49 HydrophobicContact CG-CD 4.47Å; F29-K49 HydrophobicContact CZ-CD 3.73Å; F29-K49 HydrophobicContact CZ-CG 4.35Å; F29-K49 PolarHBondContact O-NZ 3.47Å; F29-V51 HydrophobicContact CZ-CG1 4.03Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4.01Å; F29-I62 HydrophobicContact CD1-CD1 3.73Å; F29-I62 HydrophobicContact CE1-CD1 3.78Å; F29-V159 HydrophobicContact CB-CG1 3.98Å; F29-F163 HydrophobicContact CB-CD2 3.59Å; F29-F163 HydrophobicContact CB-CE2 3.48Å; F29-F163 VanDerWaalsContact CB-CE2 3.48Å; F29-F163 HydrophobicContact CB-CG 4.46Å; F29-F163 HydrophobicContact CB-CZ 4.26Å; F29-F163 HydrophobicContact CD1-CB 4.09Å; F29-F163 AromaticContact CD1-CD1 3.92Å; F29-F163 HydrophobicContact CD1-CD1 3.92Å; F29-F163 AromaticContact CD1-CD2 3.6Å; F29-F163 HydrophobicContact CD1-CD2 3.6Å; F29-F163 HydrophobicContact CD1-CE1 4.24Å; F29-F163 AromaticContact CD1-CE2 3.96Å; F29-F163 HydrophobicContact CD1-CE2 3.96Å; F29-F163 AromaticContact CD1-CG 3.59Å; F29-F163 HydrophobicContact CD1-CG 3.59Å; F29-F163 HydrophobicContact CD1-CZ 4.26Å; F29-F163 HydrophobicContact CD2-CB 3.99Å; F29-F163 AromaticContact CD2-CD2 3.6Å; F29-F163 HydrophobicContact CD2-CD2 3.6Å; F29-F163 HydrophobicContact CD2-CE2 4.39Å; F29-F163 AromaticContact CD2-CG 4Å; F29-F163 HydrophobicContact CD2-CG 4Å; F29-F163 HydrophobicContact CE1-CB 3.71Å; F29-F163 AromaticContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD2 4.13Å; F29-F163 AromaticContact CE1-CG 3.68Å; F29-F163 HydrophobicContact CE1-CG 3.68Å; F29-F163 HydrophobicContact CE2-CB 3.61Å; F29-F163 HydrophobicContact CE2-CD2 4.15Å; F29-F163 HydrophobicContact CE2-CG 4.09Å; F29-F163 HydrophobicContact CG-CB 4.22Å; F29-F163 HydrophobicContact CG-CD1 4.47Å; F29-F163 AromaticContact CG-CD2 3.3Å; F29-F163 HydrophobicContact CG-CD2 3.3Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.42Å; F29-F163 HydrophobicContact CZ-CB 3.46Å; F29-F163 VanDerWaalsContact CZ-CB 3.46Å; F29-F163 HydrophobicContact CZ-CD2 4.38Å; F29-F163 AromaticContact CZ-CG 3.94Å; F29-F163 HydrophobicContact CZ-CG 3.94Å
30	T	95.1	Very high	91.2	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-82.5	-35.3	-170.8	55.9	0	0	0	0	113.6	V26 M47 K49 I62	V26-T30 HydrophobicContact CG1-CG2 4.18Å; V26-T30 WeakPolarHBondContact O-CB 3.4Å; V26-T30 VanDerWaalsContact O-CG2 3.3Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 3.16Å; V26-T30 PolarHBondContact O-OG1 2.91Å; T30-M47 HydrophobicContact CG2-CB 3.97Å; T30-K49 HydrophobicContact CG2-CB 4.3Å; T30-I62 HydrophobicContact CG2-CD1 4.07Å
31	Q	93.6	Very high	90.4	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	28%	0.282	S	S	.	.	H	α-helix	trans	-118.7	-9.5	-171.9	-59.1	168.5	7	0	0	112.7	R27 L33 M47	R27-Q31 WeakPolarHBondContact O-CA 3.45Å; R27-Q31 WeakPolarHBondContact O-CB 3.37Å; R27-Q31 PolarHBondContact O-N 2.89Å; Q31-L33 HydrophobicContact CB-CB 4.3Å; Q31-L33 HydrophobicContact CB-CD1 4.11Å; Q31-L33 HydrophobicContact CB-CG 4.02Å; Q31-L33 PolarHBondContact O-N 3.11Å; Q31-M47 HydrophobicContact CG-CE 4.21Å; Q31-M47 VanDerWaalsContact NE2-CE 3.29Å
32	G	92.6	Very high	89.6	Confident	44 Å²	44	50.6 Å²	50.6	45%	0.454	31%	0.31	S	S	.	.	S	Bend	trans	70.5	15.1	-173	0	0	0	0	0	113.2	R27 R28	R27-G32 PolarHBondContact O-N 3.44Å; R28-G32 PolarHBondContact NH1-O 3.04Å; R28-G32 WeakPolarHBondContact O-CA 3.31Å; R28-G32 PolarHBondContact O-N 3.49Å
33	L	90.1	Very high	88.8	Confident	99 Å²	99	50.9 Å²	50.9	52%	0.518	32%	0.316	S	S	.	.			trans	-110.7	142.6	-172.9	-61.6	178.4	0	0	0	112.3	R27 R28 Q31	R27-L33 CarbonylContact C-O 3.58Å; R27-L33 PolarHBondContact O-N 3.02Å; R28-L33 VanDerWaalsContact CA-O 3.31Å; R28-L33 WeakPolarHBondContact CA-O 3.25Å; R28-L33 PolarHBondContact N-O 2.9Å; Q31-L33 HydrophobicContact CB-CB 4.3Å; Q31-L33 HydrophobicContact CB-CD1 4.11Å; Q31-L33 HydrophobicContact CB-CG 4.02Å; Q31-L33 PolarHBondContact O-N 3.11Å
34	F	91	Very high	88.3	Confident	74 Å²	74	52.1 Å²	52.1	33%	0.325	32%	0.323	S	S	.	.			trans	-112.7	106.7	163.5	177.8	-96.4	0	0	0	109.1	C24 P36 A153 K154	C24-F34 HydrophobicContact CB-CD2 4.09Å; C24-F34 HydrophobicContact CB-CE2 4.05Å; F34-P36 WeakPolarHBondContact O-CD 3.26Å; F34-A153 HydrophobicContact CD2-CB 4.28Å; F34-A153 WeakPolarHBondContact CD2-O 3.44Å; F34-A153 HydrophobicContact CE2-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.28Å; F34-K154 HydrophobicContact CD2-CB 4.13Å; F34-K154 HydrophobicContact CE1-CB 4.39Å; F34-K154 HydrophobicContact CE1-CG 4.01Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CE2-CG 4.34Å; F34-K154 HydrophobicContact CZ-CB 3.95Å; F34-K154 HydrophobicContact CZ-CG 4.03Å
35	P	80.1	Confident	87.9	Confident	24 Å²	24	54.8 Å²	54.8	16%	0.156	34%	0.337	C	S	.	.			trans	-74.6	109.9	178.9	27	-30.8	0	0	0	110.5	G37 Q38	P35-G37 PolarHBondContact O-N 2.92Å; P35-Q38 HydrophobicContact CG-CB 4.12Å; P35-Q38 HydrophobicContact CG-CG 4.35Å; P35-Q38 PolarHBondContact O-N 2.63Å
36	P	79.8	Confident	87.6	Confident	115 Å²	115	57.2 Å²	57.2	75%	0.747	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	136.5	175.1	28.9	-33.7	0	0	0	109.5	F34 Q38	F34-P36 WeakPolarHBondContact O-CD 3.26Å; P36-Q38 VanDerWaalsContact C-N 3.35Å; P36-Q38 PolarHBondContact O-N 3.49Å
37	G	79.2	Confident	87.4	Confident	82 Å²	82	59.1 Å²	59.1	85%	0.845	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	26.7	179.3	0	0	0	0	0	114.5	P35 G39	P35-G37 PolarHBondContact O-N 2.92Å; G37-G39 PolarHBondContact O-N 3.25Å; G37-G39 VanDerWaalsContact O-N 3.07Å
38	Q	82.3	Confident	87.4	Confident	68 Å²	68	59.5 Å²	59.5	32%	0.318	36%	0.363	S	S	.	.			trans	-48.9	115.8	173.7	-177.3	57.2	54.2	0	0	111.3	T23 P35 P36	T23-Q38 HydrophobicContact CG2-CG 4.08Å; P35-Q38 HydrophobicContact CG-CB 4.12Å; P35-Q38 HydrophobicContact CG-CG 4.35Å; P35-Q38 PolarHBondContact O-N 2.63Å; P36-Q38 VanDerWaalsContact C-N 3.35Å; P36-Q38 PolarHBondContact O-N 3.49Å
39	G	81.6	Confident	87.4	Confident	48 Å²	48	59.7 Å²	59.7	50%	0.495	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.2	170.2	174.9	0	0	0	0	0	112.3	G37 T41	G37-G39 PolarHBondContact O-N 3.25Å; G37-G39 VanDerWaalsContact O-N 3.07Å; G39-T41 PolarHBondContact O-N 2.89Å
40	A	83.4	Confident	87.3	Confident	58 Å²	58	62.9 Å²	62.9	48%	0.479	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.6	176.2	0	0	0	0	0	111.2	I42	A40-I42 PolarHBondContact O-N 3.41Å
41	T	80.1	Confident	87.3	Confident	25 Å²	25	62.3 Å²	62.3	15%	0.153	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-62.9	131.2	171.7	-46	0	0	0	0	109.8	T23 G39 D64 A66	T23-T41 PolarHBondContact OG1-OG1 3.14Å; G39-T41 PolarHBondContact O-N 2.89Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; T41-A66 VanDerWaalsContact O-CB 3.27Å; T41-A66 WeakPolarHBondContact O-CB 3.31Å
42	I	80	Confident	87.4	Confident	144 Å²	144	65.2 Å²	65.2	74%	0.738	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-102.4	116.8	173.1	-58.5	175.9	0	0	0	106.8	A40 F71	A40-I42 PolarHBondContact O-N 3.41Å; I42-F71 HydrophobicContact CG2-CZ 4.4Å
43	G	79.2	Confident	87.4	Confident	15 Å²	15	63.7 Å²	63.7	16%	0.155	38%	0.377	C	S	.	.	S	Bend	trans	75.1	-132.1	-177.4	0	0	0	0	0	113.1	A66	G43-A66 VanDerWaalsContact O-CB 3.24Å; G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 3.24Å
44	V	85	Confident	87.4	Confident	38 Å²	38	66.5 Å²	66.5	23%	0.23	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.4	-176.4	-176.8	0	0	0	0	108.9	W63 D64 T65 I74 Y78	V44-W63 HydrophobicContact CG1-CB 4.06Å; V44-W63 HydrophobicContact CG1-CG 4.29Å; V44-D64 CarbonylContact C-O 3.39Å; V44-D64 WeakPolarHBondContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CG1-O 3.28Å; V44-T65 HydrophobicContact CG1-CG2 4.33Å; V44-T65 HydrophobicContact CG2-CG2 4.36Å; V44-I74 HydrophobicContact CG2-CG2 4.01Å; V44-Y78 HydrophobicContact CB-CE1 4.46Å; V44-Y78 HydrophobicContact CB-CE2 4.33Å; V44-Y78 HydrophobicContact CG1-CD1 4.45Å; V44-Y78 HydrophobicContact CG1-CE1 3.93Å; V44-Y78 HydrophobicContact CG1-CE2 4.43Å; V44-Y78 HydrophobicContact CG2-CD2 4.3Å; V44-Y78 HydrophobicContact CG2-CE2 3.68Å
45	D	89.1	Confident	87.4	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.374	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	150	173.5	-165.2	11.9	0	0	0	109.9	W63 D64	D45-W63 CarbonylContact O-C 3.6Å; D45-W63 WeakPolarHBondContact O-CA 3.09Å; D45-D64 HydrophobicContact CB-CB 4.31Å; D45-D64 PolarHBondContact N-O 3.47Å; D45-D64 PolarHBondContact O-N 2.71Å
46	F	90.9	Very high	88	Confident	51 Å²	51	66.8 Å²	66.8	22%	0.224	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125	-171.9	174.5	-110.4	0	0	0	111.2	I48 Q61 W63	F46-I48 HydrophobicContact CE1-CD1 3.66Å; F46-I48 HydrophobicContact CE1-CG1 3.59Å; F46-I48 HydrophobicContact CE2-CG1 4.33Å; F46-I48 HydrophobicContact CZ-CD1 3.69Å; F46-I48 HydrophobicContact CZ-CG1 3.47Å; F46-I48 VanDerWaalsContact CZ-CG1 3.47Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.98Å; F46-Q61 HydrophobicContact CZ-CB 4.17Å; F46-Q61 HydrophobicContact CZ-CG 3.83Å; F46-W63 AromaticContact CD2-CD2 3.87Å; F46-W63 HydrophobicContact CD2-CD2 3.87Å; F46-W63 AromaticContact CD2-CE2 3.46Å; F46-W63 VanDerWaalsContact CD2-CE2 3.46Å; F46-W63 HydrophobicContact CD2-CE3 4.43Å; F46-W63 HydrophobicContact CD2-CG 4.26Å; F46-W63 HydrophobicContact CD2-CH2 4.31Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-NE1 3.63Å; F46-W63 HydrophobicContact CE2-CD2 4.19Å; F46-W63 AromaticContact CE2-CE2 3.68Å; F46-W63 HydrophobicContact CE2-CE3 4.38Å; F46-W63 AromaticContact CE2-CH2 3.68Å; F46-W63 HydrophobicContact CE2-CH2 3.68Å; F46-W63 AromaticContact CE2-CZ2 3.4Å; F46-W63 HydrophobicContact CE2-CZ2 3.4Å; F46-W63 HydrophobicContact CE2-CZ3 4.15Å; F46-W63 HydrophobicContact CZ-CZ2 4.35Å
47	M	93.6	Very high	88.8	Confident	42 Å²	42	65 Å²	65	21%	0.207	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.6	179.8	-64.5	-63.9	-65.4	0	0	110.8	V26 T30 Q31 I62	V26-M47 HydrophobicContact CG1-CB 4.05Å; V26-M47 HydrophobicContact CG1-CG 3.82Å; T30-M47 HydrophobicContact CG2-CB 3.97Å; Q31-M47 HydrophobicContact CG-CE 4.21Å; Q31-M47 VanDerWaalsContact NE2-CE 3.29Å; M47-I62 PolarHBondContact N-O 2.96Å; M47-I62 PolarHBondContact O-N 2.85Å
48	I	95.1	Very high	89.6	Confident	85 Å²	85	61.1 Å²	61.1	44%	0.436	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.3	173.1	-59	-179.3	0	0	0	109	F46 K59 L60 Q61	F46-I48 HydrophobicContact CE1-CD1 3.66Å; F46-I48 HydrophobicContact CE1-CG1 3.59Å; F46-I48 HydrophobicContact CE2-CG1 4.33Å; F46-I48 HydrophobicContact CZ-CD1 3.69Å; F46-I48 HydrophobicContact CZ-CG1 3.47Å; F46-I48 VanDerWaalsContact CZ-CG1 3.47Å; I48-K59 HydrophobicContact CG2-CD 4.09Å; I48-K59 HydrophobicContact CG2-CG 3.74Å; I48-L60 VanDerWaalsContact CA-O 3.31Å; I48-L60 WeakPolarHBondContact CA-O 3.23Å; I48-Q61 HydrophobicContact CG1-CG 4.29Å
49	K	95.6	Very high	90.3	Very high	55 Å²	55	60.2 Å²	60.2	24%	0.239	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.2	166.3	-178.2	164.6	173	-169.4	0	110	F29 T30 V51 L60	F29-K49 HydrophobicContact CD1-CD 4.05Å; F29-K49 HydrophobicContact CE1-CB 4.12Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.21Å; F29-K49 HydrophobicContact CE2-CD 4.18Å; F29-K49 HydrophobicContact CG-CD 4.47Å; F29-K49 HydrophobicContact CZ-CD 3.73Å; F29-K49 HydrophobicContact CZ-CG 4.35Å; F29-K49 PolarHBondContact O-NZ 3.47Å; T30-K49 HydrophobicContact CG2-CB 4.3Å; K49-V51 HydrophobicContact CD-CG1 4.47Å; K49-V51 HydrophobicContact CG-CG1 4.11Å; K49-L60 PolarHBondContact N-O 2.96Å; K49-L60 WeakPolarHBondContact O-CB 3.29Å; K49-L60 PolarHBondContact O-N 3.2Å
50	T	95.9	Very high	91.1	Very high	75 Å²	75	58 Å²	58	46%	0.46	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.5	169.5	-55.7	0	0	0	0	108.9	V58	T50-V58 CarbonylContact C-O 3.57Å; T50-V58 VanDerWaalsContact CA-O 3.31Å; T50-V58 WeakPolarHBondContact CA-O 3.39Å
51	V	95.8	Very high	91.7	Very high	18 Å²	18	56.1 Å²	56.1	11%	0.109	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.7	174.8	-62.5	0	0	0	0	109.3	F29 K49 I53 V58 L60 L164	F29-V51 HydrophobicContact CZ-CG1 4.03Å; K49-V51 HydrophobicContact CD-CG1 4.47Å; K49-V51 HydrophobicContact CG-CG1 4.11Å; V51-I53 HydrophobicContact CG2-CD1 3.95Å; V51-I53 HydrophobicContact CG2-CG1 4.07Å; V51-V58 HydrophobicContact CG2-CB 4.03Å; V51-V58 PolarHBondContact N-O 3.31Å; V51-V58 PolarHBondContact O-N 3.3Å; V51-L60 HydrophobicContact CG2-CD1 4.21Å; V51-L60 HydrophobicContact CG2-CG 4.42Å; V51-L164 HydrophobicContact CB-CD2 4.08Å; V51-L164 HydrophobicContact CG1-CD2 4.1Å; V51-L164 HydrophobicContact CG2-CD2 4.07Å
52	E	94.9	Very high	92.5	Very high	140 Å²	140	55 Å²	55	65%	0.654	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	173.7	-169	179.6	147.9	0	0	108.9	E56	E52-E56 WeakPolarHBondContact CA-O 3.32Å
53	I	93.3	Very high	93.2	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.1	-176.6	-60.5	178.7	0	0	0	108	V51 G55 E56 V58 L164 A167 C168 I171	V51-I53 HydrophobicContact CG2-CD1 3.95Å; V51-I53 HydrophobicContact CG2-CG1 4.07Å; I53-G55 PolarHBondContact O-N 2.97Å; I53-E56 PolarHBondContact N-O 2.99Å; I53-E56 WeakPolarHBondContact O-CB 3.24Å; I53-E56 PolarHBondContact O-N 3.42Å; I53-V58 HydrophobicContact CB-CG2 4.47Å; I53-V58 HydrophobicContact CD1-CG2 4.34Å; I53-L164 HydrophobicContact CD1-CD2 4.17Å; I53-L164 HydrophobicContact CG1-CD2 4.36Å; I53-A167 HydrophobicContact CD1-CB 3.39Å; I53-C168 WeakPolarHBondContact CG2-SG 3.21Å; I53-I171 HydrophobicContact CB-CD1 4.09Å; I53-I171 HydrophobicContact CD1-CD1 4.48Å; I53-I171 HydrophobicContact CG2-CD1 3.99Å
54	N	89.9	Confident	93.8	Very high	158 Å²	158	47.6 Å²	47.6	85%	0.845	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.1	-178.8	-57.4	-41.2	0	0	0	113.8	E56	N54-E56 VanDerWaalsContact C-N 3.31Å
55	G	90.5	Very high	94.1	Very high	53 Å²	53	45.8 Å²	45.8	55%	0.546	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-0.8	-177.9	0	0	0	0	0	115.2	I53	I53-G55 PolarHBondContact O-N 2.97Å
56	E	93.1	Very high	93.8	Very high	50 Å²	50	42.4 Å²	42.4	23%	0.234	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.9	175.6	-51.3	-89.5	-167.5	0	0	108.9	D7 Y8 E52 I53 N54 V58 K175	D7-E56 HydrophobicContact CB-CB 4.44Å; D7-E56 WeakPolarHBondContact CB-OE2 3.5Å; D7-E56 WeakPolarHBondContact OD2-CA 3.47Å; Y8-E56 HydrophobicContact CD2-CB 4.27Å; Y8-E56 HydrophobicContact CE2-CB 4.19Å; Y8-E56 HydrophobicContact CE2-CG 4.21Å; E52-E56 WeakPolarHBondContact CA-O 3.32Å; I53-E56 PolarHBondContact N-O 2.99Å; I53-E56 WeakPolarHBondContact O-CB 3.24Å; I53-E56 PolarHBondContact O-N 3.42Å; N54-E56 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 3.27Å; E56-K175 IonicContact OE1-NZ 2.82Å; E56-K175 PolarHBondContact OE1-NZ 2.91Å
57	K	95.6	Very high	93.1	Very high	79 Å²	79	40.4 Å²	40.4	34%	0.343	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.5	173.7	-70.3	-175.3	-172.7	-180	0	109.6	D5 D7 Y8	D5-K57 VanDerWaalsContact O-CD 3.24Å; D5-K57 WeakPolarHBondContact O-CD 3.46Å; D5-K57 IonicContact OD1-NZ 2.78Å; D5-K57 PolarHBondContact OD1-NZ 3.29Å; D5-K57 IonicContact OD2-NZ 3.67Å; D7-K57 PolarHBondContact N-O 3.4Å; D7-K57 PolarHBondContact OD2-N 2.99Å; Y8-K57 PolarHBondContact N-O 2.88Å
58	V	96.8	Very high	92.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.3	-178.7	-173.1	0	0	0	0	109.9	Y8 F10 T50 V51 I53 E56 L60 A167 I171	Y8-V58 HydrophobicContact CD2-CG2 4.43Å; F10-V58 HydrophobicContact CD2-CG1 3.5Å; F10-V58 VanDerWaalsContact CD2-CG1 3.5Å; F10-V58 HydrophobicContact CE2-CG1 3.81Å; T50-V58 CarbonylContact C-O 3.57Å; T50-V58 VanDerWaalsContact CA-O 3.31Å; T50-V58 WeakPolarHBondContact CA-O 3.39Å; V51-V58 HydrophobicContact CG2-CB 4.03Å; V51-V58 PolarHBondContact N-O 3.31Å; V51-V58 PolarHBondContact O-N 3.3Å; I53-V58 HydrophobicContact CB-CG2 4.47Å; I53-V58 HydrophobicContact CD1-CG2 4.34Å; E56-V58 PolarHBondContact O-N 3.27Å; V58-L60 HydrophobicContact CG1-CD2 3.66Å; V58-L60 HydrophobicContact CG1-CG 4.36Å; V58-A167 HydrophobicContact CG1-CB 4.5Å; V58-I171 HydrophobicContact CG2-CD1 3.75Å; V58-I171 HydrophobicContact CG2-CG1 4.27Å
59	K	97	Very high	90.9	Very high	49 Å²	49	42.2 Å²	42.2	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.6	171	-173.2	179.6	-67.2	172.7	0	109.4	Y6 Y8 L9 F10 I48	Y6-K59 HydrophobicContact CD1-CB 4.23Å; Y6-K59 HydrophobicContact CD1-CD 4.16Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.29Å; Y6-K59 HydrophobicContact CD2-CB 4.26Å; Y6-K59 HydrophobicContact CE1-CD 4.06Å; Y6-K59 HydrophobicContact CG-CB 3.97Å; Y8-K59 PolarHBondContact O-N 2.97Å; L9-K59 WeakPolarHBondContact CA-O 3.46Å; L9-K59 HydrophobicContact CD1-CB 3.88Å; L9-K59 HydrophobicContact CD1-CD 3.75Å; L9-K59 HydrophobicContact CD1-CG 3.82Å; F10-K59 PolarHBondContact N-O 2.95Å; I48-K59 HydrophobicContact CG2-CD 4.09Å; I48-K59 HydrophobicContact CG2-CG 3.74Å
60	L	97.3	Very high	89.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.3	173.8	-55.7	-179.2	0	0	0	109.6	F10 I12 F29 I48 K49 V51 V58 I62 F163 A167	F10-L60 HydrophobicContact CB-CD2 4.02Å; F10-L60 HydrophobicContact CD2-CD2 4.25Å; I12-L60 HydrophobicContact CD1-CB 4.47Å; I12-L60 HydrophobicContact CD1-CD1 4.31Å; I12-L60 HydrophobicContact CD1-CD2 3.98Å; I12-L60 HydrophobicContact CD1-CG 4.49Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4.01Å; I48-L60 VanDerWaalsContact CA-O 3.31Å; I48-L60 WeakPolarHBondContact CA-O 3.23Å; K49-L60 PolarHBondContact N-O 2.96Å; K49-L60 WeakPolarHBondContact O-CB 3.29Å; K49-L60 PolarHBondContact O-N 3.2Å; V51-L60 HydrophobicContact CG2-CD1 4.21Å; V51-L60 HydrophobicContact CG2-CG 4.42Å; V58-L60 HydrophobicContact CG1-CD2 3.66Å; V58-L60 HydrophobicContact CG1-CG 4.36Å; L60-I62 HydrophobicContact CB-CD1 4.31Å; L60-I62 HydrophobicContact CB-CG1 4.18Å; L60-F163 HydrophobicContact CD1-CB 4.41Å; L60-A167 HydrophobicContact CD1-CB 4.5Å; L60-A167 HydrophobicContact CD2-CB 4.09Å
61	Q	96.8	Very high	88.4	Confident	20 Å²	20	47 Å²	47	9%	0.093	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.8	169.7	-78.8	-173.5	-28.8	0	0	108	L9 F10 K11 I12 F46 I48 W63	L9-Q61 HydrophobicContact CD1-CG 3.77Å; F10-Q61 PolarHBondContact O-N 2.88Å; K11-Q61 WeakPolarHBondContact CA-O 3.39Å; K11-Q61 HydrophobicContact CG-CB 4.42Å; I12-Q61 PolarHBondContact N-O 2.94Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.98Å; F46-Q61 HydrophobicContact CZ-CB 4.17Å; F46-Q61 HydrophobicContact CZ-CG 3.83Å; I48-Q61 HydrophobicContact CG1-CG 4.29Å; Q61-W63 HydrophobicContact CB-CE3 4.39Å; Q61-W63 HydrophobicContact CB-CH2 3.55Å; Q61-W63 HydrophobicContact CB-CZ3 3.42Å; Q61-W63 VanDerWaalsContact CB-CZ3 3.42Å; Q61-W63 HydrophobicContact CG-CH2 4.33Å; Q61-W63 VanDerWaalsContact O-CZ3 3.26Å; Q61-W63 WeakPolarHBondContact O-CZ3 3.32Å
62	I	96.7	Very high	87.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.9	-167.1	-53.2	172.9	0	0	0	109.3	I12 L14 V26 F29 T30 M47 L60 F163	I12-I62 CarbonylContact O-C 3.45Å; I12-I62 WeakPolarHBondContact O-CA 3.5Å; L14-I62 HydrophobicContact CD1-CG2 3.39Å; V26-I62 HydrophobicContact CG1-CG2 4.04Å; V26-I62 HydrophobicContact CG2-CG2 3.8Å; F29-I62 HydrophobicContact CD1-CD1 3.73Å; F29-I62 HydrophobicContact CE1-CD1 3.78Å; T30-I62 HydrophobicContact CG2-CD1 4.07Å; M47-I62 PolarHBondContact N-O 2.96Å; M47-I62 PolarHBondContact O-N 2.85Å; L60-I62 HydrophobicContact CB-CD1 4.31Å; L60-I62 HydrophobicContact CB-CG1 4.18Å; I62-F163 HydrophobicContact CD1-CD1 4.11Å; I62-F163 HydrophobicContact CD1-CE1 3.93Å; I62-F163 HydrophobicContact CG2-CE1 4.28Å
63	W	94.8	Very high	86.1	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	174.6	-71.9	-95.9	0	0	0	110.4	K11 I12 V13 L14 V44 D45 F46 Q61 Y78 M187 E190	K11-W63 HydrophobicContact CB-CE3 4.44Å; K11-W63 HydrophobicContact CB-CH2 4.1Å; K11-W63 HydrophobicContact CB-CZ3 3.52Å; K11-W63 HydrophobicContact CD-CH2 4.11Å; K11-W63 HydrophobicContact CD-CZ3 4.37Å; K11-W63 HydrophobicContact CG-CH2 3.71Å; K11-W63 HydrophobicContact CG-CZ3 3.65Å; I12-W63 PolarHBondContact O-N 2.62Å; V13-W63 HydrophobicContact CB-CB 4.47Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; V13-W63 HydrophobicContact CG2-CB 4.22Å; V13-W63 HydrophobicContact CG2-CE3 4.42Å; L14-W63 PolarHBondContact N-O 2.81Å; V44-W63 HydrophobicContact CG1-CB 4.06Å; V44-W63 HydrophobicContact CG1-CG 4.29Å; D45-W63 CarbonylContact O-C 3.6Å; D45-W63 WeakPolarHBondContact O-CA 3.09Å; F46-W63 AromaticContact CD2-CD2 3.87Å; F46-W63 HydrophobicContact CD2-CD2 3.87Å; F46-W63 AromaticContact CD2-CE2 3.46Å; F46-W63 VanDerWaalsContact CD2-CE2 3.46Å; F46-W63 HydrophobicContact CD2-CE3 4.43Å; F46-W63 HydrophobicContact CD2-CG 4.26Å; F46-W63 HydrophobicContact CD2-CH2 4.31Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-NE1 3.63Å; F46-W63 HydrophobicContact CE2-CD2 4.19Å; F46-W63 AromaticContact CE2-CE2 3.68Å; F46-W63 HydrophobicContact CE2-CE3 4.38Å; F46-W63 AromaticContact CE2-CH2 3.68Å; F46-W63 HydrophobicContact CE2-CH2 3.68Å; F46-W63 AromaticContact CE2-CZ2 3.4Å; F46-W63 HydrophobicContact CE2-CZ2 3.4Å; F46-W63 HydrophobicContact CE2-CZ3 4.15Å; F46-W63 HydrophobicContact CZ-CZ2 4.35Å; Q61-W63 HydrophobicContact CB-CE3 4.39Å; Q61-W63 HydrophobicContact CB-CH2 3.55Å; Q61-W63 HydrophobicContact CB-CZ3 3.42Å; Q61-W63 VanDerWaalsContact CB-CZ3 3.42Å; Q61-W63 HydrophobicContact CG-CH2 4.33Å; Q61-W63 VanDerWaalsContact O-CZ3 3.26Å; Q61-W63 WeakPolarHBondContact O-CZ3 3.32Å; W63-Y78 AromaticContact CD1-CD1 3.37Å; W63-Y78 AromaticContact CD1-CE1 3.3Å; W63-Y78 HydrophobicContact CD2-CD1 4.44Å; W63-Y78 AromaticContact CG-CD1 3.88Å; W63-Y78 HydrophobicContact CG-CD1 3.88Å; W63-Y78 HydrophobicContact CG-CE1 4.24Å; W63-Y78 AromaticContact NE1-CD1 3.63Å; W63-Y78 AromaticContact NE1-CE1 3.49Å; W63-M187 HydrophobicContact CD2-CE 3.59Å; W63-M187 HydrophobicContact CE3-CE 3.59Å; W63-M187 HydrophobicContact CG-CE 4.26Å; W63-M187 HydrophobicContact CH2-CB 4.16Å; W63-M187 HydrophobicContact CH2-CE 3.89Å; W63-M187 HydrophobicContact CH2-CG 3.95Å; W63-M187 HydrophobicContact CZ2-CB 3.49Å; W63-M187 VanDerWaalsContact CZ2-CB 3.49Å; W63-M187 HydrophobicContact CZ2-CE 3.91Å; W63-M187 HydrophobicContact CZ2-CG 3.78Å; W63-M187 HydrophobicContact CZ3-CE 3.74Å; W63-E190 HydrophobicContact CZ2-CG 3.77Å
64	D	92.7	Very high	85.1	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.7	167.8	-179.4	40.8	0	0	0	109.5	K22 T23 V26 T41 V44 D45	K22-D64 VanDerWaalsContact CB-OD1 3.3Å; K22-D64 WeakPolarHBondContact CB-OD1 3.29Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 WeakPolarHBondContact CB-OD2 3.41Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.49Å; T23-D64 PolarHBondContact N-OD1 2.53Å; T23-D64 PolarHBondContact OG1-OD1 2.8Å; T23-D64 PolarHBondContact OG1-OD2 3.09Å; V26-D64 HydrophobicContact CG2-CB 4.1Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; V44-D64 CarbonylContact C-O 3.39Å; V44-D64 WeakPolarHBondContact CA-O 3.32Å; V44-D64 WeakPolarHBondContact CG1-O 3.28Å; D45-D64 HydrophobicContact CB-CB 4.31Å; D45-D64 PolarHBondContact N-O 3.47Å; D45-D64 PolarHBondContact O-N 2.71Å
65	T	89.9	Confident	84.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.9	-174.5	70	0	0	0	0	112.3	V13 L14 K22 V44 G67 T75	V13-T65 HydrophobicContact CG1-CG2 3.52Å; L14-T65 WeakPolarHBondContact O-CB 3.45Å; L14-T65 WeakPolarHBondContact O-CG2 3.41Å; L14-T65 PolarHBondContact O-OG1 3.45Å; K22-T65 WeakPolarHBondContact CE-O 3.41Å; V44-T65 HydrophobicContact CG1-CG2 4.33Å; V44-T65 HydrophobicContact CG2-CG2 4.36Å; T65-G67 PolarHBondContact O-N 2.74Å; T65-T75 HydrophobicContact CG2-CG2 3.7Å
66	A	84.6	Confident	83.9	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-63.2	128.4	168.3	0	0	0	0	0	110.8	T41 G43 Q68 F71	T41-A66 VanDerWaalsContact O-CB 3.27Å; T41-A66 WeakPolarHBondContact O-CB 3.31Å; G43-A66 VanDerWaalsContact O-CB 3.24Å; G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 3.24Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; A66-F71 HydrophobicContact CB-CB 3.77Å; A66-F71 HydrophobicContact CB-CD2 3.69Å; A66-F71 HydrophobicContact CB-CG 4.03Å
67	G	75.2	Confident	83.4	Confident	8 Å²	8	41.4 Å²	41.4	8%	0.082	20%	0.201	C	C	.	.			trans	-88.5	4.4	177.2	0	0	0	0	0	115.1	G16 N17 A18 K22 T65	G16-G67 WeakPolarHBondContact O-CA 3.33Å; N17-G67 CarbonylContact C-O 3.46Å; A18-G67 PolarHBondContact N-O 3.08Å; K22-G67 VanDerWaalsContact NZ-CA 3.33Å; T65-G67 PolarHBondContact O-N 2.74Å
68	Q	74.5	Confident	82.9	Confident	39 Å²	39	38.6 Å²	38.6	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-84	137.7	177	-62.5	-174.2	20.6	0	0	109.8	A18 A66 R70 F71	A18-Q68 HydrophobicContact CB-CG 3.85Å; A66-Q68 VanDerWaalsContact C-N 3.35Å; Q68-R70 PolarHBondContact O-N 3.23Å; Q68-R70 VanDerWaalsContact O-N 3.11Å; Q68-F71 HydrophobicContact CB-CD2 3.98Å; Q68-F71 HydrophobicContact CB-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 2.8Å
69	E	69	Low	82.5	Confident	126 Å²	126	38.6 Å²	38.6	59%	0.589	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-54.5	-34	-179.7	64.5	-70.6	154.5	0	0	113.1	F71 R72	E69-F71 PolarHBondContact O-N 2.87Å; E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 3.06Å
70	R	67.3	Low	82	Confident	182 Å²	182	46 Å²	46	69%	0.687	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-61.2	-17.1	178.1	-63.5	-175.5	-66.7	179.6	-0.7	114.3	Q68	Q68-R70 PolarHBondContact O-N 3.23Å; Q68-R70 VanDerWaalsContact O-N 3.11Å
71	F	71.7	Confident	81.5	Confident	50 Å²	50	47.2 Å²	47.2	22%	0.219	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-112.6	6.6	178.5	-56.9	-61	0	0	0	113.3	I42 A66 Q68 E69 S73 I74 T75	I42-F71 HydrophobicContact CG2-CZ 4.4Å; A66-F71 HydrophobicContact CB-CB 3.77Å; A66-F71 HydrophobicContact CB-CD2 3.69Å; A66-F71 HydrophobicContact CB-CG 4.03Å; Q68-F71 HydrophobicContact CB-CD2 3.98Å; Q68-F71 HydrophobicContact CB-CE2 4.43Å; Q68-F71 PolarHBondContact O-N 2.8Å; E69-F71 PolarHBondContact O-N 2.87Å; F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.03Å; F71-I74 HydrophobicContact CB-CD1 4.43Å; F71-I74 HydrophobicContact CD1-CD1 3.96Å; F71-I74 WeakPolarHBondContact O-CB 3.19Å; F71-I74 PolarHBondContact O-N 3.35Å; F71-I74 VanDerWaalsContact O-N 3.11Å; F71-T75 PolarHBondContact O-N 3.03Å; F71-T75 PolarHBondContact O-OG1 2.83Å
72	R	71.9	Confident	81.4	Confident	43 Å²	43	46.6 Å²	46.6	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-37.8	-179.2	-82.1	175.1	178.6	-158.3	18.2	112.9	E69 I74 T75 Q76 E102 W103 E106	E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 3.06Å; R72-I74 PolarHBondContact O-N 3.01Å; R72-T75 WeakPolarHBondContact O-CB 3.38Å; R72-T75 PolarHBondContact O-N 3.35Å; R72-Q76 WeakPolarHBondContact O-CG 3.26Å; R72-Q76 PolarHBondContact O-N 2.87Å; R72-E102 IonicContact CZ-OE2 3.32Å; R72-E102 IonicContact NH1-OE2 2.81Å; R72-E102 PolarHBondContact NH1-OE2 2.81Å; R72-E102 IonicContact NH2-OE2 3.5Å; R72-E102 PolarHBondContact NH2-OE2 2.86Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; R72-E106 VanDerWaalsContact CD-OE1 3.28Å; R72-E106 WeakPolarHBondContact CD-OE1 3.3Å; R72-E106 IonicContact CZ-OE1 3.87Å; R72-E106 IonicContact NE-OE1 3.59Å; R72-E106 IonicContact NH1-OE1 2.71Å; R72-E106 PolarHBondContact NH1-OE1 3.45Å
73	S	70.6	Confident	81.4	Confident	86 Å²	86	47.8 Å²	47.8	60%	0.601	23%	0.228	S	C	*	.	H	α-helix	trans	-61.5	-30.3	177.8	57.1	0	0	0	0	113.7	F71	F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.03Å
74	I	71	Confident	81.5	Confident	72 Å²	72	47.7 Å²	47.7	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-69.3	-43	175.6	-59	176.2	0	0	0	109.3	V44 F71 R72 Q76 S77 Y78	V44-I74 HydrophobicContact CG2-CG2 4.01Å; F71-I74 HydrophobicContact CB-CD1 4.43Å; F71-I74 HydrophobicContact CD1-CD1 3.96Å; F71-I74 WeakPolarHBondContact O-CB 3.19Å; F71-I74 PolarHBondContact O-N 3.35Å; F71-I74 VanDerWaalsContact O-N 3.11Å; R72-I74 PolarHBondContact O-N 3.01Å; I74-Q76 PolarHBondContact O-N 3.1Å; I74-S77 PolarHBondContact O-N 2.95Å; I74-S77 PolarHBondContact O-OG 3.16Å; I74-Y78 HydrophobicContact CG2-CE2 4.14Å; I74-Y78 VanDerWaalsContact O-CD2 3.25Å; I74-Y78 WeakPolarHBondContact O-CD2 3.4Å; I74-Y78 VanDerWaalsContact O-CE2 3.23Å; I74-Y78 WeakPolarHBondContact O-CE2 3.31Å
75	T	75.3	Confident	81.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-32.9	-173.6	-54.7	0	0	0	0	112.9	I15 T65 F71 R72 S77 Y78 Y79	I15-T75 HydrophobicContact CG2-CG2 4.11Å; T65-T75 HydrophobicContact CG2-CG2 3.7Å; F71-T75 PolarHBondContact O-N 3.03Å; F71-T75 PolarHBondContact O-OG1 2.83Å; R72-T75 WeakPolarHBondContact O-CB 3.38Å; R72-T75 PolarHBondContact O-N 3.35Å; T75-S77 PolarHBondContact O-N 3.46Å; T75-Y78 WeakPolarHBondContact O-CB 3.28Å; T75-Y78 PolarHBondContact O-N 3.41Å; T75-Y79 HydrophobicContact CG2-CE1 3.5Å; T75-Y79 WeakPolarHBondContact O-CD1 3.37Å; T75-Y79 WeakPolarHBondContact O-CE1 3.32Å
76	Q	80.9	Confident	82.1	Confident	53 Å²	53	47.6 Å²	47.6	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-55.4	-35.5	178.2	-69.4	171.2	-2.4	0	0	113.6	R72 I74 Y78 Y79 Y110	R72-Q76 WeakPolarHBondContact O-CG 3.26Å; R72-Q76 PolarHBondContact O-N 2.87Å; I74-Q76 PolarHBondContact O-N 3.1Å; Q76-Y78 PolarHBondContact O-N 3.38Å; Q76-Y78 VanDerWaalsContact O-N 3.15Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Q76-Y110 HydrophobicContact CB-CD1 4.45Å; Q76-Y110 HydrophobicContact CB-CD2 4.21Å; Q76-Y110 HydrophobicContact CB-CE2 4.39Å; Q76-Y110 HydrophobicContact CB-CG 4.26Å; Q76-Y110 VanDerWaalsContact CD-CZ 3.42Å; Q76-Y110 HydrophobicContact CG-CD2 3.74Å; Q76-Y110 HydrophobicContact CG-CE2 3.63Å; Q76-Y110 HydrophobicContact CG-CG 4.29Å; Q76-Y110 PolarHBondContact NE2-OH 3.22Å; Q76-Y110 PolarHBondContact OE1-OH 3.28Å
77	S	81.4	Confident	82.7	Confident	59 Å²	59	47.6 Å²	47.6	41%	0.413	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.1	-179.3	66.5	0	0	0	0	113.9	I74 T75	I74-S77 PolarHBondContact O-N 2.95Å; I74-S77 PolarHBondContact O-OG 3.16Å; T75-S77 PolarHBondContact O-N 3.46Å
78	Y	85.9	Confident	83.8	Confident	20 Å²	20	47.2 Å²	47.2	8%	0.078	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.4	-177.9	-61.8	-96.3	0	0	0	113	V44 W63 I74 T75 Q76 M187 P188	V44-Y78 HydrophobicContact CB-CE1 4.46Å; V44-Y78 HydrophobicContact CB-CE2 4.33Å; V44-Y78 HydrophobicContact CG1-CD1 4.45Å; V44-Y78 HydrophobicContact CG1-CE1 3.93Å; V44-Y78 HydrophobicContact CG1-CE2 4.43Å; V44-Y78 HydrophobicContact CG2-CD2 4.3Å; V44-Y78 HydrophobicContact CG2-CE2 3.68Å; W63-Y78 AromaticContact CD1-CD1 3.37Å; W63-Y78 AromaticContact CD1-CE1 3.3Å; W63-Y78 HydrophobicContact CD2-CD1 4.44Å; W63-Y78 AromaticContact CG-CD1 3.88Å; W63-Y78 HydrophobicContact CG-CD1 3.88Å; W63-Y78 HydrophobicContact CG-CE1 4.24Å; W63-Y78 AromaticContact NE1-CD1 3.63Å; W63-Y78 AromaticContact NE1-CE1 3.49Å; I74-Y78 HydrophobicContact CG2-CE2 4.14Å; I74-Y78 VanDerWaalsContact O-CD2 3.25Å; I74-Y78 WeakPolarHBondContact O-CD2 3.4Å; I74-Y78 VanDerWaalsContact O-CE2 3.23Å; I74-Y78 WeakPolarHBondContact O-CE2 3.31Å; T75-Y78 WeakPolarHBondContact O-CB 3.28Å; T75-Y78 PolarHBondContact O-N 3.41Å; Q76-Y78 PolarHBondContact O-N 3.38Å; Q76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-M187 HydrophobicContact CD1-CE 3.91Å; Y78-M187 HydrophobicContact CD1-SD 4.23Å; Y78-M187 HydrophobicContact CG-CE 4.39Å; Y78-M187 VanDerWaalsContact O-CE 3.29Å; Y78-M187 WeakPolarHBondContact O-CE 3.28Å; Y78-M187 VanDerWaalsContact O-SD 3.33Å; Y78-P188 HydrophobicContact CE1-CB 4.27Å; Y78-P188 WeakPolarHBondContact CE1-O 3.47Å; Y78-P188 PolarHBondContact OH-O 3.34Å
79	Y	87.4	Confident	85	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-36.1	-174.5	-67.6	5.5	0	0	0	112.2	I15 T75 Q76 S81 A82 L85 W103 E106	I15-Y79 HydrophobicContact CG2-CE1 3.62Å; T75-Y79 HydrophobicContact CG2-CE1 3.5Å; T75-Y79 WeakPolarHBondContact O-CD1 3.37Å; T75-Y79 WeakPolarHBondContact O-CE1 3.32Å; Q76-Y79 PolarHBondContact O-N 2.95Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 3.5Å; Y79-A82 PolarHBondContact O-N 2.84Å; Y79-L85 HydrophobicContact CD1-CD2 4.33Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.09Å; Y79-E106 HydrophobicContact CE2-CB 3.86Å; Y79-E106 PolarHBondContact OH-OE2 2.91Å
80	R	86.9	Confident	86.4	Confident	205 Å²	205	39.9 Å²	39.9	77%	0.774	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.9	-170.5	-175.5	178.6	178.3	124.2	1.4	113.8
81	S	87.4	Confident	87.9	Confident	25 Å²	25	31.2 Å²	31.2	18%	0.175	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	12.2	-179	79.5	0	0	0	0	113.6	K11 Y79 N83 M187	K11-S81 VanDerWaalsContact CD-O 3.23Å; K11-S81 WeakPolarHBondContact CD-O 3.44Å; K11-S81 PolarHBondContact NZ-OG 3.48Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 3.5Å; S81-N83 PolarHBondContact O-N 3.01Å; S81-M187 WeakPolarHBondContact OG-CG 3.1Å; S81-M187 PolarHBondContact OG-SD 2.81Å
82	A	94.3	Very high	89.1	Confident	6 Å²	6	30.1 Å²	30.1	5%	0.05	15%	0.154	C	C	.	.			trans	-68	131.6	171.6	0	0	0	0	0	109.6	V13 Y79 L85 V115	V13-A82 HydrophobicContact CG2-CB 3.83Å; Y79-A82 PolarHBondContact O-N 2.84Å; A82-L85 HydrophobicContact CB-CD2 3.76Å; A82-L85 HydrophobicContact CB-CG 4.45Å; A82-V115 HydrophobicContact CB-CG2 4.26Å; A82-V115 WeakPolarHBondContact O-CG2 3.47Å
83	N	96.1	Very high	90.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	16%	0.16	C	C	.	.	S	Bend	trans	-79.4	-32.3	167	-57.2	111.3	0	0	0	110.3	F10 K11 S81 V116 L170	F10-N83 WeakPolarHBondContact CA-OD1 3.47Å; F10-N83 HydrophobicContact CB-CB 4.46Å; F10-N83 HydrophobicContact CD1-CB 4.17Å; K11-N83 PolarHBondContact N-OD1 2.84Å; K11-N83 PolarHBondContact O-N 2.79Å; S81-N83 PolarHBondContact O-N 3.01Å; N83-V116 PolarHBondContact O-N 3.4Å; N83-L170 HydrophobicContact CB-CD1 4.12Å; N83-L170 HydrophobicContact CB-CD2 4.01Å; N83-L170 WeakPolarHBondContact O-CD2 3.47Å
84	A	97.1	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.1	173.8	0	0	0	0	0	114.4	K11 I12 V13 V116 L166 L170	K11-A84 PolarHBondContact O-N 2.86Å; K11-A84 VanDerWaalsContact O-N 3.1Å; I12-A84 WeakPolarHBondContact CA-O 3.44Å; I12-A84 HydrophobicContact CG1-CB 4.44Å; V13-A84 PolarHBondContact N-O 2.94Å; A84-V116 CarbonylContact C-O 3.46Å; A84-V116 WeakPolarHBondContact CA-O 3.38Å; A84-V116 HydrophobicContact CB-CB 4.26Å; A84-V116 VanDerWaalsContact CB-O 3.32Å; A84-V116 WeakPolarHBondContact CB-O 3.33Å; A84-L166 HydrophobicContact CB-CD1 3.79Å; A84-L166 HydrophobicContact CB-CD2 3.72Å; A84-L166 HydrophobicContact CB-CG 3.9Å; A84-L170 HydrophobicContact CB-CD1 3.98Å; A84-L170 HydrophobicContact CB-CD2 4.31Å
85	L	97	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.3	173.1	-61	178	0	0	0	110.4	V13 I15 Y79 A82 I107 A111 V115 V116 T117 I118	V13-L85 HydrophobicContact CB-CD2 3.69Å; V13-L85 HydrophobicContact CG1-CD2 4.49Å; V13-L85 HydrophobicContact CG2-CD2 4.24Å; V13-L85 WeakPolarHBondContact O-CA 3.09Å; I15-L85 HydrophobicContact CD1-CD1 4.49Å; Y79-L85 HydrophobicContact CD1-CD2 4.33Å; A82-L85 HydrophobicContact CB-CD2 3.76Å; A82-L85 HydrophobicContact CB-CG 4.45Å; L85-I107 HydrophobicContact CD1-CB 4.21Å; L85-I107 HydrophobicContact CD1-CD1 3.98Å; L85-I107 HydrophobicContact CD1-CG1 3.68Å; L85-I107 HydrophobicContact CD1-CG2 3.65Å; L85-A111 HydrophobicContact CD1-CB 4.17Å; L85-V115 HydrophobicContact CD1-CG1 4.31Å; L85-V115 HydrophobicContact CD1-CG2 4.13Å; L85-V115 HydrophobicContact CG-CG2 3.72Å; L85-V116 PolarHBondContact N-O 2.88Å; L85-T117 HydrophobicContact CB-CG2 4.33Å; L85-T117 WeakPolarHBondContact O-CA 3.17Å; L85-I118 PolarHBondContact O-N 2.86Å
86	I	98.1	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	100.9	172.9	-58.1	178.1	0	0	0	107.7	I12 V13 L14 I15 T88 I118 V120 L162 F163 L166	I12-I86 HydrophobicContact CG2-CD1 3.55Å; I12-I86 HydrophobicContact CG2-CG1 3.81Å; V13-I86 PolarHBondContact O-N 3.49Å; L14-I86 WeakPolarHBondContact CA-O 3.17Å; L14-I86 HydrophobicContact CD1-CD1 4.31Å; L14-I86 HydrophobicContact CG-CB 4.06Å; L14-I86 HydrophobicContact CG-CD1 4.2Å; L14-I86 HydrophobicContact CG-CG2 4.39Å; I15-I86 PolarHBondContact N-O 3.37Å; I86-T88 PolarHBondContact O-N 2.96Å; I86-I118 HydrophobicContact CB-CG2 4.19Å; I86-I118 HydrophobicContact CG1-CG2 3.76Å; I86-I118 HydrophobicContact CG2-CG2 4.3Å; I86-V120 HydrophobicContact CG2-CB 4.24Å; I86-V120 HydrophobicContact CG2-CG2 3.59Å; I86-L162 HydrophobicContact CD1-CD2 4.29Å; I86-L162 HydrophobicContact CD1-CG 4.34Å; I86-L162 HydrophobicContact CG2-CD2 4.23Å; I86-F163 HydrophobicContact CD1-CD1 4.17Å; I86-F163 HydrophobicContact CD1-CE1 3.65Å; I86-F163 HydrophobicContact CD1-CZ 4.11Å; I86-L166 HydrophobicContact CD1-CD2 3.99Å; I86-L166 HydrophobicContact CG1-CD2 3.82Å
87	L	97.8	Very high	94.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.4	177.6	178.8	57.6	0	0	0	109.6	I15 L100 W103 L104 I118 L119 V120 M146	I15-L87 HydrophobicContact CD1-CB 4.45Å; I15-L87 HydrophobicContact CD1-CD1 4.04Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.85Å; L87-L100 HydrophobicContact CD1-CD2 3.81Å; L87-L100 HydrophobicContact CD2-CD2 3.69Å; L87-L100 HydrophobicContact CG-CD2 3.56Å; L87-W103 HydrophobicContact CD1-CB 3.58Å; L87-W103 HydrophobicContact CD1-CD2 4.49Å; L87-W103 HydrophobicContact CD1-CG 3.81Å; L87-W103 HydrophobicContact CD2-CB 4.4Å; L87-L104 HydrophobicContact CD2-CD2 4.05Å; L87-L104 HydrophobicContact CD2-CG 4.4Å; L87-I118 PolarHBondContact N-O 3.19Å; L87-L119 HydrophobicContact CD2-CD1 4.32Å; L87-L119 HydrophobicContact CG-CD1 4.17Å; L87-L119 CarbonylContact O-C 3.57Å; L87-L119 WeakPolarHBondContact O-CA 3.49Å; L87-V120 PolarHBondContact O-N 3.49Å; L87-M146 HydrophobicContact CD2-SD 4.35Å
88	T	98.5	Very high	95.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.4	-171.9	-48.4	0	0	0	0	111.8	I15 V20 L25 I86 V120 N122	I15-T88 PolarHBondContact O-N 3.06Å; V20-T88 HydrophobicContact CB-CG2 4.27Å; V20-T88 HydrophobicContact CG2-CG2 3.84Å; L25-T88 HydrophobicContact CD1-CG2 3.99Å; I86-T88 PolarHBondContact O-N 2.96Å; T88-V120 WeakPolarHBondContact CA-O 3.45Å; T88-V120 HydrophobicContact CG2-CB 4.45Å; T88-V120 HydrophobicContact CG2-CG1 4.39Å; T88-N122 HydrophobicContact CG2-CB 3.94Å
89	Y	98.7	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	167.5	165.8	76.3	-81.3	0	0	0	110.8	I91 F97 L100 L119 V120 G121 N122 V132 A137 Y148	Y89-I91 HydrophobicContact CE2-CG2 3.96Å; Y89-F97 HydrophobicContact CD1-CD2 4.17Å; Y89-F97 HydrophobicContact CD2-CB 4.12Å; Y89-F97 AromaticContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CG 4.45Å; Y89-F97 HydrophobicContact CE1-CD2 4.17Å; Y89-F97 HydrophobicContact CE1-CE2 4.4Å; Y89-F97 AromaticContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CD2 3.82Å; Y89-F97 AromaticContact CG-CD2 3.99Å; Y89-F97 HydrophobicContact CG-CD2 3.99Å; Y89-L100 HydrophobicContact CD1-CD1 4.34Å; Y89-L119 HydrophobicContact CD1-CD1 3.79Å; Y89-L119 HydrophobicContact CD1-CG 4.21Å; Y89-L119 HydrophobicContact CE1-CD1 4.12Å; Y89-L119 HydrophobicContact CE1-CD2 4.26Å; Y89-L119 HydrophobicContact CE1-CG 4.03Å; Y89-V120 VanDerWaalsContact CD1-O 3.28Å; Y89-V120 WeakPolarHBondContact CD1-O 3.27Å; Y89-V120 PolarHBondContact N-O 3.05Å; Y89-G121 VanDerWaalsContact CZ-CA 3.42Å; Y89-N122 PolarHBondContact O-N 2.91Å; Y89-V132 HydrophobicContact CD2-CG2 4.35Å; Y89-V132 HydrophobicContact CE2-CB 3.88Å; Y89-V132 HydrophobicContact CE2-CG1 3.72Å; Y89-V132 HydrophobicContact CE2-CG2 4.12Å; Y89-A137 HydrophobicContact CE1-CB 4.19Å; Y89-A137 WeakPolarHBondContact OH-CB 3.48Å; Y89-Y148 HydrophobicContact CE1-CE2 4.19Å; Y89-Y148 PolarHBondContact OH-OH 2.57Å; Y89-Y148 VanDerWaalsContact OH-OH 3.09Å
90	D	98.5	Very high	96.5	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.059	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.6	176.4	177.1	-0.3	0	0	0	109.7	V20 T92 C93 S96 K123	V20-D90 HydrophobicContact CB-CB 4.36Å; V20-D90 HydrophobicContact CG1-CB 4.28Å; D90-T92 PolarHBondContact O-N 3.12Å; D90-T92 VanDerWaalsContact O-N 3.14Å; D90-T92 PolarHBondContact OD1-N 3.29Å; D90-T92 PolarHBondContact OD1-OG1 3.34Å; D90-T92 VanDerWaalsContact OD1-OG1 3.09Å; D90-T92 PolarHBondContact OD2-OG1 2.85Å; D90-C93 HydrophobicContact CB-CB 3.98Å; D90-C93 PolarHBondContact O-N 3.24Å; D90-C93 VanDerWaalsContact O-N 3.08Å; D90-S96 PolarHBondContact N-OG 3.11Å; D90-S96 PolarHBondContact O-OG 2.85Å; D90-K123 WeakPolarHBondContact OD1-CD 3.45Å; D90-K123 WeakPolarHBondContact OD2-CD 3.43Å; D90-K123 VanDerWaalsContact OD2-CE 3.23Å; D90-K123 WeakPolarHBondContact OD2-CE 3.44Å; D90-K123 IonicContact OD2-NZ 2.91Å; D90-K123 PolarHBondContact OD2-NZ 2.73Å
91	I	98.7	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19	-179.1	67.5	149	0	0	0	113.3	Y89 N122 I124 R130 E131 V132	Y89-I91 HydrophobicContact CE2-CG2 3.96Å; I91-N122 WeakPolarHBondContact CG1-O 3.22Å; I91-N122 PolarHBondContact N-O 3.24Å; I91-N122 VanDerWaalsContact N-O 3.08Å; I91-I124 HydrophobicContact CD1-CB 4.48Å; I91-I124 HydrophobicContact CD1-CG2 4.26Å; I91-R130 HydrophobicContact CD1-CB 4.31Å; I91-R130 HydrophobicContact CD1-CG 4.38Å; I91-E131 PolarHBondContact O-N 2.85Å; I91-V132 PolarHBondContact O-N 2.8Å; I91-V132 VanDerWaalsContact O-N 3.08Å
92	T	98.6	Very high	97.2	Very high	26 Å²	26	28 Å²	28	16%	0.16	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	13.9	178.4	78.6	0	0	0	0	112.7	D90 L126 K129	D90-T92 PolarHBondContact O-N 3.12Å; D90-T92 VanDerWaalsContact O-N 3.14Å; D90-T92 PolarHBondContact OD1-N 3.29Å; D90-T92 PolarHBondContact OD1-OG1 3.34Å; D90-T92 VanDerWaalsContact OD1-OG1 3.09Å; D90-T92 PolarHBondContact OD2-OG1 2.85Å; T92-L126 HydrophobicContact CG2-CB 3.6Å; T92-L126 HydrophobicContact CG2-CD1 4.21Å; T92-K129 WeakPolarHBondContact CA-O 3.34Å; T92-K129 VanDerWaalsContact CB-O 3.31Å; T92-K129 WeakPolarHBondContact CB-O 3.16Å; T92-K129 HydrophobicContact CG2-CB 3.88Å
93	C	98.1	Very high	97.1	Very high	43 Å²	43	27.7 Å²	27.7	29%	0.291	14%	0.142	S	C	.	.			trans	-141.9	97.1	-179.9	-180	0	0	0	0	110.3	D90 D95 S96 E131	D90-C93 HydrophobicContact CB-CB 3.98Å; D90-C93 PolarHBondContact O-N 3.24Å; D90-C93 VanDerWaalsContact O-N 3.08Å; C93-D95 PolarHBondContact O-N 3.36Å; C93-S96 WeakPolarHBondContact O-CB 3.32Å; C93-S96 PolarHBondContact O-N 3.38Å; C93-S96 PolarHBondContact O-OG 2.99Å; C93-E131 WeakPolarHBondContact CA-OE2 3.33Å
94	E	97.8	Very high	97	Very high	24 Å²	24	27.4 Å²	27.4	11%	0.112	14%	0.14	C	C	.	.	H	α-helix	trans	-55.6	-37.4	178.8	173.6	61.3	-162.7	0	0	112.4	S96 F97 R98 E131 R136	E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.49Å; E94-F97 WeakPolarHBondContact O-CB 3.42Å; E94-F97 PolarHBondContact O-N 2.91Å; E94-F97 VanDerWaalsContact O-N 3.1Å; E94-R98 HydrophobicContact CG-CG 4.35Å; E94-R98 WeakPolarHBondContact O-CG 3.26Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE1-CZ 3.66Å; E94-R98 IonicContact OE1-NE 3.61Å; E94-R98 PolarHBondContact OE1-NE 3.23Å; E94-R98 IonicContact OE1-NH2 3.9Å; E94-E131 HydrophobicContact CB-CB 4.22Å; E94-E131 WeakPolarHBondContact CB-OE2 3.4Å; E94-E131 PolarHBondContact N-OE2 3.5Å; E94-R136 IonicContact OE1-CZ 3.83Å; E94-R136 VanDerWaalsContact OE1-CZ 3.28Å; E94-R136 IonicContact OE1-NH1 2.74Å; E94-R136 PolarHBondContact OE1-NH1 2.89Å; E94-R136 IonicContact OE1-NH2 2.87Å; E94-R136 PolarHBondContact OE1-NH2 3.13Å; E94-R136 IonicContact OE2-CZ 3.35Å; E94-R136 IonicContact OE2-NH1 3.24Å; E94-R136 PolarHBondContact OE2-NH1 3.1Å; E94-R136 IonicContact OE2-NH2 3.07Å
95	D	97.4	Very high	96.8	Very high	99 Å²	99	34 Å²	34	53%	0.529	17%	0.169	S	C	.	.	H	α-helix	trans	-63.7	-34.6	179.1	-70.7	-25.6	0	0	0	112.3	C93 F97 R98 C99	C93-D95 PolarHBondContact O-N 3.36Å; D95-F97 VanDerWaalsContact C-N 3.26Å; D95-F97 PolarHBondContact O-N 3.42Å; D95-R98 PolarHBondContact O-N 3.04Å; D95-R98 IonicContact OD1-NH1 2.7Å; D95-C99 PolarHBondContact O-N 3.18Å; D95-C99 VanDerWaalsContact O-N 3.14Å; D95-C99 PolarHBondContact O-SG 3.39Å; D95-C99 VanDerWaalsContact O-SG 3.38Å
96	S	97.8	Very high	96.4	Very high	5 Å²	5	35 Å²	35	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-33.7	175.1	77.7	0	0	0	0	112.2	D90 C93 E94	D90-S96 PolarHBondContact N-OG 3.11Å; D90-S96 PolarHBondContact O-OG 2.85Å; C93-S96 WeakPolarHBondContact O-CB 3.32Å; C93-S96 PolarHBondContact O-N 3.38Å; C93-S96 PolarHBondContact O-OG 2.99Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.49Å
97	F	98.3	Very high	96.1	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-76.2	-38.8	175.6	-172.4	-92.8	0	0	0	111.9	Y89 E94 D95 C99 L100 V132 R136 A137 F140	Y89-F97 HydrophobicContact CD1-CD2 4.17Å; Y89-F97 HydrophobicContact CD2-CB 4.12Å; Y89-F97 AromaticContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CD2 3.79Å; Y89-F97 HydrophobicContact CD2-CG 4.45Å; Y89-F97 HydrophobicContact CE1-CD2 4.17Å; Y89-F97 HydrophobicContact CE1-CE2 4.4Å; Y89-F97 AromaticContact CE2-CD2 3.82Å; Y89-F97 HydrophobicContact CE2-CD2 3.82Å; Y89-F97 AromaticContact CG-CD2 3.99Å; Y89-F97 HydrophobicContact CG-CD2 3.99Å; E94-F97 WeakPolarHBondContact O-CB 3.42Å; E94-F97 PolarHBondContact O-N 2.91Å; E94-F97 VanDerWaalsContact O-N 3.1Å; D95-F97 VanDerWaalsContact C-N 3.26Å; D95-F97 PolarHBondContact O-N 3.42Å; F97-C99 PolarHBondContact O-N 2.91Å; F97-L100 HydrophobicContact CB-CD1 4.49Å; F97-L100 HydrophobicContact CD2-CD1 3.35Å; F97-L100 HydrophobicContact CD2-CG 4.5Å; F97-L100 HydrophobicContact CE2-CD1 3.53Å; F97-L100 HydrophobicContact CG-CD1 3.91Å; F97-L100 HydrophobicContact CZ-CD1 4.22Å; F97-L100 VanDerWaalsContact O-CB 3.31Å; F97-L100 WeakPolarHBondContact O-CB 3.2Å; F97-L100 WeakPolarHBondContact O-CD1 3.41Å; F97-L100 WeakPolarHBondContact O-CG 3.49Å; F97-L100 PolarHBondContact O-N 3.29Å; F97-L100 VanDerWaalsContact O-N 3.09Å; F97-V132 HydrophobicContact CB-CG1 4.38Å; F97-V132 HydrophobicContact CB-CG2 3.74Å; F97-V132 HydrophobicContact CD1-CG1 4.36Å; F97-V132 HydrophobicContact CD2-CG1 3.65Å; F97-V132 HydrophobicContact CD2-CG2 4.49Å; F97-V132 HydrophobicContact CE2-CG1 3.97Å; F97-V132 HydrophobicContact CG-CG1 3.87Å; F97-V132 HydrophobicContact CG-CG2 4.14Å; F97-V132 HydrophobicContact CZ-CG1 4.46Å; F97-R136 HydrophobicContact CE1-CG 4.14Å; F97-R136 HydrophobicContact CZ-CG 4.2Å; F97-A137 HydrophobicContact CE2-CB 3.7Å; F97-A137 HydrophobicContact CZ-CB 4.32Å; F97-F140 HydrophobicContact CZ-CB 3.93Å; F97-F140 HydrophobicContact CZ-CG 4.11Å
98	R	97.6	Very high	95.8	Very high	155 Å²	155	42.3 Å²	42.3	59%	0.585	21%	0.208	S	C	*	.	H	α-helix	trans	-63.5	-25.3	176.4	-72.3	175.4	-179.8	174.8	-2.8	113.6	E94 D95 L100 P101	E94-R98 HydrophobicContact CG-CG 4.35Å; E94-R98 WeakPolarHBondContact O-CG 3.26Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE1-CZ 3.66Å; E94-R98 IonicContact OE1-NE 3.61Å; E94-R98 PolarHBondContact OE1-NE 3.23Å; E94-R98 IonicContact OE1-NH2 3.9Å; D95-R98 PolarHBondContact O-N 3.04Å; D95-R98 IonicContact OD1-NH1 2.7Å; R98-L100 VanDerWaalsContact C-N 3.34Å; R98-P101 VanDerWaalsContact O-CD 3.25Å; R98-P101 WeakPolarHBondContact O-CD 3.29Å
99	C	95.8	Very high	95.5	Very high	28 Å²	28	48.6 Å²	48.6	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.8	175	-70.3	0	0	0	0	114.1	N17 D95 F97 P101 E102 W103	N17-C99 PolarHBondContact ND2-SG 2.91Å; N17-C99 WeakPolarHBondContact OD1-CB 3.41Å; D95-C99 PolarHBondContact O-N 3.18Å; D95-C99 VanDerWaalsContact O-N 3.14Å; D95-C99 PolarHBondContact O-SG 3.39Å; D95-C99 VanDerWaalsContact O-SG 3.38Å; F97-C99 PolarHBondContact O-N 2.91Å; C99-P101 VanDerWaalsContact C-CD 3.43Å; C99-E102 WeakPolarHBondContact O-CB 3.37Å; C99-E102 PolarHBondContact O-N 3.13Å; C99-W103 PolarHBondContact O-N 3.08Å
100	L	96.3	Very high	95.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-53.8	-41.3	-178.1	-66.2	172.9	0	0	0	114	L87 Y89 F97 R98 E102 W103 L104 L119 F140	L87-L100 HydrophobicContact CD1-CD2 3.81Å; L87-L100 HydrophobicContact CD2-CD2 3.69Å; L87-L100 HydrophobicContact CG-CD2 3.56Å; Y89-L100 HydrophobicContact CD1-CD1 4.34Å; F97-L100 HydrophobicContact CB-CD1 4.49Å; F97-L100 HydrophobicContact CD2-CD1 3.35Å; F97-L100 HydrophobicContact CD2-CG 4.5Å; F97-L100 HydrophobicContact CE2-CD1 3.53Å; F97-L100 HydrophobicContact CG-CD1 3.91Å; F97-L100 HydrophobicContact CZ-CD1 4.22Å; F97-L100 VanDerWaalsContact O-CB 3.31Å; F97-L100 WeakPolarHBondContact O-CB 3.2Å; F97-L100 WeakPolarHBondContact O-CD1 3.41Å; F97-L100 WeakPolarHBondContact O-CG 3.49Å; F97-L100 PolarHBondContact O-N 3.29Å; F97-L100 VanDerWaalsContact O-N 3.09Å; R98-L100 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.03Å; L100-W103 PolarHBondContact O-N 2.87Å; L100-W103 VanDerWaalsContact O-N 3.13Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.07Å; L100-L119 HydrophobicContact CD1-CD1 3.73Å; L100-L119 HydrophobicContact CD2-CD1 3.8Å; L100-L119 HydrophobicContact CG-CD1 4.44Å; L100-F140 HydrophobicContact CB-CE1 3.84Å; L100-F140 HydrophobicContact CB-CZ 3.68Å; L100-F140 HydrophobicContact CD1-CD1 4.18Å; L100-F140 HydrophobicContact CD1-CE1 3.85Å; L100-F140 HydrophobicContact CD1-CZ 4.37Å; L100-F140 HydrophobicContact CG-CE1 4.46Å
101	P	95.8	Very high	94.7	Very high	61 Å²	61	52.5 Å²	52.5	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-27.9	176.8	-24.4	36.1	0	0	0	114.3	R98 C99 K105 F140	R98-P101 VanDerWaalsContact O-CD 3.25Å; R98-P101 WeakPolarHBondContact O-CD 3.29Å; C99-P101 VanDerWaalsContact C-CD 3.43Å; P101-K105 WeakPolarHBondContact O-CG 3.34Å; P101-K105 PolarHBondContact O-N 2.7Å; P101-F140 HydrophobicContact CG-CE2 4.32Å; P101-F140 HydrophobicContact CG-CZ 4.5Å
102	E	92.7	Very high	94.2	Very high	93 Å²	93	56 Å²	56	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-71.9	-42.8	174.3	-62.9	-177.7	176.8	0	0	111.3	R72 C99 L100 L104 K105 E106	R72-E102 IonicContact CZ-OE2 3.32Å; R72-E102 IonicContact NH1-OE2 2.81Å; R72-E102 PolarHBondContact NH1-OE2 2.81Å; R72-E102 IonicContact NH2-OE2 3.5Å; R72-E102 PolarHBondContact NH2-OE2 2.86Å; C99-E102 WeakPolarHBondContact O-CB 3.37Å; C99-E102 PolarHBondContact O-N 3.13Å; L100-E102 PolarHBondContact O-N 3.03Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.12Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-E106 PolarHBondContact O-N 3.09Å
103	W	93.3	Very high	93.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-41.9	175	-70.7	104.5	0	0	0	111.2	I15 G16 N17 R72 Y79 L87 C99 L100 K105 E106 I107	I15-W103 HydrophobicContact CB-CE3 4.07Å; I15-W103 HydrophobicContact CB-CZ3 4.1Å; I15-W103 HydrophobicContact CD1-CE3 4.36Å; G16-W103 WeakPolarHBondContact O-CZ2 3.33Å; N17-W103 PolarHBondContact OD1-NE1 2.98Å; R72-W103 HydrophobicContact CG-CH2 4.2Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.09Å; L87-W103 HydrophobicContact CD1-CB 3.58Å; L87-W103 HydrophobicContact CD1-CD2 4.49Å; L87-W103 HydrophobicContact CD1-CG 3.81Å; L87-W103 HydrophobicContact CD2-CB 4.4Å; C99-W103 PolarHBondContact O-N 3.08Å; L100-W103 PolarHBondContact O-N 2.87Å; L100-W103 VanDerWaalsContact O-N 3.13Å; W103-K105 PolarHBondContact O-N 3.28Å; W103-E106 WeakPolarHBondContact O-CB 3.31Å; W103-E106 PolarHBondContact O-N 3.34Å; W103-E106 VanDerWaalsContact O-N 3.1Å; W103-I107 WeakPolarHBondContact O-CG1 3.33Å; W103-I107 PolarHBondContact O-N 3.03Å
104	L	92.9	Very high	92.9	Very high	19 Å²	19	64.4 Å²	64.4	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-43.2	176.2	-70.2	177.4	0	0	0	112.6	L87 L100 E102 E106 I107 E108 F140 Q144 M146	L87-L104 HydrophobicContact CD2-CD2 4.05Å; L87-L104 HydrophobicContact CD2-CG 4.4Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.07Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.12Å; L104-E106 PolarHBondContact O-N 3.19Å; L104-I107 HydrophobicContact CD2-CD1 4.19Å; L104-I107 WeakPolarHBondContact O-CB 3.23Å; L104-I107 PolarHBondContact O-N 3.16Å; L104-I107 VanDerWaalsContact O-N 3.09Å; L104-E108 WeakPolarHBondContact O-CG 3.45Å; L104-E108 PolarHBondContact O-N 3.18Å; L104-F140 HydrophobicContact CD1-CE1 3.95Å; L104-F140 HydrophobicContact CD1-CE2 4.38Å; L104-F140 HydrophobicContact CD1-CZ 3.46Å; L104-F140 VanDerWaalsContact CD1-CZ 3.46Å; L104-F140 HydrophobicContact CG-CZ 4.49Å; L104-Q144 HydrophobicContact CD1-CB 4.39Å; L104-Q144 HydrophobicContact CD1-CG 3.7Å; L104-M146 HydrophobicContact CD2-CE 4.14Å; L104-M146 HydrophobicContact CD2-SD 3.81Å
105	K	92.5	Very high	92.7	Very high	139 Å²	139	64.3 Å²	64.3	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-38.3	174.8	-72.3	173.3	-177.8	178.7	0	112.3	P101 E102 W103 Q109	P101-K105 WeakPolarHBondContact O-CG 3.34Å; P101-K105 PolarHBondContact O-N 2.7Å; E102-K105 PolarHBondContact O-N 2.94Å; W103-K105 PolarHBondContact O-N 3.28Å; K105-Q109 VanDerWaalsContact O-CB 3.28Å; K105-Q109 WeakPolarHBondContact O-CB 3.11Å; K105-Q109 PolarHBondContact O-N 2.82Å
106	E	89.7	Confident	92.6	Very high	19 Å²	19	60.4 Å²	60.4	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-39.3	175.9	-62.9	179.4	-160.4	0	0	111.7	R72 Y79 E102 W103 L104 Q109 Y110	R72-E106 VanDerWaalsContact CD-OE1 3.28Å; R72-E106 WeakPolarHBondContact CD-OE1 3.3Å; R72-E106 IonicContact CZ-OE1 3.87Å; R72-E106 IonicContact NE-OE1 3.59Å; R72-E106 IonicContact NH1-OE1 2.71Å; R72-E106 PolarHBondContact NH1-OE1 3.45Å; Y79-E106 HydrophobicContact CE2-CB 3.86Å; Y79-E106 PolarHBondContact OH-OE2 2.91Å; E102-E106 PolarHBondContact O-N 3.09Å; W103-E106 WeakPolarHBondContact O-CB 3.31Å; W103-E106 PolarHBondContact O-N 3.34Å; W103-E106 VanDerWaalsContact O-N 3.1Å; L104-E106 PolarHBondContact O-N 3.19Å; E106-Q109 PolarHBondContact O-N 3.21Å; E106-Y110 HydrophobicContact CB-CD2 4.35Å; E106-Y110 WeakPolarHBondContact O-CD2 3.43Å; E106-Y110 PolarHBondContact O-N 2.99Å
107	I	91.6	Very high	92.5	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-50.9	174.9	-61.8	173.4	0	0	0	110	I15 L85 W103 L104 Q109 Y110 A111 V115 T117	I15-I107 HydrophobicContact CD1-CD1 3.63Å; I15-I107 HydrophobicContact CD1-CG1 3.81Å; L85-I107 HydrophobicContact CD1-CB 4.21Å; L85-I107 HydrophobicContact CD1-CD1 3.98Å; L85-I107 HydrophobicContact CD1-CG1 3.68Å; L85-I107 HydrophobicContact CD1-CG2 3.65Å; W103-I107 WeakPolarHBondContact O-CG1 3.33Å; W103-I107 PolarHBondContact O-N 3.03Å; L104-I107 HydrophobicContact CD2-CD1 4.19Å; L104-I107 WeakPolarHBondContact O-CB 3.23Å; L104-I107 PolarHBondContact O-N 3.16Å; L104-I107 VanDerWaalsContact O-N 3.09Å; I107-Q109 PolarHBondContact O-N 3.24Å; I107-Y110 PolarHBondContact O-N 2.58Å; I107-A111 HydrophobicContact CG2-CB 3.92Å; I107-A111 WeakPolarHBondContact O-CB 3.15Å; I107-A111 PolarHBondContact O-N 3.21Å; I107-V115 HydrophobicContact CG2-CG1 4.3Å; I107-T117 HydrophobicContact CD1-CG2 4.14Å
108	E	91.6	Very high	92.5	Very high	140 Å²	140	61.1 Å²	61.1	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-58.4	-34.1	178.4	-71.9	173.3	-176.2	0	0	112.6	L104	L104-E108 WeakPolarHBondContact O-CG 3.45Å; L104-E108 PolarHBondContact O-N 3.18Å
109	Q	91.4	Very high	92.5	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-81	-35.4	-177.1	-175.1	174.8	-10.1	0	0	113.6	K105 E106 I107	K105-Q109 VanDerWaalsContact O-CB 3.28Å; K105-Q109 WeakPolarHBondContact O-CB 3.11Å; K105-Q109 PolarHBondContact O-N 2.82Å; E106-Q109 PolarHBondContact O-N 3.21Å; I107-Q109 PolarHBondContact O-N 3.24Å
110	Y	90.6	Very high	92.7	Very high	76 Å²	76	52.4 Å²	52.4	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-121.5	-18.2	-167.1	-57.4	-72.2	0	0	0	115.2	Q76 E106 I107	Q76-Y110 HydrophobicContact CB-CD1 4.45Å; Q76-Y110 HydrophobicContact CB-CD2 4.21Å; Q76-Y110 HydrophobicContact CB-CE2 4.39Å; Q76-Y110 HydrophobicContact CB-CG 4.26Å; Q76-Y110 VanDerWaalsContact CD-CZ 3.42Å; Q76-Y110 HydrophobicContact CG-CD2 3.74Å; Q76-Y110 HydrophobicContact CG-CE2 3.63Å; Q76-Y110 HydrophobicContact CG-CG 4.29Å; Q76-Y110 PolarHBondContact NE2-OH 3.22Å; Q76-Y110 PolarHBondContact OE1-OH 3.28Å; E106-Y110 HydrophobicContact CB-CD2 4.35Å; E106-Y110 WeakPolarHBondContact O-CD2 3.43Å; E106-Y110 PolarHBondContact O-N 2.99Å; I107-Y110 PolarHBondContact O-N 2.58Å
111	A	90.7	Very high	92.8	Very high	17 Å²	17	52.3 Å²	52.3	14%	0.14	26%	0.261	C	S	.	.	S	Bend	trans	-86.3	163	179.3	0	0	0	0	0	112.2	L85 I107 V115	L85-A111 HydrophobicContact CD1-CB 4.17Å; I107-A111 HydrophobicContact CG2-CB 3.92Å; I107-A111 WeakPolarHBondContact O-CB 3.15Å; I107-A111 PolarHBondContact O-N 3.21Å; A111-V115 HydrophobicContact CB-CB 4.4Å; A111-V115 HydrophobicContact CB-CG1 3.8Å
112	N	87	Confident	92.9	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	24%	0.243	S	C	.	.			trans	-74.1	145.6	169.9	-176.6	-3.6	0	0	0	109.9	Q114 V115	N112-Q114 PolarHBondContact ND2-OE1 2.79Å; N112-Q114 PolarHBondContact O-N 2.9Å; N112-Q114 PolarHBondContact OD1-N 2.85Å; N112-V115 WeakPolarHBondContact O-CB 3.36Å; N112-V115 WeakPolarHBondContact O-CG1 3.22Å; N112-V115 PolarHBondContact O-N 2.99Å
113	N	83.5	Confident	93.2	Very high	165 Å²	165	47.6 Å²	47.6	88%	0.882	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-18.5	175.3	-65.2	-19.2	0	0	0	114.2
114	Q	86.4	Confident	93.5	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	1.6	179.4	-66.1	168.2	-26.3	0	0	113.4	N112 V116 K178 L179	N112-Q114 PolarHBondContact ND2-OE1 2.79Å; N112-Q114 PolarHBondContact O-N 2.9Å; N112-Q114 PolarHBondContact OD1-N 2.85Å; Q114-V116 PolarHBondContact O-N 2.74Å; Q114-K178 WeakPolarHBondContact CG-O 3.25Å; Q114-K178 PolarHBondContact NE2-O 2.81Å; Q114-K178 PolarHBondContact OE1-O 3.43Å; Q114-K178 VanDerWaalsContact OE1-O 3.11Å; Q114-L179 HydrophobicContact CB-CD2 4.29Å
115	V	93.3	Very high	93.7	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.127	25%	0.248	C	C	.	.			trans	-67.4	125.7	-177.5	75.5	0	0	0	0	110.9	A82 L85 I107 A111 N112 T117	A82-V115 HydrophobicContact CB-CG2 4.26Å; A82-V115 WeakPolarHBondContact O-CG2 3.47Å; L85-V115 HydrophobicContact CD1-CG1 4.31Å; L85-V115 HydrophobicContact CD1-CG2 4.13Å; L85-V115 HydrophobicContact CG-CG2 3.72Å; I107-V115 HydrophobicContact CG2-CG1 4.3Å; A111-V115 HydrophobicContact CB-CB 4.4Å; A111-V115 HydrophobicContact CB-CG1 3.8Å; N112-V115 WeakPolarHBondContact O-CB 3.36Å; N112-V115 WeakPolarHBondContact O-CG1 3.22Å; N112-V115 PolarHBondContact O-N 2.99Å; V115-T117 PolarHBondContact O-N 3.36Å
116	V	95.4	Very high	94	Very high	18 Å²	18	46.7 Å²	46.7	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123	174.5	178.2	0	0	0	0	108.6	N83 A84 L85 Q114 L147 L166 E169 L170 E173	N83-V116 PolarHBondContact O-N 3.4Å; A84-V116 CarbonylContact C-O 3.46Å; A84-V116 WeakPolarHBondContact CA-O 3.38Å; A84-V116 HydrophobicContact CB-CB 4.26Å; A84-V116 VanDerWaalsContact CB-O 3.32Å; A84-V116 WeakPolarHBondContact CB-O 3.33Å; L85-V116 PolarHBondContact N-O 2.88Å; Q114-V116 PolarHBondContact O-N 2.74Å; V116-L147 HydrophobicContact CG1-CD1 4.2Å; V116-L166 HydrophobicContact CB-CD1 4.37Å; V116-L166 HydrophobicContact CG1-CD1 3.67Å; V116-E169 HydrophobicContact CG1-CG 4.11Å; V116-E169 HydrophobicContact CG2-CG 4.46Å; V116-L170 HydrophobicContact CB-CD2 3.99Å; V116-L170 HydrophobicContact CG2-CD2 3.65Å; V116-E173 HydrophobicContact CG2-CG 4.45Å
117	T	96.1	Very high	94.3	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.4	-179.6	-53.4	0	0	0	0	111	L85 I107 V115 M146 L147	L85-T117 HydrophobicContact CB-CG2 4.33Å; L85-T117 WeakPolarHBondContact O-CA 3.17Å; I107-T117 HydrophobicContact CD1-CG2 4.14Å; V115-T117 PolarHBondContact O-N 3.36Å; T117-M146 HydrophobicContact CG2-CG 3.99Å; T117-M146 HydrophobicContact CG2-SD 3.51Å; T117-M146 VanDerWaalsContact CG2-SD 3.51Å; T117-M146 WeakPolarHBondContact O-CA 3.38Å; T117-L147 PolarHBondContact O-N 3.05Å; T117-L147 VanDerWaalsContact O-N 3.08Å
118	I	98.2	Very high	94.6	Very high	8 Å²	8	56 Å²	56	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.6	174.2	-178.2	157.9	0	0	0	110.4	L85 I86 L87 V120 L147 L149 L162 L166	L85-I118 PolarHBondContact O-N 2.86Å; I86-I118 HydrophobicContact CB-CG2 4.19Å; I86-I118 HydrophobicContact CG1-CG2 3.76Å; I86-I118 HydrophobicContact CG2-CG2 4.3Å; L87-I118 PolarHBondContact N-O 3.19Å; I118-V120 HydrophobicContact CG1-CG2 4.14Å; I118-V120 HydrophobicContact CG2-CG2 4.49Å; I118-L147 WeakPolarHBondContact CA-O 3.36Å; I118-L147 HydrophobicContact CB-CB 3.91Å; I118-L147 HydrophobicContact CD1-CB 3.84Å; I118-L147 HydrophobicContact CG1-CB 3.77Å; I118-L149 HydrophobicContact CD1-CB 4.24Å; I118-L162 HydrophobicContact CD1-CD1 3.62Å; I118-L162 HydrophobicContact CG1-CD1 4.21Å; I118-L162 HydrophobicContact CG2-CD1 4.12Å; I118-L166 HydrophobicContact CG2-CD1 4.29Å; I118-L166 HydrophobicContact CG2-CD2 4.18Å
119	L	98.7	Very high	94.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.7	170.1	-179.5	68.1	0	0	0	109.8	L87 Y89 L100 A137 F140 A141 M146 L147 Y148 L149	L87-L119 HydrophobicContact CD2-CD1 4.32Å; L87-L119 HydrophobicContact CG-CD1 4.17Å; L87-L119 CarbonylContact O-C 3.57Å; L87-L119 WeakPolarHBondContact O-CA 3.49Å; Y89-L119 HydrophobicContact CD1-CD1 3.79Å; Y89-L119 HydrophobicContact CD1-CG 4.21Å; Y89-L119 HydrophobicContact CE1-CD1 4.12Å; Y89-L119 HydrophobicContact CE1-CD2 4.26Å; Y89-L119 HydrophobicContact CE1-CG 4.03Å; L100-L119 HydrophobicContact CD1-CD1 3.73Å; L100-L119 HydrophobicContact CD2-CD1 3.8Å; L100-L119 HydrophobicContact CG-CD1 4.44Å; L119-A137 HydrophobicContact CD2-CB 4.41Å; L119-F140 HydrophobicContact CD2-CD1 3.89Å; L119-A141 HydrophobicContact CB-CB 4.23Å; L119-A141 HydrophobicContact CD2-CB 3.97Å; L119-M146 HydrophobicContact CB-CE 4.03Å; L119-M146 HydrophobicContact CB-SD 4.48Å; L119-M146 HydrophobicContact CD2-CE 4.43Å; L119-L147 PolarHBondContact N-O 3.26Å; L119-Y148 HydrophobicContact CB-CD2 4.06Å; L119-Y148 HydrophobicContact CD2-CD2 3.83Å; L119-Y148 HydrophobicContact CD2-CE2 4.11Å; L119-Y148 HydrophobicContact CG-CD2 3.94Å; L119-Y148 HydrophobicContact CG-CE2 4.28Å; L119-Y148 WeakPolarHBondContact O-CA 3.36Å; L119-Y148 WeakPolarHBondContact O-CD2 3.2Å; L119-L149 PolarHBondContact O-N 3.43Å
120	V	98.8	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.8	-178.9	179.2	0	0	0	0	111.5	L25 I86 L87 T88 Y89 I118 L149 T151 L162	L25-V120 HydrophobicContact CD1-CG1 4.27Å; I86-V120 HydrophobicContact CG2-CB 4.24Å; I86-V120 HydrophobicContact CG2-CG2 3.59Å; L87-V120 PolarHBondContact O-N 3.49Å; T88-V120 WeakPolarHBondContact CA-O 3.45Å; T88-V120 HydrophobicContact CG2-CB 4.45Å; T88-V120 HydrophobicContact CG2-CG1 4.39Å; Y89-V120 VanDerWaalsContact CD1-O 3.28Å; Y89-V120 WeakPolarHBondContact CD1-O 3.27Å; Y89-V120 PolarHBondContact N-O 3.05Å; I118-V120 HydrophobicContact CG1-CG2 4.14Å; I118-V120 HydrophobicContact CG2-CG2 4.49Å; V120-L149 VanDerWaalsContact CA-O 3.27Å; V120-L149 WeakPolarHBondContact CA-O 3.34Å; V120-T151 HydrophobicContact CG1-CG2 3.84Å; V120-T151 VanDerWaalsContact CG1-OG1 3.26Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.47Å; V120-L162 HydrophobicContact CG1-CD2 4.33Å; V120-L162 HydrophobicContact CG2-CD1 3.55Å; V120-L162 HydrophobicContact CG2-CD2 3.91Å; V120-L162 HydrophobicContact CG2-CG 4.4Å
121	G	98.8	Very high	95.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	103.5	167.6	0	0	0	0	0	110.4	Y89 L149 E150 T151	Y89-G121 VanDerWaalsContact CZ-CA 3.42Å; G121-L149 PolarHBondContact N-O 3.45Å; G121-E150 CarbonylContact O-C 3.57Å; G121-E150 WeakPolarHBondContact O-CA 3.32Å; G121-T151 PolarHBondContact O-N 2.87Å
122	N	98.8	Very high	96	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	165.5	-178.4	-170.8	29.8	0	0	0	111.9	V20 L25 T88 Y89 I91 T151 A153	V20-N122 PolarHBondContact O-ND2 2.66Å; L25-N122 HydrophobicContact CD1-CB 4.47Å; T88-N122 HydrophobicContact CG2-CB 3.94Å; Y89-N122 PolarHBondContact O-N 2.91Å; I91-N122 WeakPolarHBondContact CG1-O 3.22Å; I91-N122 PolarHBondContact N-O 3.24Å; I91-N122 VanDerWaalsContact N-O 3.08Å; N122-T151 CarbonylContact C-O 3.44Å; N122-T151 WeakPolarHBondContact CA-O 3.02Å; N122-T151 PolarHBondContact OD1-O 2.86Å; N122-T151 PolarHBondContact OD1-OG1 3.37Å; N122-A153 PolarHBondContact OD1-N 3.45Å
123	K	98.3	Very high	96.5	Very high	50 Å²	50	56.4 Å²	56.4	22%	0.217	29%	0.29	C	S	.	.			trans	73.3	36	178.3	-44	-169.6	-163.4	169.1	0	114.8	G19 D90 D125 L126 T151	G19-K123 WeakPolarHBondContact O-CE 3.45Å; G19-K123 PolarHBondContact O-NZ 2.84Å; D90-K123 WeakPolarHBondContact OD1-CD 3.45Å; D90-K123 WeakPolarHBondContact OD2-CD 3.43Å; D90-K123 VanDerWaalsContact OD2-CE 3.23Å; D90-K123 WeakPolarHBondContact OD2-CE 3.44Å; D90-K123 IonicContact OD2-NZ 2.91Å; D90-K123 PolarHBondContact OD2-NZ 2.73Å; K123-D125 WeakPolarHBondContact CA-OD1 3.4Å; K123-D125 PolarHBondContact O-N 2.89Å; K123-D125 VanDerWaalsContact O-N 3.12Å; K123-L126 HydrophobicContact CB-CD1 4.36Å; K123-L126 HydrophobicContact CD-CD1 4.42Å; K123-L126 PolarHBondContact O-N 2.95Å; K123-T151 PolarHBondContact N-O 3.44Å
124	I	98.6	Very high	97.2	Very high	34 Å²	34	55 Å²	55	17%	0.174	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.2	175.6	64.4	-177.6	0	0	0	114.5	I91 L126 A127 E150 T151 D157	I91-I124 HydrophobicContact CD1-CB 4.48Å; I91-I124 HydrophobicContact CD1-CG2 4.26Å; I124-L126 PolarHBondContact O-N 2.97Å; I124-L126 VanDerWaalsContact O-N 3.16Å; I124-A127 PolarHBondContact O-N 3.45Å; I124-E150 HydrophobicContact CG2-CB 3.49Å; I124-E150 VanDerWaalsContact CG2-CB 3.49Å; I124-E150 HydrophobicContact CG2-CG 4.28Å; I124-T151 PolarHBondContact N-O 3.23Å; I124-D157 HydrophobicContact CD1-CB 3.99Å
125	D	98.3	Very high	97.7	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.251	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-61.7	-15.5	170.3	58.5	-78.1	0	0	0	113.3	K123 S152 K154 E155	K123-D125 WeakPolarHBondContact CA-OD1 3.4Å; K123-D125 PolarHBondContact O-N 2.89Å; K123-D125 VanDerWaalsContact O-N 3.12Å; D125-S152 VanDerWaalsContact CG-OG 3.27Å; D125-S152 WeakPolarHBondContact OD1-CB 3.18Å; D125-S152 PolarHBondContact OD1-OG 2.79Å; D125-K154 WeakPolarHBondContact OD2-CD 3.45Å; D125-E155 HydrophobicContact CB-CG 3.6Å
126	L	97.5	Very high	97.9	Very high	59 Å²	59	60.4 Å²	60.4	31%	0.309	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-104.4	37.4	175.2	-57.7	179.2	0	0	0	112.1	T92 K123 I124 D128 K129	T92-L126 HydrophobicContact CG2-CB 3.6Å; T92-L126 HydrophobicContact CG2-CD1 4.21Å; K123-L126 HydrophobicContact CB-CD1 4.36Å; K123-L126 HydrophobicContact CD-CD1 4.42Å; K123-L126 PolarHBondContact O-N 2.95Å; I124-L126 PolarHBondContact O-N 2.97Å; I124-L126 VanDerWaalsContact O-N 3.16Å; L126-D128 PolarHBondContact O-N 2.73Å; L126-D128 VanDerWaalsContact O-N 3.1Å; L126-K129 PolarHBondContact O-N 3.45Å
127	A	96.6	Very high	98.1	Very high	57 Å²	57	59.6 Å²	59.6	47%	0.471	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52.2	-34.4	-176.8	0	0	0	0	0	114.2	I124 K129 R130	I124-A127 PolarHBondContact O-N 3.45Å; A127-K129 PolarHBondContact O-N 3.36Å; A127-R130 WeakPolarHBondContact O-CB 3.28Å; A127-R130 PolarHBondContact O-N 3.36Å; A127-R130 VanDerWaalsContact O-N 3.13Å
128	D	97.8	Very high	98.2	Very high	171 Å²	171	60.7 Å²	60.7	91%	0.914	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.2	177.8	-62.4	-33.4	0	0	0	113.7	L126	L126-D128 PolarHBondContact O-N 2.73Å; L126-D128 VanDerWaalsContact O-N 3.1Å
129	K	98.1	Very high	98.2	Very high	143 Å²	143	64 Å²	64	62%	0.622	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-106.7	15	177.8	-60	-177.5	-179	179.7	0	112.3	T92 L126 A127 E131	T92-K129 WeakPolarHBondContact CA-O 3.34Å; T92-K129 VanDerWaalsContact CB-O 3.31Å; T92-K129 WeakPolarHBondContact CB-O 3.16Å; T92-K129 HydrophobicContact CG2-CB 3.88Å; L126-K129 PolarHBondContact O-N 3.45Å; A127-K129 PolarHBondContact O-N 3.36Å; K129-E131 PolarHBondContact O-N 2.95Å
130	R	98.5	Very high	98.1	Very high	72 Å²	72	65.9 Å²	65.9	27%	0.272	32%	0.316	S	S	.	.			trans	-61.9	124.9	-177.6	178.7	-180	-73.7	-91.6	9	110.7	I91 A127 V132 E150	I91-R130 HydrophobicContact CD1-CB 4.31Å; I91-R130 HydrophobicContact CD1-CG 4.38Å; A127-R130 WeakPolarHBondContact O-CB 3.28Å; A127-R130 PolarHBondContact O-N 3.36Å; A127-R130 VanDerWaalsContact O-N 3.13Å; R130-V132 WeakPolarHBondContact CD-O 3.41Å; R130-V132 WeakPolarHBondContact CG-O 3.38Å; R130-V132 PolarHBondContact NH1-O 2.78Å; R130-E150 IonicContact CZ-OE1 3.62Å; R130-E150 IonicContact CZ-OE2 2.62Å; R130-E150 IonicContact NH1-OE1 2.66Å; R130-E150 PolarHBondContact NH1-OE1 3.19Å; R130-E150 IonicContact NH1-OE2 3.06Å; R130-E150 IonicContact NH2-OE1 3.45Å; R130-E150 PolarHBondContact NH2-OE1 3.47Å; R130-E150 IonicContact NH2-OE2 2.63Å; R130-E150 PolarHBondContact NH2-OE2 3.1Å
131	E	98.4	Very high	98.1	Very high	114 Å²	114	65.9 Å²	65.9	53%	0.533	32%	0.316	S	S	.	.			trans	-104	-29.7	172.4	-61.7	-174.6	176.7	0	0	111.1	I91 C93 E94 K129	I91-E131 PolarHBondContact O-N 2.85Å; C93-E131 WeakPolarHBondContact CA-OE2 3.33Å; E94-E131 HydrophobicContact CB-CB 4.22Å; E94-E131 WeakPolarHBondContact CB-OE2 3.4Å; E94-E131 PolarHBondContact N-OE2 3.5Å; K129-E131 PolarHBondContact O-N 2.95Å
132	V	98.3	Very high	98	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-103.6	114.4	-179.1	-173.6	0	0	0	0	110.3	Y89 I91 F97 R130 A137	Y89-V132 HydrophobicContact CD2-CG2 4.35Å; Y89-V132 HydrophobicContact CE2-CB 3.88Å; Y89-V132 HydrophobicContact CE2-CG1 3.72Å; Y89-V132 HydrophobicContact CE2-CG2 4.12Å; I91-V132 PolarHBondContact O-N 2.8Å; I91-V132 VanDerWaalsContact O-N 3.08Å; F97-V132 HydrophobicContact CB-CG1 4.38Å; F97-V132 HydrophobicContact CB-CG2 3.74Å; F97-V132 HydrophobicContact CD1-CG1 4.36Å; F97-V132 HydrophobicContact CD2-CG1 3.65Å; F97-V132 HydrophobicContact CD2-CG2 4.49Å; F97-V132 HydrophobicContact CE2-CG1 3.97Å; F97-V132 HydrophobicContact CG-CG1 3.87Å; F97-V132 HydrophobicContact CG-CG2 4.14Å; F97-V132 HydrophobicContact CZ-CG1 4.46Å; R130-V132 WeakPolarHBondContact CD-O 3.41Å; R130-V132 WeakPolarHBondContact CG-O 3.38Å; R130-V132 PolarHBondContact NH1-O 2.78Å; V132-A137 HydrophobicContact CG1-CB 4.46Å
133	L	98.1	Very high	97.9	Very high	120 Å²	120	75.6 Å²	75.6	63%	0.628	37%	0.374	S	S	*	.			trans	-65.2	136.2	174.1	-65.8	178.2	0	0	0	110.9	Q135 R136 A137	L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-Q135 PolarHBondContact O-N 2.9Å; L133-R136 HydrophobicContact CB-CB 4.37Å; L133-R136 WeakPolarHBondContact O-CB 3.43Å; L133-R136 PolarHBondContact O-N 3.09Å; L133-R136 VanDerWaalsContact O-N 3.12Å; L133-A137 PolarHBondContact O-N 2.86Å
134	R	97.8	Very high	97.8	Very high	136 Å²	136	77.1 Å²	77.1	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-54.2	-46.5	177.6	179.9	173.3	169.9	157.1	-0.4	112.4	R136 A137 E138 Y148	R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.22Å; R134-A137 PolarHBondContact O-N 2.99Å; R134-A137 VanDerWaalsContact O-N 3.08Å; R134-E138 HydrophobicContact CG-CG 4.36Å; R134-E138 IonicContact CZ-OE1 2.78Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 2.89Å; R134-E138 IonicContact NH2-OE1 3.94Å; R134-E138 PolarHBondContact NH2-OE1 3.37Å; R134-E138 PolarHBondContact O-N 3.14Å; R134-Y148 HydrophobicContact CG-CE1 4.05Å
135	Q	98.1	Very high	97.6	Very high	111 Å²	111	81.1 Å²	81.1	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-55.5	-43.5	178.3	-172.7	64.1	49.6	0	0	112.2	L133 A137 E138 D139	L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-Q135 PolarHBondContact O-N 2.9Å; Q135-A137 VanDerWaalsContact C-N 3.29Å; Q135-A137 PolarHBondContact O-N 3.08Å; Q135-E138 PolarHBondContact O-N 3.31Å; Q135-D139 PolarHBondContact NE2-OD1 2.88Å; Q135-D139 WeakPolarHBondContact O-CB 3.45Å; Q135-D139 PolarHBondContact O-N 3.02Å
136	R	98.1	Very high	97.5	Very high	104 Å²	104	79.8 Å²	79.8	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-36.9	179.9	178.5	-180	170.7	-150.2	-2.3	112	E94 F97 L133 R134 F140	E94-R136 IonicContact OE1-CZ 3.83Å; E94-R136 VanDerWaalsContact OE1-CZ 3.28Å; E94-R136 IonicContact OE1-NH1 2.74Å; E94-R136 PolarHBondContact OE1-NH1 2.89Å; E94-R136 IonicContact OE1-NH2 2.87Å; E94-R136 PolarHBondContact OE1-NH2 3.13Å; E94-R136 IonicContact OE2-CZ 3.35Å; E94-R136 IonicContact OE2-NH1 3.24Å; E94-R136 PolarHBondContact OE2-NH1 3.1Å; E94-R136 IonicContact OE2-NH2 3.07Å; F97-R136 HydrophobicContact CE1-CG 4.14Å; F97-R136 HydrophobicContact CZ-CG 4.2Å; L133-R136 HydrophobicContact CB-CB 4.37Å; L133-R136 WeakPolarHBondContact O-CB 3.43Å; L133-R136 PolarHBondContact O-N 3.09Å; L133-R136 VanDerWaalsContact O-N 3.12Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.22Å; R136-F140 WeakPolarHBondContact O-CB 3.5Å; R136-F140 PolarHBondContact O-N 3.25Å; R136-F140 VanDerWaalsContact O-N 3.11Å
137	A	98.1	Very high	97.4	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-74.6	-36.6	177.2	0	0	0	0	0	112.2	Y89 F97 L119 V132 L133 R134 Q135 F140 A141 Y148	Y89-A137 HydrophobicContact CE1-CB 4.19Å; Y89-A137 WeakPolarHBondContact OH-CB 3.48Å; F97-A137 HydrophobicContact CE2-CB 3.7Å; F97-A137 HydrophobicContact CZ-CB 4.32Å; L119-A137 HydrophobicContact CD2-CB 4.41Å; V132-A137 HydrophobicContact CG1-CB 4.46Å; L133-A137 PolarHBondContact O-N 2.86Å; R134-A137 PolarHBondContact O-N 2.99Å; R134-A137 VanDerWaalsContact O-N 3.08Å; Q135-A137 VanDerWaalsContact C-N 3.29Å; Q135-A137 PolarHBondContact O-N 3.08Å; A137-F140 PolarHBondContact O-N 3.31Å; A137-A141 WeakPolarHBondContact O-CB 3.21Å; A137-A141 PolarHBondContact O-N 3.08Å; A137-Y148 HydrophobicContact CB-CD2 4.47Å; A137-Y148 HydrophobicContact CB-CE2 3.56Å; A137-Y148 WeakPolarHBondContact CB-OH 3.44Å
138	E	98.1	Very high	97.5	Very high	44 Å²	44	79.9 Å²	79.9	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-48.6	171.8	-74.5	176.6	178.8	0	0	111.4	R134 Q135 F140 A141 Q142 Y148	R134-E138 HydrophobicContact CG-CG 4.36Å; R134-E138 IonicContact CZ-OE1 2.78Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 2.89Å; R134-E138 IonicContact NH2-OE1 3.94Å; R134-E138 PolarHBondContact NH2-OE1 3.37Å; R134-E138 PolarHBondContact O-N 3.14Å; Q135-E138 PolarHBondContact O-N 3.31Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 2.95Å; E138-A141 PolarHBondContact O-N 2.98Å; E138-Q142 WeakPolarHBondContact O-CB 3.38Å; E138-Q142 VanDerWaalsContact O-CG 3.32Å; E138-Q142 WeakPolarHBondContact O-CG 3.45Å; E138-Q142 PolarHBondContact O-N 2.89Å; E138-Y148 HydrophobicContact CB-CD1 4.42Å; E138-Y148 HydrophobicContact CG-CD1 3.28Å; E138-Y148 HydrophobicContact CG-CE1 3.33Å; E138-Y148 HydrophobicContact CG-CG 4.14Å
139	D	98.4	Very high	97.6	Very high	78 Å²	78	72.8 Å²	72.8	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-42	177.3	-64	-19	0	0	0	111.2	Q135 A143	Q135-D139 PolarHBondContact NE2-OD1 2.88Å; Q135-D139 WeakPolarHBondContact O-CB 3.45Å; Q135-D139 PolarHBondContact O-N 3.02Å; D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 2.88Å
140	F	98.1	Very high	97.6	Very high	39 Å²	39	66.6 Å²	66.6	17%	0.171	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-46.3	175.8	-179.6	-92.3	0	0	0	111.9	F97 L100 P101 L104 L119 R136 A137 E138 Q142 A143 Q144 M146	F97-F140 HydrophobicContact CZ-CB 3.93Å; F97-F140 HydrophobicContact CZ-CG 4.11Å; L100-F140 HydrophobicContact CB-CE1 3.84Å; L100-F140 HydrophobicContact CB-CZ 3.68Å; L100-F140 HydrophobicContact CD1-CD1 4.18Å; L100-F140 HydrophobicContact CD1-CE1 3.85Å; L100-F140 HydrophobicContact CD1-CZ 4.37Å; L100-F140 HydrophobicContact CG-CE1 4.46Å; P101-F140 HydrophobicContact CG-CE2 4.32Å; P101-F140 HydrophobicContact CG-CZ 4.5Å; L104-F140 HydrophobicContact CD1-CE1 3.95Å; L104-F140 HydrophobicContact CD1-CE2 4.38Å; L104-F140 HydrophobicContact CD1-CZ 3.46Å; L104-F140 VanDerWaalsContact CD1-CZ 3.46Å; L104-F140 HydrophobicContact CG-CZ 4.49Å; L119-F140 HydrophobicContact CD2-CD1 3.89Å; R136-F140 WeakPolarHBondContact O-CB 3.5Å; R136-F140 PolarHBondContact O-N 3.25Å; R136-F140 VanDerWaalsContact O-N 3.11Å; A137-F140 PolarHBondContact O-N 3.31Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 2.95Å; F140-Q142 PolarHBondContact O-N 2.85Å; F140-A143 PolarHBondContact O-N 3.12Å; F140-Q144 HydrophobicContact CE1-CG 4.38Å; F140-Q144 HydrophobicContact CZ-CG 4.36Å; F140-Q144 WeakPolarHBondContact O-CG 3.3Å; F140-Q144 PolarHBondContact O-N 2.89Å; F140-M146 HydrophobicContact CD1-CE 3.93Å; F140-M146 HydrophobicContact CE1-CE 3.66Å
141	A	97.8	Very high	97.6	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-43.7	178.3	0	0	0	0	0	111.8	L119 A137 E138 A143 Q144 S145 M146 Y148	L119-A141 HydrophobicContact CB-CB 4.23Å; L119-A141 HydrophobicContact CD2-CB 3.97Å; A137-A141 WeakPolarHBondContact O-CB 3.21Å; A137-A141 PolarHBondContact O-N 3.08Å; E138-A141 PolarHBondContact O-N 2.98Å; A141-A143 PolarHBondContact O-N 2.95Å; A141-Q144 CarbonylContact O-C 3.48Å; A141-Q144 PolarHBondContact O-N 3.47Å; A141-S145 PolarHBondContact O-N 3.28Å; A141-M146 HydrophobicContact CB-CB 4.25Å; A141-M146 PolarHBondContact O-N 2.93Å; A141-Y148 HydrophobicContact CB-CD2 4.41Å; A141-Y148 HydrophobicContact CB-CG 4.41Å
142	Q	97.3	Very high	97.6	Very high	135 Å²	135	57.7 Å²	57.7	63%	0.631	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-45.3	176.7	-72.4	176.8	11.7	0	0	112	E138 F140 Q144 S145	E138-Q142 WeakPolarHBondContact O-CB 3.38Å; E138-Q142 VanDerWaalsContact O-CG 3.32Å; E138-Q142 WeakPolarHBondContact O-CG 3.45Å; E138-Q142 PolarHBondContact O-N 2.89Å; F140-Q142 PolarHBondContact O-N 2.85Å; Q142-Q144 PolarHBondContact O-N 3.47Å; Q142-S145 PolarHBondContact O-N 2.89Å; Q142-S145 VanDerWaalsContact O-N 3.09Å
143	A	97.1	Very high	97.6	Very high	73 Å²	73	57.8 Å²	57.8	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-60.9	-26.5	178.3	0	0	0	0	0	113.1	D139 F140 A141	D139-A143 WeakPolarHBondContact O-CB 3.48Å; D139-A143 PolarHBondContact O-N 2.88Å; F140-A143 PolarHBondContact O-N 3.12Å; A141-A143 PolarHBondContact O-N 2.95Å
144	Q	95.3	Very high	97.5	Very high	82 Å²	82	56.4 Å²	56.4	38%	0.383	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	9.3	-179.9	-55.9	-57.2	-52.7	0	0	112.9	L104 F140 A141 Q142 M146	L104-Q144 HydrophobicContact CD1-CB 4.39Å; L104-Q144 HydrophobicContact CD1-CG 3.7Å; F140-Q144 HydrophobicContact CE1-CG 4.38Å; F140-Q144 HydrophobicContact CZ-CG 4.36Å; F140-Q144 WeakPolarHBondContact O-CG 3.3Å; F140-Q144 PolarHBondContact O-N 2.89Å; A141-Q144 CarbonylContact O-C 3.48Å; A141-Q144 PolarHBondContact O-N 3.47Å; Q142-Q144 PolarHBondContact O-N 3.47Å; Q144-M146 HydrophobicContact CB-CE 3.86Å; Q144-M146 HydrophobicContact CB-CG 4.09Å; Q144-M146 HydrophobicContact CG-CE 4.33Å; Q144-M146 PolarHBondContact O-N 2.59Å
145	S	94	Very high	97.5	Very high	118 Å²	118	54.9 Å²	54.9	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	34.7	-177.4	-54.8	0	0	0	0	114.2	A141 Q142	A141-S145 PolarHBondContact O-N 3.28Å; Q142-S145 PolarHBondContact O-N 2.89Å; Q142-S145 VanDerWaalsContact O-N 3.09Å
146	M	95.6	Very high	97.5	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.089	27%	0.274	C	S	.	.			trans	-97	150.2	176.2	-61.3	-170.7	-70.4	0	0	111.2	L87 L104 T117 L119 F140 A141 Q144	L87-M146 HydrophobicContact CD2-SD 4.35Å; L104-M146 HydrophobicContact CD2-CE 4.14Å; L104-M146 HydrophobicContact CD2-SD 3.81Å; T117-M146 HydrophobicContact CG2-CG 3.99Å; T117-M146 HydrophobicContact CG2-SD 3.51Å; T117-M146 VanDerWaalsContact CG2-SD 3.51Å; T117-M146 WeakPolarHBondContact O-CA 3.38Å; L119-M146 HydrophobicContact CB-CE 4.03Å; L119-M146 HydrophobicContact CB-SD 4.48Å; L119-M146 HydrophobicContact CD2-CE 4.43Å; F140-M146 HydrophobicContact CD1-CE 3.93Å; F140-M146 HydrophobicContact CE1-CE 3.66Å; A141-M146 HydrophobicContact CB-CB 4.25Å; A141-M146 PolarHBondContact O-N 2.93Å; Q144-M146 HydrophobicContact CB-CE 3.86Å; Q144-M146 HydrophobicContact CB-CG 4.09Å; Q144-M146 HydrophobicContact CG-CE 4.33Å; Q144-M146 PolarHBondContact O-N 2.59Å
147	L	96.9	Very high	97.5	Very high	74 Å²	74	51 Å²	51	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	158.1	162.1	-58.8	176.5	0	0	0	109.6	V116 T117 I118 L119 E169	V116-L147 HydrophobicContact CG1-CD1 4.2Å; T117-L147 PolarHBondContact O-N 3.05Å; T117-L147 VanDerWaalsContact O-N 3.08Å; I118-L147 WeakPolarHBondContact CA-O 3.36Å; I118-L147 HydrophobicContact CB-CB 3.91Å; I118-L147 HydrophobicContact CD1-CB 3.84Å; I118-L147 HydrophobicContact CG1-CB 3.77Å; L119-L147 PolarHBondContact N-O 3.26Å; L147-E169 HydrophobicContact CD1-CG 4.41Å
148	Y	98.4	Very high	97.5	Very high	45 Å²	45	54.1 Å²	54.1	18%	0.176	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.3	177.2	178.2	-106.5	0	0	0	112.4	Y89 L119 R134 A137 E138 A141 E150	Y89-Y148 HydrophobicContact CE1-CE2 4.19Å; Y89-Y148 PolarHBondContact OH-OH 2.57Å; Y89-Y148 VanDerWaalsContact OH-OH 3.09Å; L119-Y148 HydrophobicContact CB-CD2 4.06Å; L119-Y148 HydrophobicContact CD2-CD2 3.83Å; L119-Y148 HydrophobicContact CD2-CE2 4.11Å; L119-Y148 HydrophobicContact CG-CD2 3.94Å; L119-Y148 HydrophobicContact CG-CE2 4.28Å; L119-Y148 WeakPolarHBondContact O-CA 3.36Å; L119-Y148 WeakPolarHBondContact O-CD2 3.2Å; R134-Y148 HydrophobicContact CG-CE1 4.05Å; A137-Y148 HydrophobicContact CB-CD2 4.47Å; A137-Y148 HydrophobicContact CB-CE2 3.56Å; A137-Y148 WeakPolarHBondContact CB-OH 3.44Å; E138-Y148 HydrophobicContact CB-CD1 4.42Å; E138-Y148 HydrophobicContact CG-CD1 3.28Å; E138-Y148 HydrophobicContact CG-CE1 3.33Å; E138-Y148 HydrophobicContact CG-CG 4.14Å; A141-Y148 HydrophobicContact CB-CD2 4.41Å; A141-Y148 HydrophobicContact CB-CG 4.41Å; Y148-E150 HydrophobicContact CE1-CG 3.96Å; Y148-E150 WeakPolarHBondContact OH-CG 3.49Å; Y148-E150 PolarHBondContact OH-OE1 2.85Å; Y148-E150 VanDerWaalsContact OH-OE1 3.13Å
149	L	98.6	Very high	97.5	Very high	21 Å²	21	52 Å²	52	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	142.5	173.6	-170.8	61.7	0	0	0	110.9	I118 L119 V120 G121 T151 N158 K161 L162	I118-L149 HydrophobicContact CD1-CB 4.24Å; L119-L149 PolarHBondContact O-N 3.43Å; V120-L149 VanDerWaalsContact CA-O 3.27Å; V120-L149 WeakPolarHBondContact CA-O 3.34Å; G121-L149 PolarHBondContact N-O 3.45Å; L149-T151 HydrophobicContact CD2-CG2 4.29Å; L149-T151 HydrophobicContact CG-CG2 4.29Å; L149-N158 HydrophobicContact CD1-CB 4.3Å; L149-N158 HydrophobicContact CD2-CB 4.14Å; L149-N158 HydrophobicContact CG-CB 4.21Å; L149-K161 HydrophobicContact CD1-CD 4.41Å; L149-K161 HydrophobicContact CD2-CG 4.44Å; L149-L162 HydrophobicContact CD2-CB 3.83Å; L149-L162 HydrophobicContact CD2-CD1 4.27Å
150	E	98.7	Very high	97.5	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.2	166.7	-59.7	-165.6	134.4	0	0	111.3	G121 I124 R130 Y148 N158	G121-E150 CarbonylContact O-C 3.57Å; G121-E150 WeakPolarHBondContact O-CA 3.32Å; I124-E150 HydrophobicContact CG2-CB 3.49Å; I124-E150 VanDerWaalsContact CG2-CB 3.49Å; I124-E150 HydrophobicContact CG2-CG 4.28Å; R130-E150 IonicContact CZ-OE1 3.62Å; R130-E150 IonicContact CZ-OE2 2.62Å; R130-E150 IonicContact NH1-OE1 2.66Å; R130-E150 PolarHBondContact NH1-OE1 3.19Å; R130-E150 IonicContact NH1-OE2 3.06Å; R130-E150 IonicContact NH2-OE1 3.45Å; R130-E150 PolarHBondContact NH2-OE1 3.47Å; R130-E150 IonicContact NH2-OE2 2.63Å; R130-E150 PolarHBondContact NH2-OE2 3.1Å; Y148-E150 HydrophobicContact CE1-CG 3.96Å; Y148-E150 WeakPolarHBondContact OH-CG 3.49Å; Y148-E150 PolarHBondContact OH-OE1 2.85Å; Y148-E150 VanDerWaalsContact OH-OE1 3.13Å; E150-N158 VanDerWaalsContact O-CB 3.29Å; E150-N158 WeakPolarHBondContact O-CB 3.45Å; E150-N158 PolarHBondContact O-ND2 3.26Å
151	T	98.8	Very high	97.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.9	-173	58.7	0	0	0	0	112.5	V120 G121 N122 K123 I124 L149 D157 N158 L162	V120-T151 HydrophobicContact CG1-CG2 3.84Å; V120-T151 VanDerWaalsContact CG1-OG1 3.26Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.47Å; G121-T151 PolarHBondContact O-N 2.87Å; N122-T151 CarbonylContact C-O 3.44Å; N122-T151 WeakPolarHBondContact CA-O 3.02Å; N122-T151 PolarHBondContact OD1-O 2.86Å; N122-T151 PolarHBondContact OD1-OG1 3.37Å; K123-T151 PolarHBondContact N-O 3.44Å; I124-T151 PolarHBondContact N-O 3.23Å; L149-T151 HydrophobicContact CD2-CG2 4.29Å; L149-T151 HydrophobicContact CG-CG2 4.29Å; T151-D157 WeakPolarHBondContact CA-O 3.41Å; T151-N158 HydrophobicContact CG2-CB 3.98Å; T151-L162 HydrophobicContact CG2-CB 4.41Å; T151-L162 HydrophobicContact CG2-CD2 4.3Å
152	S	98.4	Very high	97.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.299	C	S	.	.			trans	-123.8	109.5	160.5	177.3	0	0	0	0	109.4	D125 K154 E155 S156 D157 V159	D125-S152 VanDerWaalsContact CG-OG 3.27Å; D125-S152 WeakPolarHBondContact OD1-CB 3.18Å; D125-S152 PolarHBondContact OD1-OG 2.79Å; S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 2.71Å; S152-E155 PolarHBondContact OG-N 2.78Å; S152-S156 CarbonylContact O-C 3.39Å; S152-S156 WeakPolarHBondContact O-CA 3.17Å; S152-S156 PolarHBondContact O-N 3.41Å; S152-D157 PolarHBondContact N-O 3.1Å; S152-D157 PolarHBondContact O-N 3.29Å; S152-D157 VanDerWaalsContact O-N 3.16Å; S152-V159 WeakPolarHBondContact O-CG2 3.19Å
153	A	97.8	Very high	97.5	Very high	2 Å²	2	50 Å²	50	2%	0.017	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.8	168.8	0	0	0	0	0	112.6	C24 L25 R28 F34 N122	C24-A153 HydrophobicContact CB-CB 3.64Å; L25-A153 HydrophobicContact CD2-CB 3.91Å; L25-A153 HydrophobicContact CG-CB 4.17Å; R28-A153 PolarHBondContact NE-O 2.99Å; F34-A153 HydrophobicContact CD2-CB 4.28Å; F34-A153 WeakPolarHBondContact CD2-O 3.44Å; F34-A153 HydrophobicContact CE2-CB 4.37Å; N122-A153 PolarHBondContact OD1-N 3.45Å
154	K	97.1	Very high	97.5	Very high	91 Å²	91	48.7 Å²	48.7	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-53.3	-176.4	-173.9	-168	170.4	-129.3	0	111.4	R28 F34 D125 S152 S156	R28-K154 PolarHBondContact NH2-O 2.85Å; F34-K154 HydrophobicContact CD1-CG 4.28Å; F34-K154 HydrophobicContact CD2-CB 4.13Å; F34-K154 HydrophobicContact CE1-CB 4.39Å; F34-K154 HydrophobicContact CE1-CG 4.01Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CE2-CG 4.34Å; F34-K154 HydrophobicContact CZ-CB 3.95Å; F34-K154 HydrophobicContact CZ-CG 4.03Å; D125-K154 WeakPolarHBondContact OD2-CD 3.45Å; S152-K154 PolarHBondContact O-N 3.13Å; S152-K154 PolarHBondContact OG-N 2.71Å; K154-S156 VanDerWaalsContact C-N 3.3Å
155	E	97.4	Very high	97.6	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.2	-178.8	-53.1	-57.3	150.7	0	0	112.3	D125 S152 D157	D125-E155 HydrophobicContact CB-CG 3.6Å; S152-E155 PolarHBondContact OG-N 2.78Å; E155-D157 PolarHBondContact O-N 3.06Å
156	S	97.2	Very high	97.7	Very high	56 Å²	56	42.7 Å²	42.7	39%	0.392	21%	0.213	S	C	.	.			trans	69.3	12.8	-176.5	-159.4	0	0	0	0	114.8	S152 K154 N158 V159	S152-S156 CarbonylContact O-C 3.39Å; S152-S156 WeakPolarHBondContact O-CA 3.17Å; S152-S156 PolarHBondContact O-N 3.41Å; K154-S156 VanDerWaalsContact C-N 3.3Å; S156-N158 PolarHBondContact O-N 3.09Å; S156-V159 PolarHBondContact O-N 2.93Å
157	D	98.4	Very high	97.8	Very high	78 Å²	78	41.9 Å²	41.9	42%	0.417	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	126.7	178	-65.2	-34.2	0	0	0	111.5	I124 T151 S152 E155 V159	I124-D157 HydrophobicContact CD1-CB 3.99Å; T151-D157 WeakPolarHBondContact CA-O 3.41Å; S152-D157 PolarHBondContact N-O 3.1Å; S152-D157 PolarHBondContact O-N 3.29Å; S152-D157 VanDerWaalsContact O-N 3.16Å; E155-D157 PolarHBondContact O-N 3.06Å; D157-V159 PolarHBondContact O-N 3.37Å
158	N	98.3	Very high	97.7	Very high	65 Å²	65	40.6 Å²	40.6	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	7.4	178.5	-63.6	-35.1	0	0	0	115.7	L149 E150 T151 S156 K161 L162	L149-N158 HydrophobicContact CD1-CB 4.3Å; L149-N158 HydrophobicContact CD2-CB 4.14Å; L149-N158 HydrophobicContact CG-CB 4.21Å; E150-N158 VanDerWaalsContact O-CB 3.29Å; E150-N158 WeakPolarHBondContact O-CB 3.45Å; E150-N158 PolarHBondContact O-ND2 3.26Å; T151-N158 HydrophobicContact CG2-CB 3.98Å; S156-N158 PolarHBondContact O-N 3.09Å; N158-K161 HydrophobicContact CB-CB 4.49Å; N158-L162 WeakPolarHBondContact O-CB 3.44Å; N158-L162 PolarHBondContact O-N 2.95Å
159	V	98.3	Very high	97.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-49.2	-178.4	179.1	0	0	0	0	110.9	L25 R28 F29 S152 S156 D157 L162 F163	L25-V159 HydrophobicContact CD2-CG1 4.42Å; L25-V159 HydrophobicContact CD2-CG2 3.91Å; R28-V159 HydrophobicContact CB-CG1 4.07Å; R28-V159 HydrophobicContact CG-CB 4.17Å; R28-V159 HydrophobicContact CG-CG1 3.86Å; R28-V159 HydrophobicContact CG-CG2 4.05Å; F29-V159 HydrophobicContact CB-CG1 3.98Å; S152-V159 WeakPolarHBondContact O-CG2 3.19Å; S156-V159 PolarHBondContact O-N 2.93Å; D157-V159 PolarHBondContact O-N 3.37Å; V159-L162 WeakPolarHBondContact O-CB 3.25Å; V159-L162 PolarHBondContact O-N 3.13Å; V159-F163 HydrophobicContact CG1-CE2 4.38Å; V159-F163 VanDerWaalsContact O-CD2 3.28Å; V159-F163 WeakPolarHBondContact O-CD2 3.31Å
160	E	97.4	Very high	97.4	Very high	115 Å²	115	39.8 Å²	39.8	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-43.1	176.7	-177.9	163	-141.9	0	0	111.3	L162 F163 L164	E160-L162 VanDerWaalsContact C-N 3.28Å; E160-L162 PolarHBondContact O-N 3.06Å; E160-F163 PolarHBondContact O-N 3.14Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.95Å; E160-L164 WeakPolarHBondContact O-CG 3.44Å; E160-L164 PolarHBondContact O-N 3.28Å
161	K	97.9	Very high	97.2	Very high	95 Å²	95	39.8 Å²	39.8	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-53.1	-43.7	174.9	-175.1	179.4	-175.5	-59.8	0	112.2	L149 N158 F163 L164 D165	L149-K161 HydrophobicContact CD1-CD 4.41Å; L149-K161 HydrophobicContact CD2-CG 4.44Å; N158-K161 HydrophobicContact CB-CB 4.49Å; K161-F163 PolarHBondContact O-N 3.24Å; K161-L164 PolarHBondContact O-N 3.01Å; K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.25Å; K161-D165 WeakPolarHBondContact CG-OD2 3.4Å; K161-D165 IonicContact NZ-OD2 3.46Å; K161-D165 PolarHBondContact NZ-OD2 3.24Å; K161-D165 VanDerWaalsContact O-CB 3.23Å; K161-D165 WeakPolarHBondContact O-CB 3.45Å; K161-D165 PolarHBondContact O-N 2.82Å
162	L	98.5	Very high	96.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-52.9	-52.9	177.8	172.1	58.5	0	0	0	112.1	I86 I118 V120 L149 T151 N158 V159 E160 L166	I86-L162 HydrophobicContact CD1-CD2 4.29Å; I86-L162 HydrophobicContact CD1-CG 4.34Å; I86-L162 HydrophobicContact CG2-CD2 4.23Å; I118-L162 HydrophobicContact CD1-CD1 3.62Å; I118-L162 HydrophobicContact CG1-CD1 4.21Å; I118-L162 HydrophobicContact CG2-CD1 4.12Å; V120-L162 HydrophobicContact CG1-CD2 4.33Å; V120-L162 HydrophobicContact CG2-CD1 3.55Å; V120-L162 HydrophobicContact CG2-CD2 3.91Å; V120-L162 HydrophobicContact CG2-CG 4.4Å; L149-L162 HydrophobicContact CD2-CB 3.83Å; L149-L162 HydrophobicContact CD2-CD1 4.27Å; T151-L162 HydrophobicContact CG2-CB 4.41Å; T151-L162 HydrophobicContact CG2-CD2 4.3Å; N158-L162 WeakPolarHBondContact O-CB 3.44Å; N158-L162 PolarHBondContact O-N 2.95Å; V159-L162 WeakPolarHBondContact O-CB 3.25Å; V159-L162 PolarHBondContact O-N 3.13Å; E160-L162 VanDerWaalsContact C-N 3.28Å; E160-L162 PolarHBondContact O-N 3.06Å; L162-L166 VanDerWaalsContact O-CB 3.23Å; L162-L166 WeakPolarHBondContact O-CB 3.31Å; L162-L166 PolarHBondContact O-N 3.25Å
163	F	98.2	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-77.2	-35.6	-175.4	-68.8	-84	0	0	0	112.4	I12 L14 F29 L60 I62 I86 V159 E160 K161 A167	I12-F163 HydrophobicContact CD1-CD1 4.28Å; L14-F163 HydrophobicContact CD1-CE1 4.49Å; F29-F163 HydrophobicContact CB-CD2 3.59Å; F29-F163 HydrophobicContact CB-CE2 3.48Å; F29-F163 VanDerWaalsContact CB-CE2 3.48Å; F29-F163 HydrophobicContact CB-CG 4.46Å; F29-F163 HydrophobicContact CB-CZ 4.26Å; F29-F163 HydrophobicContact CD1-CB 4.09Å; F29-F163 AromaticContact CD1-CD1 3.92Å; F29-F163 HydrophobicContact CD1-CD1 3.92Å; F29-F163 AromaticContact CD1-CD2 3.6Å; F29-F163 HydrophobicContact CD1-CD2 3.6Å; F29-F163 HydrophobicContact CD1-CE1 4.24Å; F29-F163 AromaticContact CD1-CE2 3.96Å; F29-F163 HydrophobicContact CD1-CE2 3.96Å; F29-F163 AromaticContact CD1-CG 3.59Å; F29-F163 HydrophobicContact CD1-CG 3.59Å; F29-F163 HydrophobicContact CD1-CZ 4.26Å; F29-F163 HydrophobicContact CD2-CB 3.99Å; F29-F163 AromaticContact CD2-CD2 3.6Å; F29-F163 HydrophobicContact CD2-CD2 3.6Å; F29-F163 HydrophobicContact CD2-CE2 4.39Å; F29-F163 AromaticContact CD2-CG 4Å; F29-F163 HydrophobicContact CD2-CG 4Å; F29-F163 HydrophobicContact CE1-CB 3.71Å; F29-F163 AromaticContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD1 3.99Å; F29-F163 HydrophobicContact CE1-CD2 4.13Å; F29-F163 AromaticContact CE1-CG 3.68Å; F29-F163 HydrophobicContact CE1-CG 3.68Å; F29-F163 HydrophobicContact CE2-CB 3.61Å; F29-F163 HydrophobicContact CE2-CD2 4.15Å; F29-F163 HydrophobicContact CE2-CG 4.09Å; F29-F163 HydrophobicContact CG-CB 4.22Å; F29-F163 HydrophobicContact CG-CD1 4.47Å; F29-F163 AromaticContact CG-CD2 3.3Å; F29-F163 HydrophobicContact CG-CD2 3.3Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.42Å; F29-F163 HydrophobicContact CZ-CB 3.46Å; F29-F163 VanDerWaalsContact CZ-CB 3.46Å; F29-F163 HydrophobicContact CZ-CD2 4.38Å; F29-F163 AromaticContact CZ-CG 3.94Å; F29-F163 HydrophobicContact CZ-CG 3.94Å; L60-F163 HydrophobicContact CD1-CB 4.41Å; I62-F163 HydrophobicContact CD1-CD1 4.11Å; I62-F163 HydrophobicContact CD1-CE1 3.93Å; I62-F163 HydrophobicContact CG2-CE1 4.28Å; I86-F163 HydrophobicContact CD1-CD1 4.17Å; I86-F163 HydrophobicContact CD1-CE1 3.65Å; I86-F163 HydrophobicContact CD1-CZ 4.11Å; V159-F163 HydrophobicContact CG1-CE2 4.38Å; V159-F163 VanDerWaalsContact O-CD2 3.28Å; V159-F163 WeakPolarHBondContact O-CD2 3.31Å; E160-F163 PolarHBondContact O-N 3.14Å; K161-F163 PolarHBondContact O-N 3.24Å; F163-A167 VanDerWaalsContact O-CB 3.26Å; F163-A167 WeakPolarHBondContact O-CB 3.41Å; F163-A167 PolarHBondContact O-N 3.43Å
164	L	97.3	Very high	96.2	Very high	46 Å²	46	45.8 Å²	45.8	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-70.8	-43.4	178.9	-65.4	-173.9	0	0	0	112.1	V51 I53 E160 K161 L166 A167 C168	V51-L164 HydrophobicContact CB-CD2 4.08Å; V51-L164 HydrophobicContact CG1-CD2 4.1Å; V51-L164 HydrophobicContact CG2-CD2 4.07Å; I53-L164 HydrophobicContact CD1-CD2 4.17Å; I53-L164 HydrophobicContact CG1-CD2 4.36Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.95Å; E160-L164 WeakPolarHBondContact O-CG 3.44Å; E160-L164 PolarHBondContact O-N 3.28Å; K161-L164 PolarHBondContact O-N 3.01Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 2.69Å; L164-A167 PolarHBondContact O-N 3.28Å; L164-C168 PolarHBondContact O-N 3.08Å; L164-C168 PolarHBondContact O-SG 3.37Å
165	D	96.1	Very high	95.8	Very high	73 Å²	73	47 Å²	47	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-40.9	177.5	-71	-3.5	0	0	0	110.8	K161 C168 E169	K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.25Å; K161-D165 WeakPolarHBondContact CG-OD2 3.4Å; K161-D165 IonicContact NZ-OD2 3.46Å; K161-D165 PolarHBondContact NZ-OD2 3.24Å; K161-D165 VanDerWaalsContact O-CB 3.23Å; K161-D165 WeakPolarHBondContact O-CB 3.45Å; K161-D165 PolarHBondContact O-N 2.82Å; D165-C168 WeakPolarHBondContact O-CB 3.46Å; D165-C168 PolarHBondContact O-N 3.14Å; D165-E169 PolarHBondContact O-N 3Å
166	L	96.9	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.9	-173	60.9	0	0	0	111.4	I12 A84 I86 V116 I118 L162 L164 E169 L170	I12-L166 HydrophobicContact CD1-CD2 4.14Å; I12-L166 HydrophobicContact CG1-CD2 4.46Å; I12-L166 HydrophobicContact CG2-CD2 4.2Å; A84-L166 HydrophobicContact CB-CD1 3.79Å; A84-L166 HydrophobicContact CB-CD2 3.72Å; A84-L166 HydrophobicContact CB-CG 3.9Å; I86-L166 HydrophobicContact CD1-CD2 3.99Å; I86-L166 HydrophobicContact CG1-CD2 3.82Å; V116-L166 HydrophobicContact CB-CD1 4.37Å; V116-L166 HydrophobicContact CG1-CD1 3.67Å; I118-L166 HydrophobicContact CG2-CD1 4.29Å; I118-L166 HydrophobicContact CG2-CD2 4.18Å; L162-L166 VanDerWaalsContact O-CB 3.23Å; L162-L166 WeakPolarHBondContact O-CB 3.31Å; L162-L166 PolarHBondContact O-N 3.25Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 2.69Å; L166-E169 PolarHBondContact O-N 3.38Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.43Å; L166-L170 PolarHBondContact O-N 3.07Å
167	A	96.8	Very high	93.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-41.3	174.9	0	0	0	0	0	112	I53 V58 L60 F163 L164 E169 L170 I171	I53-A167 HydrophobicContact CD1-CB 3.39Å; V58-A167 HydrophobicContact CG1-CB 4.5Å; L60-A167 HydrophobicContact CD1-CB 4.5Å; L60-A167 HydrophobicContact CD2-CB 4.09Å; F163-A167 VanDerWaalsContact O-CB 3.26Å; F163-A167 WeakPolarHBondContact O-CB 3.41Å; F163-A167 PolarHBondContact O-N 3.43Å; L164-A167 PolarHBondContact O-N 3.28Å; A167-E169 VanDerWaalsContact C-N 3.31Å; A167-E169 PolarHBondContact O-N 3.45Å; A167-L170 PolarHBondContact O-N 3.1Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.4Å; A167-I171 PolarHBondContact O-N 3.41Å
168	C	95.8	Very high	92.2	Very high	48 Å²	48	52 Å²	52	32%	0.324	25%	0.251	S	S	.	.	H	α-helix	trans	-57.3	-45.1	173.7	-69.3	0	0	0	0	111.8	I53 L164 D165 I171 R172	I53-C168 WeakPolarHBondContact CG2-SG 3.21Å; L164-C168 PolarHBondContact O-N 3.08Å; L164-C168 PolarHBondContact O-SG 3.37Å; D165-C168 WeakPolarHBondContact O-CB 3.46Å; D165-C168 PolarHBondContact O-N 3.14Å; C168-I171 PolarHBondContact O-N 2.9Å; C168-R172 PolarHBondContact O-N 3.26Å
169	E	95	Very high	90.3	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-41.6	178.8	-179.3	63.5	179.2	0	0	111.7	V116 L147 D165 L166 A167 R172 E173	V116-E169 HydrophobicContact CG1-CG 4.11Å; V116-E169 HydrophobicContact CG2-CG 4.46Å; L147-E169 HydrophobicContact CD1-CG 4.41Å; D165-E169 PolarHBondContact O-N 3Å; L166-E169 PolarHBondContact O-N 3.38Å; A167-E169 VanDerWaalsContact C-N 3.31Å; A167-E169 PolarHBondContact O-N 3.45Å; E169-R172 VanDerWaalsContact CD-NH2 3.34Å; E169-R172 WeakPolarHBondContact O-CB 3.21Å; E169-R172 PolarHBondContact O-N 3.12Å; E169-R172 VanDerWaalsContact O-N 3.16Å; E169-R172 IonicContact OE1-CZ 3.51Å; E169-R172 IonicContact OE1-NE 2.84Å; E169-R172 IonicContact OE1-NH2 3.4Å; E169-R172 PolarHBondContact OE1-NH2 3.15Å; E169-R172 IonicContact OE2-CZ 2.85Å; E169-R172 IonicContact OE2-NE 3.74Å; E169-R172 PolarHBondContact OE2-NE 2.82Å; E169-R172 IonicContact OE2-NH2 3.28Å; E169-R172 PolarHBondContact OE2-NH2 3.23Å; E169-E173 WeakPolarHBondContact O-CG 3.13Å; E169-E173 PolarHBondContact O-N 2.83Å
170	L	95.3	Very high	88.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-39	176	-68.1	175	0	0	0	112.8	F10 N83 A84 V116 L166 A167 R172 E173 A174 L179	F10-L170 HydrophobicContact CB-CD1 3.72Å; F10-L170 HydrophobicContact CD1-CB 3.88Å; F10-L170 HydrophobicContact CD1-CD1 4Å; F10-L170 HydrophobicContact CD1-CG 4.46Å; F10-L170 HydrophobicContact CD2-CB 3.8Å; F10-L170 HydrophobicContact CD2-CD1 3.99Å; F10-L170 HydrophobicContact CE1-CB 3.72Å; F10-L170 HydrophobicContact CE2-CB 3.64Å; F10-L170 HydrophobicContact CG-CB 3.93Å; F10-L170 HydrophobicContact CG-CD1 3.63Å; F10-L170 HydrophobicContact CG-CG 4.41Å; F10-L170 HydrophobicContact CZ-CB 3.6Å; N83-L170 HydrophobicContact CB-CD1 4.12Å; N83-L170 HydrophobicContact CB-CD2 4.01Å; N83-L170 WeakPolarHBondContact O-CD2 3.47Å; A84-L170 HydrophobicContact CB-CD1 3.98Å; A84-L170 HydrophobicContact CB-CD2 4.31Å; V116-L170 HydrophobicContact CB-CD2 3.99Å; V116-L170 HydrophobicContact CG2-CD2 3.65Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.43Å; L166-L170 PolarHBondContact O-N 3.07Å; A167-L170 PolarHBondContact O-N 3.1Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 2.77Å; L170-E173 PolarHBondContact O-N 3.35Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.37Å; L170-L179 HydrophobicContact CB-CD1 4.42Å; L170-L179 HydrophobicContact CD2-CD1 3.89Å; L170-L179 WeakPolarHBondContact O-CD1 3.23Å
171	I	94.6	Very high	86.1	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.067	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-43.6	171.7	-64.8	167.6	0	0	0	110	Y8 F10 I53 V58 A167 C168 A174 K175	Y8-I171 HydrophobicContact CD2-CG1 4.11Å; Y8-I171 HydrophobicContact CE2-CG1 4.3Å; Y8-I171 HydrophobicContact CE2-CG2 4.03Å; Y8-I171 HydrophobicContact CG-CG1 4.37Å; F10-I171 HydrophobicContact CE2-CG1 3.82Å; F10-I171 HydrophobicContact CZ-CG1 4.21Å; I53-I171 HydrophobicContact CB-CD1 4.09Å; I53-I171 HydrophobicContact CD1-CD1 4.48Å; I53-I171 HydrophobicContact CG2-CD1 3.99Å; V58-I171 HydrophobicContact CG2-CD1 3.75Å; V58-I171 HydrophobicContact CG2-CG1 4.27Å; A167-I171 VanDerWaalsContact O-CG1 3.29Å; A167-I171 WeakPolarHBondContact O-CG1 3.4Å; A167-I171 PolarHBondContact O-N 3.41Å; C168-I171 PolarHBondContact O-N 2.9Å; I171-A174 PolarHBondContact O-N 3.09Å; I171-K175 HydrophobicContact CG2-CD 3.98Å; I171-K175 HydrophobicContact CG2-CG 4.36Å; I171-K175 WeakPolarHBondContact O-CB 3.49Å; I171-K175 WeakPolarHBondContact O-CG 3.48Å; I171-K175 PolarHBondContact O-N 2.66Å
172	R	93.1	Very high	83.6	Confident	95 Å²	95	56 Å²	56	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-46.3	179.6	-169.8	-170.5	65.5	67.7	-10.7	111.3	C168 E169 L170 K175 Q176	C168-R172 PolarHBondContact O-N 3.26Å; E169-R172 VanDerWaalsContact CD-NH2 3.34Å; E169-R172 WeakPolarHBondContact O-CB 3.21Å; E169-R172 PolarHBondContact O-N 3.12Å; E169-R172 VanDerWaalsContact O-N 3.16Å; E169-R172 IonicContact OE1-CZ 3.51Å; E169-R172 IonicContact OE1-NE 2.84Å; E169-R172 IonicContact OE1-NH2 3.4Å; E169-R172 PolarHBondContact OE1-NH2 3.15Å; E169-R172 IonicContact OE2-CZ 2.85Å; E169-R172 IonicContact OE2-NE 3.74Å; E169-R172 PolarHBondContact OE2-NE 2.82Å; E169-R172 IonicContact OE2-NH2 3.28Å; E169-R172 PolarHBondContact OE2-NH2 3.23Å; L170-R172 VanDerWaalsContact C-N 3.27Å; L170-R172 PolarHBondContact O-N 2.77Å; R172-K175 PolarHBondContact O-N 3.48Å; R172-Q176 VanDerWaalsContact NH1-CD 3.28Å; R172-Q176 WeakPolarHBondContact O-CG 3.49Å; R172-Q176 PolarHBondContact O-N 3.26Å
173	E	90.8	Very high	81.2	Confident	27 Å²	27	61.5 Å²	61.5	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-38.4	177.9	-71.9	-64.3	135.8	0	0	112.2	V116 E169 L170 Q176 N177 K178 L179	V116-E173 HydrophobicContact CG2-CG 4.45Å; E169-E173 WeakPolarHBondContact O-CG 3.13Å; E169-E173 PolarHBondContact O-N 2.83Å; L170-E173 PolarHBondContact O-N 3.35Å; E173-Q176 PolarHBondContact O-N 3.19Å; E173-N177 PolarHBondContact O-N 3.33Å; E173-K178 PolarHBondContact O-N 3.05Å; E173-K178 VanDerWaalsContact O-N 3.11Å; E173-K178 IonicContact OE1-NZ 3.82Å; E173-K178 WeakPolarHBondContact OE2-CB 2.9Å; E173-K178 WeakPolarHBondContact OE2-CD 3.44Å; E173-K178 IonicContact OE2-NZ 3.76Å; E173-L179 HydrophobicContact CB-CD1 3.6Å; E173-L179 HydrophobicContact CB-CG 3.95Å
174	A	89.4	Confident	79	Confident	6 Å²	6	67.1 Å²	67.1	5%	0.05	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.6	0	0	0	0	0	112.2	Y8 F10 L170 I171 Q176 N177 L179	Y8-A174 HydrophobicContact CD1-CB 4.27Å; Y8-A174 HydrophobicContact CE1-CB 3.87Å; F10-A174 HydrophobicContact CZ-CB 4.45Å; L170-A174 VanDerWaalsContact O-CB 3.3Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.37Å; I171-A174 PolarHBondContact O-N 3.09Å; A174-Q176 PolarHBondContact O-N 3.44Å; A174-N177 PolarHBondContact O-N 3.17Å; A174-L179 HydrophobicContact CB-CB 4.45Å; A174-L179 HydrophobicContact CB-CD1 4.36Å
175	K	88.4	Confident	77	Confident	117 Å²	117	67.4 Å²	67.4	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-23.4	175.9	-72.8	-177.8	179	-175.5	0	112.8	Y8 E56 I171 R172 N177	Y8-K175 WeakPolarHBondContact OH-CE 3.36Å; E56-K175 IonicContact OE1-NZ 2.82Å; E56-K175 PolarHBondContact OE1-NZ 2.91Å; I171-K175 HydrophobicContact CG2-CD 3.98Å; I171-K175 HydrophobicContact CG2-CG 4.36Å; I171-K175 WeakPolarHBondContact O-CB 3.49Å; I171-K175 WeakPolarHBondContact O-CG 3.48Å; I171-K175 PolarHBondContact O-N 2.66Å; R172-K175 PolarHBondContact O-N 3.48Å; K175-N177 VanDerWaalsContact C-N 3.3Å
176	Q	85.3	Confident	75.1	Confident	95 Å²	95	68.6 Å²	68.6	44%	0.444	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6.6	175.2	-69.7	179	8.9	0	0	113.6	R172 E173 A174 K178	R172-Q176 VanDerWaalsContact NH1-CD 3.28Å; R172-Q176 WeakPolarHBondContact O-CG 3.49Å; R172-Q176 PolarHBondContact O-N 3.26Å; E173-Q176 PolarHBondContact O-N 3.19Å; A174-Q176 PolarHBondContact O-N 3.44Å; Q176-K178 HydrophobicContact CB-CD 4.43Å; Q176-K178 PolarHBondContact O-N 3.43Å
177	N	69.1	Low	73.6	Confident	149 Å²	149	68.9 Å²	68.9	80%	0.797	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	29.9	-175.6	-59.9	-48.1	0	0	0	114.1	E173 A174 K175	E173-N177 PolarHBondContact O-N 3.33Å; A174-N177 PolarHBondContact O-N 3.17Å; K175-N177 VanDerWaalsContact C-N 3.3Å
178	K	63.3	Low	72.1	Confident	96 Å²	96	71.8 Å²	71.8	42%	0.417	39%	0.385	S	S	.	.			trans	-98	-8.2	175.6	-72.6	173.3	174.9	172.1	0	113.3	Q114 E173 Q176	Q114-K178 WeakPolarHBondContact CG-O 3.25Å; Q114-K178 PolarHBondContact NE2-O 2.81Å; Q114-K178 PolarHBondContact OE1-O 3.43Å; Q114-K178 VanDerWaalsContact OE1-O 3.11Å; E173-K178 PolarHBondContact O-N 3.05Å; E173-K178 VanDerWaalsContact O-N 3.11Å; E173-K178 IonicContact OE1-NZ 3.82Å; E173-K178 WeakPolarHBondContact OE2-CB 2.9Å; E173-K178 WeakPolarHBondContact OE2-CD 3.44Å; E173-K178 IonicContact OE2-NZ 3.76Å; Q176-K178 HydrophobicContact CB-CD 4.43Å; Q176-K178 PolarHBondContact O-N 3.43Å
179	L	59.8	Low	70.4	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.073	40%	0.398	C	S	.	.	S	Bend	trans	-115.2	118.5	171.8	-68.4	168.8	0	0	0	108	F10 Q114 L170 E173 A174 N181	F10-L179 HydrophobicContact CE1-CD1 4.44Å; Q114-L179 HydrophobicContact CB-CD2 4.29Å; L170-L179 HydrophobicContact CB-CD1 4.42Å; L170-L179 HydrophobicContact CD2-CD1 3.89Å; L170-L179 WeakPolarHBondContact O-CD1 3.23Å; E173-L179 HydrophobicContact CB-CD1 3.6Å; E173-L179 HydrophobicContact CB-CG 3.95Å; A174-L179 HydrophobicContact CB-CB 4.45Å; A174-L179 HydrophobicContact CB-CD1 4.36Å; L179-N181 PolarHBondContact O-N 3.42Å
180	D	55.8	Low	68.8	Low	124 Å²	124	72.8 Å²	72.8	66%	0.663	40%	0.4	S	S	*	.			trans	-70.5	95.3	168.8	-79.1	-27.9	0	0	0	108.5	N182	D180-N182 PolarHBondContact O-N 3.49Å
181	N	51.8	Low	66.3	Low	80 Å²	80	75.9 Å²	75.9	43%	0.428	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	2.8	177	-77.7	-19.4	0	0	0	114.1	L179	L179-N181 PolarHBondContact O-N 3.42Å
182	N	43.7	Very low	63.4	Low	142 Å²	142	84.6 Å²	84.6	76%	0.759	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	2	-172	-75.5	-23.9	0	0	0	114.7	D180 T184	D180-N182 PolarHBondContact O-N 3.49Å; N182-T184 PolarHBondContact O-N 3.07Å
183	D	49.8	Very low	60.6	Low	116 Å²	116	86.4 Å²	86.4	62%	0.62	49%	0.492	S	S	*	.			trans	-77.8	71.3	167.1	-103.5	-8.5	0	0	0	109.8	A185	D183-A185 PolarHBondContact O-N 3.38Å
184	T	50.8	Low	58	Low	119 Å²	119	91.7 Å²	91.7	73%	0.73	52%	0.52	S	S	*	.			trans	-69.7	13.9	169.6	62.2	0	0	0	0	112.2	N182 P186	N182-T184 PolarHBondContact O-N 3.07Å; T184-P186 VanDerWaalsContact O-CD 3.28Å; T184-P186 WeakPolarHBondContact O-CD 3.23Å; T184-P186 VanDerWaalsContact O-N 3.15Å
185	A	55.5	Low	55.1	Low	51 Å²	51	95.5 Å²	95.5	42%	0.421	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-60	118.3	175.4	0	0	0	0	0	108.1	K11 D183 M187	K11-A185 PolarHBondContact NZ-O 3.36Å; D183-A185 PolarHBondContact O-N 3.38Å; A185-M187 PolarHBondContact O-N 3.3Å
186	P	56.7	Low	52.4	Low	99 Å²	99	99.9 Å²	99.9	64%	0.643	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-64.5	131.6	-178.2	22.5	-30.2	0	0	0	110	T184 E190	T184-P186 VanDerWaalsContact O-CD 3.28Å; T184-P186 WeakPolarHBondContact O-CD 3.23Å; T184-P186 VanDerWaalsContact O-N 3.15Å; P186-E190 WeakPolarHBondContact CA-OE2 3.24Å; P186-E190 VanDerWaalsContact CB-OE2 3.22Å; P186-E190 WeakPolarHBondContact CB-OE2 3.27Å
187	M	65.4	Low	49.9	Very low	6 Å²	6	102.8 Å²	102.8	3%	0.03	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-67.5	150.2	169.5	-69.9	-108.2	-92.8	0	0	109.8	K11 V13 W63 Y78 S81 A185 G189 E190	K11-M187 HydrophobicContact CD-CG 3.95Å; V13-M187 HydrophobicContact CG2-CE 3.76Å; W63-M187 HydrophobicContact CD2-CE 3.59Å; W63-M187 HydrophobicContact CE3-CE 3.59Å; W63-M187 HydrophobicContact CG-CE 4.26Å; W63-M187 HydrophobicContact CH2-CB 4.16Å; W63-M187 HydrophobicContact CH2-CE 3.89Å; W63-M187 HydrophobicContact CH2-CG 3.95Å; W63-M187 HydrophobicContact CZ2-CB 3.49Å; W63-M187 VanDerWaalsContact CZ2-CB 3.49Å; W63-M187 HydrophobicContact CZ2-CE 3.91Å; W63-M187 HydrophobicContact CZ2-CG 3.78Å; W63-M187 HydrophobicContact CZ3-CE 3.74Å; Y78-M187 HydrophobicContact CD1-CE 3.91Å; Y78-M187 HydrophobicContact CD1-SD 4.23Å; Y78-M187 HydrophobicContact CG-CE 4.39Å; Y78-M187 VanDerWaalsContact O-CE 3.29Å; Y78-M187 WeakPolarHBondContact O-CE 3.28Å; Y78-M187 VanDerWaalsContact O-SD 3.33Å; S81-M187 WeakPolarHBondContact OG-CG 3.1Å; S81-M187 PolarHBondContact OG-SD 2.81Å; A185-M187 PolarHBondContact O-N 3.3Å; M187-G189 PolarHBondContact O-N 2.91Å; M187-E190 HydrophobicContact CB-CG 4.19Å; M187-E190 WeakPolarHBondContact CB-OE1 3.43Å; M187-E190 PolarHBondContact N-OE1 2.92Å; M187-E190 WeakPolarHBondContact O-CG 3.39Å; M187-E190 PolarHBondContact O-N 3.32Å
188	P	64.3	Low	48.1	Very low	62 Å²	62	103.3 Å²	103.3	40%	0.403	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.7	137.3	168.8	-23.5	33.8	0	0	0	110.3	Y78	Y78-P188 HydrophobicContact CE1-CB 4.27Å; Y78-P188 WeakPolarHBondContact CE1-O 3.47Å; Y78-P188 PolarHBondContact OH-O 3.34Å
189	G	59.8	Low	46.8	Very low	57 Å²	57	104.7 Å²	104.7	59%	0.588	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	86	-2.1	179.7	0	0	0	0	0	116.6	M187 G191	M187-G189 PolarHBondContact O-N 2.91Å; G189-G191 PolarHBondContact O-N 2.97Å
190	E	62.6	Low	45.9	Very low	60 Å²	60	110 Å²	110	28%	0.28	64%	0.638	S	S	.	*			trans	-66.8	4.4	169.1	-73.7	-179.8	-165.8	0	0	113.9	K11 W63 P186 M187 K192	K11-E190 WeakPolarHBondContact CE-OE1 3.41Å; K11-E190 IonicContact NZ-OE1 3.84Å; W63-E190 HydrophobicContact CZ2-CG 3.77Å; P186-E190 WeakPolarHBondContact CA-OE2 3.24Å; P186-E190 VanDerWaalsContact CB-OE2 3.22Å; P186-E190 WeakPolarHBondContact CB-OE2 3.27Å; M187-E190 HydrophobicContact CB-CG 4.19Å; M187-E190 WeakPolarHBondContact CB-OE1 3.43Å; M187-E190 PolarHBondContact N-OE1 2.92Å; M187-E190 WeakPolarHBondContact O-CG 3.39Å; M187-E190 PolarHBondContact O-N 3.32Å; E190-K192 PolarHBondContact O-N 3.37Å
191	G	42.4	Very low	44.9	Very low	66 Å²	66	109.4 Å²	109.4	68%	0.68	64%	0.644	S	S	*	*			trans	-87.6	107.6	-175.4	0	0	0	0	0	114.7	G189	G189-G191 PolarHBondContact O-N 2.97Å
192	K	34.8	Very low	44.3	Very low	196 Å²	196	113.4 Å²	113.4	85%	0.852	67%	0.665	S	S	*	*			trans	84	101.3	168.1	-59.1	-172.2	178.7	-178.6	0	116.3	E190 I194	E190-K192 PolarHBondContact O-N 3.37Å; K192-I194 PolarHBondContact O-N 3.11Å; K192-I194 VanDerWaalsContact O-N 3.13Å
193	T	33.9	Very low	43.8	Very low	133 Å²	133	117.7 Å²	117.7	82%	0.816	69%	0.687	S	S	*	*			trans	-40.8	116.2	150.4	-45.9	0	0	0	0	109.4	S195	T193-S195 PolarHBondContact O-N 3.11Å
194	I	34.9	Very low	43.5	Very low	138 Å²	138	117.8 Å²	117.8	71%	0.708	69%	0.691	S	S	*	*			trans	-68.9	96	161.1	-62.3	175.9	0	0	0	104.8	K192 Y196	K192-I194 PolarHBondContact O-N 3.11Å; K192-I194 VanDerWaalsContact O-N 3.13Å; I194-Y196 PolarHBondContact O-N 3.25Å; I194-Y196 VanDerWaalsContact O-N 3.1Å
195	S	29.7	Very low	43.1	Very low	86 Å²	86	117.7 Å²	117.7	60%	0.601	69%	0.689	S	S	*	*			trans	-59.1	114.6	158.6	45.3	0	0	0	0	105.9	T193 L197	T193-S195 PolarHBondContact O-N 3.11Å; S195-L197 PolarHBondContact O-N 3.44Å
196	Y	31.1	Very low	42.4	Very low	209 Å²	209	121.4 Å²	121.4	82%	0.82	70%	0.704	S	S	*	*			trans	-59.7	95.7	159.3	-69.2	-86.2	0	0	0	105.6	I194 N198	I194-Y196 PolarHBondContact O-N 3.25Å; I194-Y196 VanDerWaalsContact O-N 3.1Å; Y196-N198 PolarHBondContact O-N 3.29Å
197	L	32.6	Very low	41.6	Very low	155 Å²	155	122.8 Å²	122.8	81%	0.812	71%	0.707	S	S	*	*			trans	-55.8	110.2	162.6	-86.3	156	0	0	0	105.3	S195 C199	S195-L197 PolarHBondContact O-N 3.44Å; L197-C199 PolarHBondContact O-N 3.06Å
198	N	32.3	Very low	40.1	Very low	160 Å²	160	130.1 Å²	130.1	86%	0.856	75%	0.749	S	S	*	*			trans	-53.5	95	161.8	-89.6	-17.5	0	0	0	107.4	Y196 C200	Y196-N198 PolarHBondContact O-N 3.29Å; N198-C200 VanDerWaalsContact C-N 3.26Å; N198-C200 PolarHBondContact O-N 3.07Å; N198-C200 VanDerWaalsContact O-N 3.14Å
199	C	36.2	Very low	38.5	Very low	126 Å²	126	134.6 Å²	134.6	85%	0.851	77%	0.773	S	S	*	*			trans	-84.5	78.8	169.6	-154.8	0	0	0	0	107.1	L197	L197-C199 PolarHBondContact O-N 3.06Å
200	C	39.2	Very low	36.9	Very low	125 Å²	125	140.1 Å²	140.1	85%	0.845	79%	0.786	S	S	*	*			trans	-152.2	75.6	166.5	-89.6	0	0	0	0	108.8	N198	N198-C200 VanDerWaalsContact C-N 3.26Å; N198-C200 PolarHBondContact O-N 3.07Å; N198-C200 VanDerWaalsContact O-N 3.14Å
201	S	36.3	Very low	35	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	83%	0.825	S	S	*	*			trans	-163.2	91.2	150.8	53.4	0	0	0	0	108.1
202	L	37.5	Very low	34.4	Very low	165 Å²	165	153 Å²	153	86%	0.864	84%	0.837	S	S	*	*			trans	-158.4	95.9	153.7	-100.9	163.6	0	0	0	108.4
203	N	33.9	Very low	34.3	Very low	232 Å²	232	149.1 Å²	149.1	100%	1.241	84%	0.835	S	S	*	*			trans	131.2	0	148.5	-67.9	-7.2	0	0	0	113.2

Retrieved 203 of 203 residues in 222.4 ms (Link to these results)

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