RB39B_HUMAN Loading...

Ras-related protein Rab-39B

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 fusion¹. RAB39B is involved in autophagy and may function in autophagosome formation^2,3. Binds downstream effector PICK1 to ensure selectively GRIA2 exit from the endoplasmic reticulum to the Golgi and to regulate AMPAR composition at the post-synapses and thus synaptic transmission (By similarity). May regulate the homeostasis of SNCA/alpha-synuclein (By similarity).

AlphaFold DB , UniProt , Accession Q96DA2, Species HUMAN (Homo sapiens, Human), Gene RAB39B, Length 213 aa.

Structure Viewer

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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	49.5	Very low	85	Confident	239 Å²	239	69.4 Å²	69.4	100%	1.177	34%	0.337	S	S	*	.				0	120	0	-94	177.9	-93.4	0	0	107
2	E	60.9	Low	85.9	Confident	188 Å²	188	63.6 Å²	63.6	88%	0.879	31%	0.309	S	S	*	.			trans	-62.4	138	167.5	-78.2	179.3	158.5	0	0	108.9	I4	E2-I4 PolarHBondContact O-N 3.35Å
3	A	68	Low	86.8	Confident	32 Å²	32	58.8 Å²	58.8	26%	0.264	29%	0.285	S	S	.	.			trans	-65.3	126.8	177.6	0	0	0	0	0	109.4	W5 G192 F193	A3-W5 WeakPolarHBondContact CB-O 3.4Å; A3-W5 PolarHBondContact O-N 3.47Å; A3-G192 WeakPolarHBondContact CB-O 3.22Å; A3-F193 HydrophobicContact CB-CD1 3.85Å; A3-F193 HydrophobicContact CB-CD2 4.45Å; A3-F193 HydrophobicContact CB-CE1 3.89Å; A3-F193 HydrophobicContact CB-CE2 4.48Å; A3-F193 HydrophobicContact CB-CG 4.14Å; A3-F193 HydrophobicContact CB-CZ 4.21Å
4	I	85.8	Confident	87.4	Confident	105 Å²	105	54.6 Å²	54.6	54%	0.538	27%	0.265	S	S	.	.	S	Bend	trans	-63.8	-22	179.9	-60.5	169.6	0	0	0	111.4	E2 L49	E2-I4 PolarHBondContact O-N 3.35Å; I4-L49 HydrophobicContact CG2-CD1 3.88Å
5	W	91.1	Very high	88	Confident	66 Å²	66	50.9 Å²	50.9	25%	0.25	25%	0.247	C	C	.	.			trans	-139.8	152.8	176.6	58	85.7	0	0	0	110.8	A3 L49 R57 K59 G192	A3-W5 WeakPolarHBondContact CB-O 3.4Å; A3-W5 PolarHBondContact O-N 3.47Å; W5-L49 HydrophobicContact CB-CD2 3.73Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; W5-R57 CarbonylContact C-O 3.53Å; W5-R57 VanDerWaalsContact CA-O 3.29Å; W5-R57 WeakPolarHBondContact CA-O 3.22Å; W5-R57 HydrophobicContact CB-CB 4.41Å; W5-R57 WeakPolarHBondContact CB-O 3.16Å; W5-K59 HydrophobicContact CB-CB 4.27Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.03Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.24Å; W5-K59 HydrophobicContact CG-CB 3.79Å; W5-K59 HydrophobicContact CH2-CD 4.08Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.27Å; W5-G192 WeakPolarHBondContact O-CA 3.27Å
6	L	93.5	Very high	88.4	Confident	46 Å²	46	49.1 Å²	49.1	24%	0.241	24%	0.239	C	C	.	.	S	Bend	trans	-79.3	-49	178.1	178.6	62.6	0	0	0	111.3	K56 R57 I58 Y172 G192 F193	L6-K56 HydrophobicContact CD2-CD 4.48Å; L6-R57 PolarHBondContact N-O 3.06Å; L6-I58 HydrophobicContact CB-CD1 4.47Å; L6-Y172 HydrophobicContact CD2-CE2 3.92Å; L6-G192 PolarHBondContact O-N 2.8Å; L6-F193 HydrophobicContact CD1-CE2 3.84Å
7	Y	96.2	Very high	88.6	Confident	50 Å²	50	49.1 Å²	49.1	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.8	178.1	-59	-65.5	0	0	0	111.5	F9 I58 K59 Y172 V175 I182 V189 K190	Y7-F9 HydrophobicContact CD2-CE1 4.36Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.12Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 HydrophobicContact CG-CD1 4.47Å; Y7-I58 WeakPolarHBondContact O-CA 3.32Å; Y7-K59 PolarHBondContact O-N 3.45Å; Y7-Y172 HydrophobicContact CD2-CD2 4.19Å; Y7-Y172 HydrophobicContact CD2-CE2 4.39Å; Y7-Y172 HydrophobicContact CE2-CD2 4.24Å; Y7-Y172 HydrophobicContact CE2-CE2 4.14Å; Y7-V175 HydrophobicContact CD2-CG1 4.31Å; Y7-V175 HydrophobicContact CE1-CG1 4.2Å; Y7-V175 HydrophobicContact CE2-CG1 3.77Å; Y7-I182 HydrophobicContact CD1-CD1 4.13Å; Y7-I182 HydrophobicContact CE1-CD1 3.95Å; Y7-V189 HydrophobicContact CD1-CG1 4.16Å; Y7-V189 HydrophobicContact CG-CG1 4.43Å; Y7-K190 CarbonylContact C-O 3.46Å; Y7-K190 VanDerWaalsContact CA-O 3.22Å; Y7-K190 WeakPolarHBondContact CA-O 3.14Å
8	Q	97	Very high	88.9	Confident	17 Å²	17	52.3 Å²	52.3	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	165	-178	-176.8	-88.3	0	0	108.8	K59 Q61 V189 K190	Q8-K59 CarbonylContact C-O 3.47Å; Q8-K59 WeakPolarHBondContact CA-O 3.46Å; Q8-K59 HydrophobicContact CB-CB 4.24Å; Q8-K59 HydrophobicContact CG-CB 4.2Å; Q8-K59 HydrophobicContact CG-CD 4.3Å; Q8-K59 HydrophobicContact CG-CG 4.23Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; Q8-Q61 VanDerWaalsContact CD-CD 3.42Å; Q8-Q61 HydrophobicContact CG-CG 3.92Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.15Å; Q8-V189 WeakPolarHBondContact O-CA 3.16Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 2.76Å; Q8-K190 PolarHBondContact O-N 3.3Å
9	F	98	Very high	89.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	175.6	-62.9	-16.3	0	0	0	110.7	Y7 L11 I58 K59 L60 Q61 V83 T168 I171 V175 G188 V189	Y7-F9 HydrophobicContact CD2-CE1 4.36Å; Y7-F9 HydrophobicContact CD2-CZ 4.46Å; Y7-F9 HydrophobicContact CG-CE1 4.12Å; F9-L11 HydrophobicContact CB-CD2 4.28Å; F9-I58 HydrophobicContact CB-CG2 4.38Å; F9-I58 HydrophobicContact CD1-CG2 4.21Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE1-CG2 4.37Å; F9-I58 HydrophobicContact CE2-CG1 4.47Å; F9-I58 HydrophobicContact CE2-CG2 3.72Å; F9-I58 HydrophobicContact CG-CG2 3.78Å; F9-I58 HydrophobicContact CZ-CD1 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.13Å; F9-K59 PolarHBondContact N-O 2.95Å; F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; F9-Q61 PolarHBondContact O-N 3.29Å; F9-V83 HydrophobicContact CB-CG1 3.9Å; F9-V83 HydrophobicContact CG-CG1 4.3Å; F9-T168 HydrophobicContact CD2-CG2 4.05Å; F9-T168 HydrophobicContact CE2-CG2 4.05Å; F9-I171 HydrophobicContact CD1-CG2 4.18Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.3Å; F9-I171 HydrophobicContact CD2-CG2 3.69Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.79Å; F9-I171 HydrophobicContact CE2-CG2 3.53Å; F9-I171 HydrophobicContact CG-CG2 4.04Å; F9-I171 HydrophobicContact CZ-CB 4.38Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; F9-V175 HydrophobicContact CE1-CG2 4.22Å; F9-V175 HydrophobicContact CZ-CG2 4.34Å; F9-G188 WeakPolarHBondContact CA-O 3.41Å; F9-V189 HydrophobicContact CD1-CB 4.39Å; F9-V189 HydrophobicContact CD1-CG1 3.99Å; F9-V189 HydrophobicContact CD1-CG2 3.93Å; F9-V189 HydrophobicContact CE1-CG1 3.77Å; F9-V189 HydrophobicContact CE1-CG2 4.09Å
10	R	97.2	Very high	89.6	Confident	18 Å²	18	47.7 Å²	47.7	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.5	173.2	-174.2	163.9	174.6	135.1	6.4	110.2	N81 S82 V83 G84 E187 G188	R10-N81 WeakPolarHBondContact CB-O 3.5Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.49Å; R10-N81 WeakPolarHBondContact CG-O 3.41Å; R10-S82 WeakPolarHBondContact O-CA 3.45Å; R10-V83 WeakPolarHBondContact O-CG1 3.28Å; R10-V83 PolarHBondContact O-N 2.68Å; R10-G84 PolarHBondContact O-N 3.09Å; R10-E187 WeakPolarHBondContact CB-O 3.37Å; R10-E187 IonicContact CZ-OE2 3.09Å; R10-E187 IonicContact NH1-OE2 3.97Å; R10-E187 PolarHBondContact NH1-OE2 2.72Å; R10-G188 PolarHBondContact N-O 2.8Å
11	L	98	Very high	89.9	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.2	-179.6	-53.1	-173.1	0	0	0	110.7	F9 L60 Q61 I62 W63 G84 F164 L167 I171	F9-L11 HydrophobicContact CB-CD2 4.28Å; L11-L60 HydrophobicContact CD1-CB 4.29Å; L11-L60 HydrophobicContact CD1-CD1 3.93Å; L11-L60 HydrophobicContact CD1-CD2 3.93Å; L11-L60 HydrophobicContact CD1-CG 4.27Å; L11-L60 HydrophobicContact CG-CD2 4.39Å; L11-Q61 PolarHBondContact N-O 2.98Å; L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.43Å; L11-W63 PolarHBondContact O-N 3.03Å; L11-G84 CarbonylContact C-O 3.51Å; L11-G84 VanDerWaalsContact CA-O 3.25Å; L11-G84 WeakPolarHBondContact CA-O 3.19Å; L11-F164 HydrophobicContact CD1-CD1 4.39Å; L11-L167 HydrophobicContact CD1-CD2 4.16Å; L11-L167 HydrophobicContact CD2-CD2 4.08Å; L11-L167 HydrophobicContact CD2-CG 4.46Å; L11-I171 HydrophobicContact CD2-CD1 3.7Å
12	I	96.2	Very high	92	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.9	171.5	-161.7	175.4	0	0	0	110.9	I14 W63 T65 Y79 G84 G85 L86 I116	I12-I14 HydrophobicContact CD1-CG2 3.88Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I12-I14 HydrophobicContact CG2-CG2 4.26Å; I12-W63 HydrophobicContact CG1-CB 4.25Å; I12-T65 HydrophobicContact CD1-CG2 3.73Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; I12-Y79 HydrophobicContact CD1-CD1 3.37Å; I12-Y79 HydrophobicContact CD1-CE1 3.54Å; I12-G84 PolarHBondContact N-O 3.03Å; I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.33Å; I12-L86 PolarHBondContact O-N 2.86Å; I12-I116 HydrophobicContact CG2-CD1 3.87Å
13	V	96.9	Very high	93.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.3	174.7	-173.5	0	0	0	0	108.1	K21 I25 I62 W63 T65 L86 L88	V13-K21 HydrophobicContact CG1-CB 3.83Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.99Å; V13-I25 HydrophobicContact CB-CD1 3.75Å; V13-I25 HydrophobicContact CB-CG1 4.38Å; V13-I25 HydrophobicContact CG1-CD1 4.12Å; V13-I25 HydrophobicContact CG1-CG1 4.46Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.84Å; V13-I62 HydrophobicContact CG2-CG2 3.78Å; V13-W63 PolarHBondContact N-O 2.94Å; V13-T65 PolarHBondContact O-OG1 2.78Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.38Å; V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.09Å
14	I	95.7	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	164.2	-172.1	60.8	173.8	0	0	0	111.2	I12 T65 Y79 L86 L87 L88 W103 T107 F118	I12-I14 HydrophobicContact CD1-CG2 3.88Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I12-I14 HydrophobicContact CG2-CG2 4.26Å; I14-T65 HydrophobicContact CG2-CG2 4.37Å; I14-Y79 HydrophobicContact CG2-CE1 4Å; I14-L86 PolarHBondContact N-O 3.24Å; I14-L87 HydrophobicContact CD1-CD1 3.88Å; I14-L87 HydrophobicContact CG1-CB 4.41Å; I14-L87 HydrophobicContact CG1-CD1 3.75Å; I14-L88 PolarHBondContact O-N 3.19Å; I14-W103 HydrophobicContact CB-CE3 4.07Å; I14-W103 HydrophobicContact CD1-CB 4.24Å; I14-T107 HydrophobicContact CD1-CG2 4.42Å; I14-T107 WeakPolarHBondContact CD1-OG1 3.41Å; I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.8Å; I14-F118 HydrophobicContact CG1-CE1 4.25Å
15	G	95.8	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.			trans	135.7	170	-174	0	0	0	0	0	111.2	K21 G67 L88 W103	G15-K21 PolarHBondContact O-NZ 2.76Å; G15-G67 WeakPolarHBondContact O-CA 3.42Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; G15-W103 VanDerWaalsContact O-CZ2 3.27Å; G15-W103 WeakPolarHBondContact O-CZ2 3.24Å
16	D	95.1	Very high	95.9	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.112	12%	0.119	C	C	.	.	S	Bend	trans	-55.5	162.2	-175.6	-82.4	8.2	0	0	0	113.6	V19 K21 S96 N99 W103	D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.29Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; D16-K21 PolarHBondContact O-NZ 3.44Å; D16-S96 WeakPolarHBondContact OD2-CA 3.35Å; D16-N99 WeakPolarHBondContact OD1-CB 3.31Å; D16-N99 PolarHBondContact OD1-ND2 3.16Å; D16-N99 PolarHBondContact OD2-ND2 2.8Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å
17	S	92.2	Very high	96.1	Very high	50 Å²	50	22.9 Å²	22.9	35%	0.35	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	146.5	167.1	56.9	0	0	0	0	110.2	V19 G67	S17-V19 PolarHBondContact O-N 2.97Å; S17-V19 VanDerWaalsContact O-N 3.14Å; S17-G67 PolarHBondContact N-O 2.8Å; S17-G67 VanDerWaalsContact N-O 3.09Å
18	T	92.4	Very high	96.2	Very high	106 Å²	106	20.6 Å²	20.6	65%	0.65	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-0.4	175	76.5	0	0	0	0	116.9	G20 K124	T18-G20 PolarHBondContact O-N 2.92Å; T18-K124 WeakPolarHBondContact O-CE 3.48Å; T18-K124 PolarHBondContact O-NZ 3.03Å
19	V	96.1	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-66.2	-17	174.5	-55.7	0	0	0	0	113.2	D16 S17 K21 L88 D90 H123 K124	D16-V19 HydrophobicContact CB-CG1 3.71Å; D16-V19 VanDerWaalsContact O-CG2 3.29Å; D16-V19 WeakPolarHBondContact O-CG2 3.17Å; S17-V19 PolarHBondContact O-N 2.97Å; S17-V19 VanDerWaalsContact O-N 3.14Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; V19-L88 HydrophobicContact CG2-CB 3.81Å; V19-D90 HydrophobicContact CB-CB 4.21Å; V19-D90 HydrophobicContact CG1-CB 4.21Å; V19-H123 PolarHBondContact O-CD2 2.81Å; V19-K124 WeakPolarHBondContact O-CE 3.3Å
20	G	95.9	Very high	96	Very high	13 Å²	13	25.2 Å²	25.2	13%	0.134	13%	0.133	C	C	.	.			trans	102.5	25.6	173.8	0	0	0	0	0	115.8	T18 S22 C23 L24	T18-G20 PolarHBondContact O-N 2.92Å; G20-S22 PolarHBondContact O-N 2.95Å; G20-C23 WeakPolarHBondContact O-CB 3.34Å; G20-C23 PolarHBondContact O-N 2.77Å; G20-L24 PolarHBondContact O-N 2.76Å
21	K	95.6	Very high	95.8	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-50.6	-56.8	178.2	-56.6	-170.6	-66.2	-75.8	0	113	V13 G15 D16 V19 C23 L24 I25 T65 G67 L88	V13-K21 HydrophobicContact CG1-CB 3.83Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.99Å; G15-K21 PolarHBondContact O-NZ 2.76Å; D16-K21 PolarHBondContact O-NZ 3.44Å; V19-K21 HydrophobicContact CG2-CD 4.43Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.19Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.38Å; K21-I25 PolarHBondContact O-N 3.49Å; K21-T65 WeakPolarHBondContact CE-O 3.1Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; K21-L88 HydrophobicContact CB-CD2 4.31Å; K21-L88 HydrophobicContact CG-CB 4.42Å; K21-L88 HydrophobicContact CG-CD2 3.94Å
22	S	95.1	Very high	95.4	Very high	16 Å²	16	35 Å²	35	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-39.3	179.2	-43	0	0	0	0	112.5	G20 I25 R26 T40 D64	G20-S22 PolarHBondContact O-N 2.95Å; S22-I25 PolarHBondContact O-N 2.75Å; S22-R26 WeakPolarHBondContact O-CB 3.33Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.07Å; S22-T40 PolarHBondContact OG-OG1 3.41Å; S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.23Å; S22-D64 PolarHBondContact OG-OD2 2.86Å
23	C	96.1	Very high	95	Very high	18 Å²	18	38.4 Å²	38.4	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-43.8	176.5	-60.1	0	0	0	0	111.4	G20 K21 R27 F33 A154	G20-C23 WeakPolarHBondContact O-CB 3.34Å; G20-C23 PolarHBondContact O-N 2.77Å; K21-C23 VanDerWaalsContact C-N 3.32Å; K21-C23 PolarHBondContact O-N 3.19Å; C23-R27 WeakPolarHBondContact O-CB 3.2Å; C23-R27 PolarHBondContact O-N 3.08Å; C23-F33 HydrophobicContact CB-CD2 4.27Å; C23-F33 HydrophobicContact CB-CE2 4.24Å; C23-A154 HydrophobicContact CB-CB 3.94Å
24	L	97.8	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-45.2	177.7	-174.4	69.4	0	0	0	111.1	G20 K21 R27 F28 L86 L88 V121 T152 V160 F164	G20-L24 PolarHBondContact O-N 2.76Å; K21-L24 PolarHBondContact O-N 3.33Å; L24-R27 PolarHBondContact O-N 3.45Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.12Å; L24-L86 HydrophobicContact CD2-CD1 4.27Å; L24-L88 HydrophobicContact CB-CD2 4.4Å; L24-L88 HydrophobicContact CD2-CD1 4.36Å; L24-L88 HydrophobicContact CD2-CD2 3.79Å; L24-L88 HydrophobicContact CD2-CG 4.37Å; L24-V121 HydrophobicContact CD2-CG1 4.24Å; L24-T152 HydrophobicContact CD1-CG2 4.45Å; L24-V160 HydrophobicContact CD1-CB 4.25Å; L24-V160 HydrophobicContact CD1-CG1 3.95Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.1Å
25	I	97.3	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-45.2	179.4	-63.9	163.8	0	0	0	111.1	V13 K21 S22 F28 T29 F46 I62 D64 F164	V13-I25 HydrophobicContact CB-CD1 3.75Å; V13-I25 HydrophobicContact CB-CG1 4.38Å; V13-I25 HydrophobicContact CG1-CD1 4.12Å; V13-I25 HydrophobicContact CG1-CG1 4.46Å; V13-I25 HydrophobicContact CG2-CD1 3.59Å; V13-I25 HydrophobicContact CG2-CG1 3.84Å; K21-I25 VanDerWaalsContact O-CG1 3.31Å; K21-I25 WeakPolarHBondContact O-CG1 3.38Å; K21-I25 PolarHBondContact O-N 3.49Å; S22-I25 PolarHBondContact O-N 2.75Å; I25-F28 CarbonylContact O-C 3.52Å; I25-F28 WeakPolarHBondContact O-CB 3.25Å; I25-F28 PolarHBondContact O-N 3.29Å; I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 3.49Å; I25-T29 PolarHBondContact O-OG1 2.95Å; I25-F46 HydrophobicContact CG2-CB 3.92Å; I25-F46 HydrophobicContact CG2-CD1 4.04Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE1 4.44Å; I25-F46 HydrophobicContact CG2-CE2 3.92Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.39Å; I25-I62 HydrophobicContact CD1-CG2 4.04Å; I25-I62 HydrophobicContact CG1-CG2 4.05Å; I25-I62 HydrophobicContact CG2-CG2 4.08Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; I25-D64 WeakPolarHBondContact CD1-OD1 3.3Å; I25-F164 HydrophobicContact CG1-CZ 4.23Å
26	R	95.9	Very high	92.2	Very high	96 Å²	96	55.1 Å²	55.1	36%	0.362	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-36.9	177.6	-71.8	179.7	-177.3	-85.8	3	111.9	S22 F28 T29 E30 G31 R32 F46	S22-R26 WeakPolarHBondContact O-CB 3.33Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.42Å; S22-R26 PolarHBondContact O-N 3.07Å; R26-F28 VanDerWaalsContact C-N 3.3Å; R26-F28 PolarHBondContact O-N 3.2Å; R26-T29 PolarHBondContact O-N 2.93Å; R26-E30 IonicContact NH1-OE1 3.65Å; R26-E30 PolarHBondContact NH1-OE1 2.96Å; R26-E30 IonicContact NH1-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CA 3.32Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 3.25Å; R26-G31 PolarHBondContact O-N 3.07Å; R26-R32 CarbonylContact C-O 3.55Å; R26-F46 HydrophobicContact CG-CE1 3.97Å; R26-F46 HydrophobicContact CG-CZ 4.14Å
27	R	97.3	Very high	91.1	Very high	61 Å²	61	57.3 Å²	57.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-42.6	172.4	179.2	60	77.4	174.8	19.6	111	C23 L24 G31 R32 A154 R155 V160	C23-R27 WeakPolarHBondContact O-CB 3.2Å; C23-R27 PolarHBondContact O-N 3.08Å; L24-R27 PolarHBondContact O-N 3.45Å; R27-G31 PolarHBondContact NH1-O 3.01Å; R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 3.37Å; R27-G31 VanDerWaalsContact O-N 3.16Å; R27-R32 WeakPolarHBondContact CA-O 3.34Å; R27-R32 PolarHBondContact N-O 3.45Å; R27-R32 VanDerWaalsContact N-O 3.14Å; R27-A154 HydrophobicContact CB-CB 4.19Å; R27-A154 PolarHBondContact NE-O 3.13Å; R27-A154 PolarHBondContact NH2-O 2.73Å; R27-A154 VanDerWaalsContact NH2-O 3.17Å; R27-R155 PolarHBondContact NH2-O 3.33Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.02Å; R27-V160 HydrophobicContact CG-CG2 3.97Å
28	F	98.1	Very high	90.5	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.013	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-45.1	177	178.5	-108.7	0	0	0	112.6	L24 I25 R26 R48 V50 L60 I62 V160 E161 F164	L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.12Å; I25-F28 CarbonylContact O-C 3.52Å; I25-F28 WeakPolarHBondContact O-CB 3.25Å; I25-F28 PolarHBondContact O-N 3.29Å; R26-F28 VanDerWaalsContact C-N 3.3Å; R26-F28 PolarHBondContact O-N 3.2Å; F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.29Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 VanDerWaalsContact O-CZ 3.22Å; F28-R48 PolarHBondContact O-NE 3.2Å; F28-R48 PolarHBondContact O-NH1 2.88Å; F28-V50 HydrophobicContact CZ-CG2 3.74Å; F28-L60 HydrophobicContact CE1-CD1 4.14Å; F28-L60 HydrophobicContact CZ-CD1 4.05Å; F28-I62 HydrophobicContact CD1-CD1 3.79Å; F28-I62 HydrophobicContact CE1-CD1 3.69Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.39Å; F28-E161 VanDerWaalsContact CE2-OE2 3.31Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.39Å; F28-F164 HydrophobicContact CB-CD2 3.87Å; F28-F164 HydrophobicContact CB-CE2 3.56Å; F28-F164 HydrophobicContact CB-CZ 4.16Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 3.98Å; F28-F164 HydrophobicContact CD1-CE2 3.98Å; F28-F164 AromaticContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 3.97Å; F28-F164 AromaticContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CE2 4.03Å; F28-F164 AromaticContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CE1-CB 4Å; F28-F164 AromaticContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE2-CB 3.42Å; F28-F164 VanDerWaalsContact CE2-CB 3.42Å; F28-F164 AromaticContact CE2-CD2 3.82Å; F28-F164 HydrophobicContact CE2-CD2 3.82Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CB 4.46Å; F28-F164 HydrophobicContact CG-CD1 4.38Å; F28-F164 AromaticContact CG-CD2 3.41Å; F28-F164 HydrophobicContact CG-CD2 3.41Å; F28-F164 VanDerWaalsContact CG-CD2 3.41Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CZ 4.16Å; F28-F164 HydrophobicContact CZ-CB 3.44Å; F28-F164 VanDerWaalsContact CZ-CB 3.44Å; F28-F164 HydrophobicContact CZ-CD1 4.23Å; F28-F164 HydrophobicContact CZ-CD2 4.21Å; F28-F164 AromaticContact CZ-CG 3.72Å; F28-F164 HydrophobicContact CZ-CG 3.72Å
29	T	96.6	Very high	90.1	Very high	34 Å²	34	60.8 Å²	60.8	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-90.6	-33.5	-169.7	54.2	0	0	0	0	113.8	I25 R26 F46 R48 I62	I25-T29 HydrophobicContact CG2-CG2 4.21Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 3.49Å; I25-T29 PolarHBondContact O-OG1 2.95Å; R26-T29 PolarHBondContact O-N 2.93Å; T29-F46 HydrophobicContact CG2-CB 4Å; T29-R48 HydrophobicContact CG2-CB 4.21Å; T29-I62 HydrophobicContact CG2-CD1 4.01Å
30	E	94.7	Very high	89.4	Confident	80 Å²	80	61.9 Å²	61.9	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-114.1	-9.3	-173.5	-55.4	170.2	-171.6	0	0	112.3	R26 R32	R26-E30 IonicContact NH1-OE1 3.65Å; R26-E30 PolarHBondContact NH1-OE1 2.96Å; R26-E30 IonicContact NH1-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CA 3.32Å; R26-E30 VanDerWaalsContact O-CB 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 3.25Å; E30-R32 HydrophobicContact CB-CB 4.31Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 3.24Å
31	G	93.3	Very high	88.5	Confident	47 Å²	47	66 Å²	66	49%	0.485	36%	0.357	S	S	.	.	S	Bend	trans	69.6	11.9	-173.5	0	0	0	0	0	113.6	R26 R27	R26-G31 PolarHBondContact O-N 3.07Å; R27-G31 PolarHBondContact NH1-O 3.01Å; R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.4Å; R27-G31 PolarHBondContact O-N 3.37Å; R27-G31 VanDerWaalsContact O-N 3.16Å
32	R	89.3	Confident	87.8	Confident	178 Å²	178	66 Å²	66	67%	0.672	36%	0.359	S	S	*	.			trans	-110.7	150.2	-172.5	-67.6	175	-176.1	-176.8	-0.2	112.2	R26 R27 E30	R26-R32 CarbonylContact C-O 3.55Å; R27-R32 WeakPolarHBondContact CA-O 3.34Å; R27-R32 PolarHBondContact N-O 3.45Å; R27-R32 VanDerWaalsContact N-O 3.14Å; E30-R32 HydrophobicContact CB-CB 4.31Å; E30-R32 HydrophobicContact CB-CG 4.31Å; E30-R32 PolarHBondContact O-N 3.24Å
33	F	88	Confident	87.4	Confident	72 Å²	72	66.4 Å²	66.4	32%	0.316	36%	0.361	S	S	.	.			trans	-128.5	130.5	169.5	172.2	-102.8	0	0	0	109.2	C23 Q35 A154 R155	C23-F33 HydrophobicContact CB-CD2 4.27Å; C23-F33 HydrophobicContact CB-CE2 4.24Å; F33-Q35 HydrophobicContact CE1-CB 4.02Å; F33-Q35 HydrophobicContact CZ-CB 4.38Å; F33-A154 HydrophobicContact CD2-CB 3.83Å; F33-A154 HydrophobicContact CE2-CB 4.16Å; F33-R155 HydrophobicContact CD1-CB 4.4Å; F33-R155 HydrophobicContact CD1-CG 4.28Å; F33-R155 HydrophobicContact CE1-CB 4.02Å; F33-R155 HydrophobicContact CE1-CG 3.85Å; F33-R155 HydrophobicContact CE2-CB 4.19Å; F33-R155 HydrophobicContact CZ-CB 3.91Å; F33-R155 HydrophobicContact CZ-CG 4.18Å
34	A	82.7	Confident	87.1	Confident	53 Å²	53	68.8 Å²	68.8	44%	0.438	37%	0.372	S	S	.	.			trans	-115.9	124.5	169.8	0	0	0	0	0	108	V36	A34-V36 VanDerWaalsContact C-N 3.35Å
35	Q	75.3	Confident	86.9	Confident	174 Å²	174	73.3 Å²	73.3	81%	0.813	39%	0.392	S	S	*	.	S	Bend	trans	-69.2	-36.1	-179.2	-175.2	174.4	3.1	0	0	111.8	F33	F33-Q35 HydrophobicContact CE1-CB 4.02Å; F33-Q35 HydrophobicContact CZ-CB 4.38Å
36	V	72	Confident	86.8	Confident	124 Å²	124	74.3 Å²	74.3	75%	0.752	40%	0.397	S	S	*	.			trans	-105	123.9	174.6	-175.6	0	0	0	0	107.6	A34	A34-V36 VanDerWaalsContact C-N 3.35Å
37	S	71.2	Confident	86.9	Confident	67 Å²	67	72.3 Å²	72.3	47%	0.469	40%	0.397	S	S	.	.			trans	-134.6	134.9	171.4	46.9	0	0	0	0	108.1
38	D	80.7	Confident	86.8	Confident	145 Å²	145	72.8 Å²	72.8	78%	0.775	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-62.1	147.5	171.6	-68.6	-39.4	0	0	0	109.4	T40	D38-T40 PolarHBondContact O-N 3.38Å
39	P	83.4	Confident	86.7	Confident	84 Å²	84	75.3 Å²	75.3	55%	0.545	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-57.4	128.2	176.1	-22	32.2	0	0	0	110.9	V41	P39-V41 PolarHBondContact O-N 3.09Å; P39-V41 VanDerWaalsContact O-N 3.15Å
40	T	80.4	Confident	86.7	Confident	24 Å²	24	74.1 Å²	74.1	15%	0.147	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.1	120.2	174.3	-43	0	0	0	0	110.1	S22 D38 A66	S22-T40 PolarHBondContact OG-OG1 3.41Å; D38-T40 PolarHBondContact O-N 3.38Å; T40-A66 VanDerWaalsContact O-CB 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.24Å
41	V	78	Confident	86.7	Confident	100 Å²	100	75.7 Å²	75.7	61%	0.606	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-100.5	118.3	172.8	178.3	0	0	0	0	107.5	P39 F71	P39-V41 PolarHBondContact O-N 3.09Å; P39-V41 VanDerWaalsContact O-N 3.15Å; V41-F71 HydrophobicContact CG1-CE1 3.99Å; V41-F71 HydrophobicContact CG1-CE2 4.41Å; V41-F71 HydrophobicContact CG1-CZ 3.9Å; V41-F71 HydrophobicContact CG2-CE2 4.23Å; V41-F71 HydrophobicContact CG2-CZ 4.21Å
42	G	81.4	Confident	86.7	Confident	9 Å²	9	74 Å²	74	9%	0.093	39%	0.392	C	S	.	.	S	Bend	trans	77.8	-129.4	-176	0	0	0	0	0	112.8	A66	G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.32Å; G42-A66 PolarHBondContact O-N 2.99Å
43	V	85.4	Confident	86.7	Confident	25 Å²	25	68.4 Å²	68.4	15%	0.152	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.7	-173.7	-175.4	0	0	0	0	110.6	W63 D64 I74 Y78	V43-W63 HydrophobicContact CG1-CB 4.05Å; V43-W63 HydrophobicContact CG1-CD2 4.38Å; V43-W63 HydrophobicContact CG1-CE3 3.56Å; V43-W63 HydrophobicContact CG1-CZ3 4.39Å; V43-D64 CarbonylContact C-O 3.39Å; V43-D64 WeakPolarHBondContact CA-O 3.35Å; V43-D64 WeakPolarHBondContact CG1-O 3.5Å; V43-I74 HydrophobicContact CG2-CG2 4.26Å; V43-Y78 HydrophobicContact CB-CD2 4.12Å; V43-Y78 HydrophobicContact CB-CE1 4.29Å; V43-Y78 HydrophobicContact CB-CE2 3.86Å; V43-Y78 HydrophobicContact CB-CG 4.44Å; V43-Y78 HydrophobicContact CG1-CD1 4.06Å; V43-Y78 HydrophobicContact CG1-CD2 4.29Å; V43-Y78 HydrophobicContact CG1-CE1 4.17Å; V43-Y78 HydrophobicContact CG1-CE2 4.39Å; V43-Y78 HydrophobicContact CG1-CG 4.13Å; V43-Y78 HydrophobicContact CG2-CD2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å; V43-Y78 HydrophobicContact CG2-CG 4.09Å
44	D	91.2	Very high	86.9	Confident	69 Å²	69	71 Å²	71	37%	0.369	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.1	174	-75.7	-29.5	0	0	0	111	F46 D64	D44-F46 HydrophobicContact CB-CD2 4.48Å; D44-F46 HydrophobicContact CB-CE2 3.7Å; D44-F46 HydrophobicContact CB-CZ 4.31Å; D44-D64 HydrophobicContact CB-CB 4.16Å; D44-D64 PolarHBondContact N-O 3.36Å; D44-D64 PolarHBondContact O-N 2.87Å
45	F	92.7	Very high	87.1	Confident	95 Å²	95	71.8 Å²	71.8	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129	-179.3	172.2	-99.3	0	0	0	111.6	Q61 W63	F45-Q61 HydrophobicContact CE2-CB 3.75Å; F45-Q61 HydrophobicContact CE2-CG 3.69Å; F45-Q61 HydrophobicContact CZ-CB 4.39Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å; F45-W63 HydrophobicContact CB-CE3 4.24Å; F45-W63 HydrophobicContact CB-CH2 4.44Å; F45-W63 HydrophobicContact CB-CZ3 4.02Å; F45-W63 HydrophobicContact CD2-CD2 4.24Å; F45-W63 AromaticContact CD2-CE2 3.92Å; F45-W63 HydrophobicContact CD2-CE3 4.37Å; F45-W63 HydrophobicContact CD2-CH2 4.1Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ3 4.32Å; F45-W63 HydrophobicContact CE2-CZ2 4.39Å
46	F	96.1	Very high	87.8	Confident	21 Å²	21	66.9 Å²	66.9	9%	0.092	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.9	173.5	-58.1	-98.3	0	0	0	110.7	I25 R26 T29 D44 I62 D64	I25-F46 HydrophobicContact CG2-CB 3.92Å; I25-F46 HydrophobicContact CG2-CD1 4.04Å; I25-F46 HydrophobicContact CG2-CD2 3.46Å; I25-F46 VanDerWaalsContact CG2-CD2 3.46Å; I25-F46 HydrophobicContact CG2-CE1 4.44Å; I25-F46 HydrophobicContact CG2-CE2 3.92Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.39Å; R26-F46 HydrophobicContact CG-CE1 3.97Å; R26-F46 HydrophobicContact CG-CZ 4.14Å; T29-F46 HydrophobicContact CG2-CB 4Å; D44-F46 HydrophobicContact CB-CD2 4.48Å; D44-F46 HydrophobicContact CB-CE2 3.7Å; D44-F46 HydrophobicContact CB-CZ 4.31Å; F46-I62 HydrophobicContact CB-CB 4.32Å; F46-I62 PolarHBondContact N-O 3.28Å; F46-I62 PolarHBondContact O-N 2.96Å; F46-D64 HydrophobicContact CD2-CB 4.22Å; F46-D64 HydrophobicContact CE2-CB 3.82Å
47	S	96.2	Very high	89	Confident	54 Å²	54	65.6 Å²	65.6	38%	0.378	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.6	176.5	177.4	0	0	0	0	110.9	K59 L60	S47-K59 WeakPolarHBondContact OG-CE 3.41Å; S47-L60 WeakPolarHBondContact CA-O 3.09Å; S47-L60 PolarHBondContact OG-O 3.22Å
48	R	96.4	Very high	90.2	Very high	71 Å²	71	62.4 Å²	62.4	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.8	172.9	-169.8	176.4	179.4	-160.9	-5.3	111.6	F28 T29 L60 E161	F28-R48 HydrophobicContact CE1-CB 3.98Å; F28-R48 HydrophobicContact CE1-CG 4.29Å; F28-R48 WeakPolarHBondContact O-CD 3.49Å; F28-R48 VanDerWaalsContact O-CZ 3.22Å; F28-R48 PolarHBondContact O-NE 3.2Å; F28-R48 PolarHBondContact O-NH1 2.88Å; T29-R48 HydrophobicContact CG2-CB 4.21Å; R48-L60 PolarHBondContact N-O 2.91Å; R48-L60 PolarHBondContact O-N 3.3Å; R48-E161 IonicContact CZ-OE1 3.21Å; R48-E161 IonicContact CZ-OE2 3.5Å; R48-E161 IonicContact NH1-OE1 2.76Å; R48-E161 PolarHBondContact NH1-OE1 3.36Å; R48-E161 IonicContact NH1-OE2 2.76Å; R48-E161 PolarHBondContact NH1-OE2 2.95Å; R48-E161 VanDerWaalsContact NH1-OE2 3.13Å; R48-E161 IonicContact NH2-OE1 2.76Å; R48-E161 PolarHBondContact NH2-OE1 3.27Å; R48-E161 IonicContact NH2-OE2 3.42Å
49	L	95.9	Very high	91	Very high	55 Å²	55	57.8 Å²	57.8	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.2	169.2	-75.7	164.8	0	0	0	109.8	I4 W5 I58 K59	I4-L49 HydrophobicContact CG2-CD1 3.88Å; W5-L49 HydrophobicContact CB-CD2 3.73Å; W5-L49 HydrophobicContact CD2-CD2 4.23Å; W5-L49 HydrophobicContact CE3-CD2 3.85Å; W5-L49 HydrophobicContact CG-CD2 4.22Å; L49-I58 WeakPolarHBondContact CA-O 3.4Å; L49-K59 HydrophobicContact CD2-CB 3.79Å; L49-K59 HydrophobicContact CD2-CG 4.34Å
50	V	96.3	Very high	91.7	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136	177	177.4	0	0	0	0	108.8	F28 I52 R57 I58 L60 T165	F28-V50 HydrophobicContact CZ-CG2 3.74Å; V50-I52 HydrophobicContact CG1-CG2 4.45Å; V50-R57 CarbonylContact O-C 3.55Å; V50-R57 VanDerWaalsContact O-CA 3.31Å; V50-R57 WeakPolarHBondContact O-CA 3.46Å; V50-I58 PolarHBondContact N-O 3.2Å; V50-I58 PolarHBondContact O-N 2.97Å; V50-L60 HydrophobicContact CB-CD1 4.44Å; V50-L60 HydrophobicContact CG2-CD1 3.58Å; V50-L60 HydrophobicContact CG2-CG 4.09Å; V50-T165 HydrophobicContact CG1-CG2 3.69Å
51	E	94.3	Very high	92.5	Very high	113 Å²	113	54 Å²	54	53%	0.528	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	172.8	-170.7	168.8	-165.5	0	0	109.6	E53 P54 G55 R57	E51-E53 VanDerWaalsContact CG-O 3.24Å; E51-E53 WeakPolarHBondContact CG-O 3.49Å; E51-P54 WeakPolarHBondContact OE1-CA 3.27Å; E51-G55 PolarHBondContact OE1-N 2.8Å; E51-R57 HydrophobicContact CB-CG 4.28Å; E51-R57 HydrophobicContact CG-CG 4.31Å
52	I	93.6	Very high	93.4	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-28.1	-175.3	50.8	164.7	0	0	0	113.1	V50 K56 I58 T168 R169 Y172	V50-I52 HydrophobicContact CG1-CG2 4.45Å; I52-K56 HydrophobicContact CG1-CB 4.08Å; I52-K56 VanDerWaalsContact CG1-O 3.25Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.93Å; I52-I58 HydrophobicContact CD1-CD1 3.88Å; I52-I58 HydrophobicContact CD1-CG1 3.67Å; I52-I58 HydrophobicContact CG1-CD1 4.48Å; I52-I58 HydrophobicContact CG1-CG1 3.92Å; I52-I58 HydrophobicContact CG2-CG1 4.13Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I52-R169 PolarHBondContact O-NH2 2.79Å; I52-Y172 HydrophobicContact CD1-CD1 3.37Å; I52-Y172 HydrophobicContact CD1-CD2 3.36Å; I52-Y172 HydrophobicContact CD1-CE1 3.65Å; I52-Y172 HydrophobicContact CD1-CE2 3.66Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å
53	E	90.4	Very high	94.1	Very high	61 Å²	61	50.6 Å²	50.6	29%	0.285	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.7	174.6	-62.7	175.5	-172	0	0	106.6	E51 G55 K56 Y172	E51-E53 VanDerWaalsContact CG-O 3.24Å; E51-E53 WeakPolarHBondContact CG-O 3.49Å; E53-G55 PolarHBondContact O-N 3.14Å; E53-G55 VanDerWaalsContact O-N 3.16Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.14Å; E53-K56 HydrophobicContact CB-CG 4.23Å; E53-K56 PolarHBondContact O-N 2.87Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.42Å; E53-K56 WeakPolarHBondContact OE2-CE 3.09Å; E53-K56 IonicContact OE2-NZ 2.93Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; E53-Y172 WeakPolarHBondContact OE1-CE1 3.32Å
54	P	90.9	Very high	94.5	Very high	126 Å²	126	49.4 Å²	49.4	82%	0.818	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	122.5	178.5	-28.5	35.9	0	0	0	112.5	E51 K56	E51-P54 WeakPolarHBondContact OE1-CA 3.27Å; P54-K56 PolarHBondContact O-N 3.45Å
55	G	87.4	Confident	94.3	Very high	71 Å²	71	46.1 Å²	46.1	73%	0.732	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-4.3	-178.1	0	0	0	0	0	115.2	E51 E53	E51-G55 PolarHBondContact OE1-N 2.8Å; E53-G55 PolarHBondContact O-N 3.14Å; E53-G55 VanDerWaalsContact O-N 3.16Å
56	K	90.9	Very high	94	Very high	71 Å²	71	41.6 Å²	41.6	31%	0.309	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	95.3	178.5	-58.5	-166.2	-169.6	165.8	0	110.5	L6 I52 E53 P54 Y172	L6-K56 HydrophobicContact CD2-CD 4.48Å; I52-K56 HydrophobicContact CG1-CB 4.08Å; I52-K56 VanDerWaalsContact CG1-O 3.25Å; I52-K56 WeakPolarHBondContact CG1-O 3.45Å; I52-K56 PolarHBondContact N-O 2.93Å; E53-K56 HydrophobicContact CB-CB 4.12Å; E53-K56 HydrophobicContact CB-CD 4.14Å; E53-K56 HydrophobicContact CB-CG 4.23Å; E53-K56 PolarHBondContact O-N 2.87Å; E53-K56 VanDerWaalsContact OE2-CD 3.26Å; E53-K56 WeakPolarHBondContact OE2-CD 3.42Å; E53-K56 WeakPolarHBondContact OE2-CE 3.09Å; E53-K56 IonicContact OE2-NZ 2.93Å; E53-K56 PolarHBondContact OE2-NZ 3.16Å; P54-K56 PolarHBondContact O-N 3.45Å; K56-Y172 WeakPolarHBondContact CD-OH 3.4Å; K56-Y172 PolarHBondContact NZ-OH 3.24Å
57	R	95.3	Very high	92.9	Very high	97 Å²	97	41.1 Å²	41.1	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.8	178.2	-57.8	179.3	74.9	-170.5	6.9	110.6	W5 L6 V50 E51	W5-R57 CarbonylContact C-O 3.53Å; W5-R57 VanDerWaalsContact CA-O 3.29Å; W5-R57 WeakPolarHBondContact CA-O 3.22Å; W5-R57 HydrophobicContact CB-CB 4.41Å; W5-R57 WeakPolarHBondContact CB-O 3.16Å; L6-R57 PolarHBondContact N-O 3.06Å; V50-R57 CarbonylContact O-C 3.55Å; V50-R57 VanDerWaalsContact O-CA 3.31Å; V50-R57 WeakPolarHBondContact O-CA 3.46Å; E51-R57 HydrophobicContact CB-CG 4.28Å; E51-R57 HydrophobicContact CG-CG 4.31Å
58	I	97.3	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.2	175.2	-52	-62.8	0	0	0	107.9	L6 Y7 F9 L49 V50 I52 L60 T168 Y172	L6-I58 HydrophobicContact CB-CD1 4.47Å; Y7-I58 HydrophobicContact CD2-CD1 3.97Å; Y7-I58 HydrophobicContact CG-CD1 4.47Å; Y7-I58 WeakPolarHBondContact O-CA 3.32Å; F9-I58 HydrophobicContact CB-CG2 4.38Å; F9-I58 HydrophobicContact CD1-CG2 4.21Å; F9-I58 HydrophobicContact CD2-CG2 3.54Å; F9-I58 HydrophobicContact CE1-CG2 4.37Å; F9-I58 HydrophobicContact CE2-CG1 4.47Å; F9-I58 HydrophobicContact CE2-CG2 3.72Å; F9-I58 HydrophobicContact CG-CG2 3.78Å; F9-I58 HydrophobicContact CZ-CD1 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.13Å; L49-I58 WeakPolarHBondContact CA-O 3.4Å; V50-I58 PolarHBondContact N-O 3.2Å; V50-I58 PolarHBondContact O-N 2.97Å; I52-I58 HydrophobicContact CD1-CD1 3.88Å; I52-I58 HydrophobicContact CD1-CG1 3.67Å; I52-I58 HydrophobicContact CG1-CD1 4.48Å; I52-I58 HydrophobicContact CG1-CG1 3.92Å; I52-I58 HydrophobicContact CG2-CG1 4.13Å; I58-L60 HydrophobicContact CG2-CD2 3.96Å; I58-T168 HydrophobicContact CB-CG2 3.98Å; I58-T168 HydrophobicContact CG1-CG2 4.05Å; I58-T168 HydrophobicContact CG2-CG2 4.01Å; I58-Y172 HydrophobicContact CD1-CD2 4.19Å
59	K	97.3	Very high	91.1	Very high	47 Å²	47	46.1 Å²	46.1	20%	0.204	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.9	171.5	-176	178.1	176.5	-170.2	0	109.2	W5 Y7 Q8 F9 S47 L49	W5-K59 HydrophobicContact CB-CB 4.27Å; W5-K59 HydrophobicContact CD2-CB 3.92Å; W5-K59 HydrophobicContact CD2-CD 4.03Å; W5-K59 HydrophobicContact CE3-CB 4.49Å; W5-K59 HydrophobicContact CE3-CD 4.24Å; W5-K59 HydrophobicContact CG-CB 3.79Å; W5-K59 HydrophobicContact CH2-CD 4.08Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.27Å; Y7-K59 PolarHBondContact O-N 3.45Å; Q8-K59 CarbonylContact C-O 3.47Å; Q8-K59 WeakPolarHBondContact CA-O 3.46Å; Q8-K59 HydrophobicContact CB-CB 4.24Å; Q8-K59 HydrophobicContact CG-CB 4.2Å; Q8-K59 HydrophobicContact CG-CD 4.3Å; Q8-K59 HydrophobicContact CG-CG 4.23Å; Q8-K59 WeakPolarHBondContact CG-O 3.34Å; F9-K59 PolarHBondContact N-O 2.95Å; S47-K59 WeakPolarHBondContact OG-CE 3.41Å; L49-K59 HydrophobicContact CD2-CB 3.79Å; L49-K59 HydrophobicContact CD2-CG 4.34Å
60	L	98.3	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	173	-56.1	-175.5	0	0	0	109.4	F9 L11 F28 S47 R48 V50 I58 I62 T168	F9-L60 HydrophobicContact CB-CD2 4.05Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; L11-L60 HydrophobicContact CD1-CB 4.29Å; L11-L60 HydrophobicContact CD1-CD1 3.93Å; L11-L60 HydrophobicContact CD1-CD2 3.93Å; L11-L60 HydrophobicContact CD1-CG 4.27Å; L11-L60 HydrophobicContact CG-CD2 4.39Å; F28-L60 HydrophobicContact CE1-CD1 4.14Å; F28-L60 HydrophobicContact CZ-CD1 4.05Å; S47-L60 WeakPolarHBondContact CA-O 3.09Å; S47-L60 PolarHBondContact OG-O 3.22Å; R48-L60 PolarHBondContact N-O 2.91Å; R48-L60 PolarHBondContact O-N 3.3Å; V50-L60 HydrophobicContact CB-CD1 4.44Å; V50-L60 HydrophobicContact CG2-CD1 3.58Å; V50-L60 HydrophobicContact CG2-CG 4.09Å; I58-L60 HydrophobicContact CG2-CD2 3.96Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; L60-T168 WeakPolarHBondContact CD1-OG1 3.29Å; L60-T168 HydrophobicContact CD2-CG2 3.95Å
61	Q	97.5	Very high	89.5	Confident	30 Å²	30	53.9 Å²	53.9	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.9	163.5	-77.4	-166	-28.2	0	0	107.7	Q8 F9 L11 F45	Q8-Q61 VanDerWaalsContact CD-CD 3.42Å; Q8-Q61 HydrophobicContact CG-CG 3.92Å; Q8-Q61 VanDerWaalsContact NE2-OE1 3.15Å; F9-Q61 PolarHBondContact O-N 3.29Å; L11-Q61 PolarHBondContact N-O 2.98Å; F45-Q61 HydrophobicContact CE2-CB 3.75Å; F45-Q61 HydrophobicContact CE2-CG 3.69Å; F45-Q61 HydrophobicContact CZ-CB 4.39Å; F45-Q61 HydrophobicContact CZ-CG 3.9Å
62	I	97.4	Very high	88.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.3	-171.7	-55.7	166.2	0	0	0	108.3	L11 V13 I25 F28 T29 F46 L60 F164	L11-I62 HydrophobicContact CB-CG1 4.43Å; L11-I62 HydrophobicContact CD1-CG1 4.43Å; V13-I62 HydrophobicContact CG2-CG2 3.78Å; I25-I62 HydrophobicContact CD1-CG2 4.04Å; I25-I62 HydrophobicContact CG1-CG2 4.05Å; I25-I62 HydrophobicContact CG2-CG2 4.08Å; F28-I62 HydrophobicContact CD1-CD1 3.79Å; F28-I62 HydrophobicContact CE1-CD1 3.69Å; T29-I62 HydrophobicContact CG2-CD1 4.01Å; F46-I62 HydrophobicContact CB-CB 4.32Å; F46-I62 PolarHBondContact N-O 3.28Å; F46-I62 PolarHBondContact O-N 2.96Å; L60-I62 HydrophobicContact CB-CD1 4.29Å; L60-I62 HydrophobicContact CB-CG1 4.1Å; I62-F164 HydrophobicContact CD1-CD1 4.1Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG1-CE1 4.45Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å
63	W	95.2	Very high	88	Confident	37 Å²	37	53.9 Å²	53.9	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.5	175.4	-63.8	92.1	0	0	0	109.4	L11 I12 V13 V43 F45 Y78	L11-W63 PolarHBondContact O-N 3.03Å; I12-W63 HydrophobicContact CG1-CB 4.25Å; V13-W63 PolarHBondContact N-O 2.94Å; V43-W63 HydrophobicContact CG1-CB 4.05Å; V43-W63 HydrophobicContact CG1-CD2 4.38Å; V43-W63 HydrophobicContact CG1-CE3 3.56Å; V43-W63 HydrophobicContact CG1-CZ3 4.39Å; F45-W63 HydrophobicContact CB-CE3 4.24Å; F45-W63 HydrophobicContact CB-CH2 4.44Å; F45-W63 HydrophobicContact CB-CZ3 4.02Å; F45-W63 HydrophobicContact CD2-CD2 4.24Å; F45-W63 AromaticContact CD2-CE2 3.92Å; F45-W63 HydrophobicContact CD2-CE3 4.37Å; F45-W63 HydrophobicContact CD2-CH2 4.1Å; F45-W63 AromaticContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ2 3.87Å; F45-W63 HydrophobicContact CD2-CZ3 4.32Å; F45-W63 HydrophobicContact CE2-CZ2 4.39Å; W63-Y78 AromaticContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CE1 4.38Å; W63-Y78 AromaticContact CE3-CD1 3.49Å; W63-Y78 HydrophobicContact CE3-CD1 3.49Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.49Å; W63-Y78 AromaticContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CH2-CD1 4.17Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 AromaticContact CZ3-CD1 3.66Å; W63-Y78 HydrophobicContact CZ3-CD1 3.66Å; W63-Y78 AromaticContact CZ3-CE1 3.31Å; W63-Y78 HydrophobicContact CZ3-CE1 3.31Å
64	D	93	Very high	87.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.3	171.3	-174.4	23.9	0	0	0	109.3	S22 I25 V43 D44 F46	S22-D64 WeakPolarHBondContact CA-OD2 3.44Å; S22-D64 WeakPolarHBondContact CB-OD2 3.23Å; S22-D64 PolarHBondContact OG-OD2 2.86Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; I25-D64 WeakPolarHBondContact CD1-OD1 3.3Å; V43-D64 CarbonylContact C-O 3.39Å; V43-D64 WeakPolarHBondContact CA-O 3.35Å; V43-D64 WeakPolarHBondContact CG1-O 3.5Å; D44-D64 HydrophobicContact CB-CB 4.16Å; D44-D64 PolarHBondContact N-O 3.36Å; D44-D64 PolarHBondContact O-N 2.87Å; F46-D64 HydrophobicContact CD2-CB 4.22Å; F46-D64 HydrophobicContact CE2-CB 3.82Å
65	T	88.5	Confident	86.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.5	-170.5	66.1	0	0	0	0	112.7	I12 V13 I14 K21 G67 T75	I12-T65 HydrophobicContact CD1-CG2 3.73Å; I12-T65 HydrophobicContact CG1-CG2 3.56Å; V13-T65 PolarHBondContact O-OG1 2.78Å; I14-T65 HydrophobicContact CG2-CG2 4.37Å; K21-T65 WeakPolarHBondContact CE-O 3.1Å; T65-G67 PolarHBondContact O-N 2.87Å; T65-T75 HydrophobicContact CG2-CG2 3.71Å
66	A	85.5	Confident	86.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.226	C	C	.	.			trans	-61.4	129.7	166.4	0	0	0	0	0	110.5	T40 G42 F71 T75	T40-A66 VanDerWaalsContact O-CB 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.24Å; G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.32Å; G42-A66 PolarHBondContact O-N 2.99Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 4.06Å; A66-F71 HydrophobicContact CB-CG 4.2Å; A66-T75 PolarHBondContact O-OG1 2.99Å
67	G	73.8	Confident	86.3	Confident	10 Å²	10	50.6 Å²	50.6	10%	0.103	24%	0.242	C	C	.	.			trans	-91.4	-2.2	175.8	0	0	0	0	0	114.6	G15 S17 K21 T65	G15-G67 WeakPolarHBondContact O-CA 3.42Å; S17-G67 PolarHBondContact N-O 2.8Å; S17-G67 VanDerWaalsContact N-O 3.09Å; K21-G67 VanDerWaalsContact NZ-CA 3.33Å; T65-G67 PolarHBondContact O-N 2.87Å
68	Q	79.3	Confident	85.7	Confident	60 Å²	60	49.1 Å²	49.1	28%	0.28	24%	0.237	S	C	.	.	S	Bend	trans	-85.5	138.4	179.4	-59.8	-174.5	27.5	0	0	110.5	R70 F71	Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 HydrophobicContact CB-CG 4.21Å; Q68-R70 PolarHBondContact O-N 2.7Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.47Å; Q68-F71 PolarHBondContact O-N 3.35Å
69	E	74.5	Confident	85.2	Confident	170 Å²	170	49.1 Å²	49.1	79%	0.794	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-54.8	-42.4	-179.3	-167.5	-161	-178.9	0	0	112.7	F71 R72	E69-F71 PolarHBondContact O-N 2.81Å; E69-R72 HydrophobicContact CG-CG 4.5Å; E69-R72 VanDerWaalsContact O-CB 3.27Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.46Å; E69-R72 PolarHBondContact O-N 3.1Å
70	R	78.7	Confident	84.6	Confident	194 Å²	194	54.3 Å²	54.3	73%	0.732	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.5	-15.3	179.2	72	-178.2	-63.3	179.2	1.7	114.7	Q68	Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 HydrophobicContact CB-CG 4.21Å; Q68-R70 PolarHBondContact O-N 2.7Å
71	F	80.1	Confident	84.2	Confident	33 Å²	33	56 Å²	56	15%	0.145	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-110.9	4.1	177.5	-58.1	-55.3	0	0	0	113.1	V41 A66 Q68 E69 S73 I74 T75	V41-F71 HydrophobicContact CG1-CE1 3.99Å; V41-F71 HydrophobicContact CG1-CE2 4.41Å; V41-F71 HydrophobicContact CG1-CZ 3.9Å; V41-F71 HydrophobicContact CG2-CE2 4.23Å; V41-F71 HydrophobicContact CG2-CZ 4.21Å; A66-F71 HydrophobicContact CB-CB 3.62Å; A66-F71 HydrophobicContact CB-CD2 4.06Å; A66-F71 HydrophobicContact CB-CG 4.2Å; Q68-F71 HydrophobicContact CB-CD2 3.94Å; Q68-F71 HydrophobicContact CB-CE2 4.47Å; Q68-F71 PolarHBondContact O-N 3.35Å; E69-F71 PolarHBondContact O-N 2.81Å; F71-S73 PolarHBondContact O-N 3.33Å; F71-I74 HydrophobicContact CD1-CD1 4.16Å; F71-I74 WeakPolarHBondContact O-CB 3.15Å; F71-I74 PolarHBondContact O-N 3.3Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 3.3Å
72	R	78	Confident	84.1	Confident	36 Å²	36	54.6 Å²	54.6	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-54.1	-36.9	179.8	-81.5	-102.4	-177.1	136.6	3.7	112.8	E69 I74 T75 R76 E102 E106	E69-R72 HydrophobicContact CG-CG 4.5Å; E69-R72 VanDerWaalsContact O-CB 3.27Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.46Å; E69-R72 PolarHBondContact O-N 3.1Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 PolarHBondContact O-N 3.47Å; R72-T75 WeakPolarHBondContact O-CB 3.26Å; R72-T75 PolarHBondContact O-N 3.16Å; R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.31Å; R72-E102 IonicContact NH2-OE2 3.69Å; R72-E106 VanDerWaalsContact CD-OE1 3.3Å; R72-E106 WeakPolarHBondContact CD-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE2 3.22Å; R72-E106 IonicContact CZ-OE2 2.62Å; R72-E106 IonicContact NE-OE2 3.45Å; R72-E106 IonicContact NH1-OE2 3.56Å; R72-E106 PolarHBondContact NH1-OE2 3.46Å
73	S	79.2	Confident	84.1	Confident	88 Å²	88	54.7 Å²	54.7	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-37.4	177.5	57	0	0	0	0	112.9	F71	F71-S73 PolarHBondContact O-N 3.33Å
74	I	78.1	Confident	84.3	Confident	69 Å²	69	52.9 Å²	52.9	35%	0.354	25%	0.252	S	S	.	.	H	α-helix	trans	-68.3	-47	175	-57.8	174.2	0	0	0	109	V43 F71 R72 R76 A77 Y78	V43-I74 HydrophobicContact CG2-CG2 4.26Å; F71-I74 HydrophobicContact CD1-CD1 4.16Å; F71-I74 WeakPolarHBondContact O-CB 3.15Å; F71-I74 PolarHBondContact O-N 3.3Å; R72-I74 VanDerWaalsContact C-N 3.3Å; R72-I74 PolarHBondContact O-N 3.47Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 3.02Å; I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 2.9Å; I74-Y78 HydrophobicContact CG2-CE2 4.1Å; I74-Y78 WeakPolarHBondContact O-CD2 3.49Å; I74-Y78 WeakPolarHBondContact O-CE2 3.2Å
75	T	79.5	Confident	84.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-41.1	178.3	-54	0	0	0	0	112.4	T65 A66 F71 R72 A77 Y78 Y79	T65-T75 HydrophobicContact CG2-CG2 3.71Å; A66-T75 PolarHBondContact O-OG1 2.99Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 3.3Å; R72-T75 WeakPolarHBondContact O-CB 3.26Å; R72-T75 PolarHBondContact O-N 3.16Å; T75-A77 PolarHBondContact O-N 3.38Å; T75-Y78 PolarHBondContact O-N 3.49Å; T75-Y79 HydrophobicContact CG2-CE1 3.68Å; T75-Y79 VanDerWaalsContact CG2-OH 3.3Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å
76	R	82.1	Confident	85	Confident	114 Å²	114	53 Å²	53	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-32.9	179.5	-76	171.8	-171.1	-172.6	-1.4	114	R72 I74 Y78 Y79 E106	R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.31Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 3.02Å; R76-Y78 PolarHBondContact O-N 3.42Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; R76-Y79 VanDerWaalsContact CA-CD2 3.48Å; R76-Y79 HydrophobicContact CB-CD2 4.16Å; R76-Y79 HydrophobicContact CB-CE2 4.17Å; R76-Y79 HydrophobicContact CG-CD2 3.98Å; R76-Y79 HydrophobicContact CG-CE2 3.59Å; R76-Y79 PolarHBondContact O-N 2.96Å; R76-E106 VanDerWaalsContact CG-OE1 3.32Å; R76-E106 WeakPolarHBondContact CG-OE1 3.32Å; R76-E106 IonicContact CZ-OE1 2.77Å; R76-E106 IonicContact CZ-OE2 2.63Å; R76-E106 VanDerWaalsContact NE-CD 3.27Å; R76-E106 IonicContact NE-OE1 2.79Å; R76-E106 PolarHBondContact NE-OE1 2.96Å; R76-E106 IonicContact NE-OE2 3.85Å; R76-E106 PolarHBondContact NE-OE2 2.78Å; R76-E106 IonicContact NH2-OE1 3.45Å; R76-E106 IonicContact NH2-OE2 2.8Å; R76-E106 PolarHBondContact NH2-OE2 3.1Å
77	A	82.9	Confident	85.6	Confident	78 Å²	78	53 Å²	53	65%	0.645	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.6	177.5	0	0	0	0	0	113.1	I74 T75	I74-A77 WeakPolarHBondContact O-CB 3.31Å; I74-A77 PolarHBondContact O-N 2.9Å; T75-A77 PolarHBondContact O-N 3.38Å
78	Y	83.7	Confident	86.7	Confident	66 Å²	66	52.5 Å²	52.5	26%	0.259	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.5	-177.2	-62.6	-95.4	0	0	0	113.8	V43 W63 I74 T75 R76 S82	V43-Y78 HydrophobicContact CB-CD2 4.12Å; V43-Y78 HydrophobicContact CB-CE1 4.29Å; V43-Y78 HydrophobicContact CB-CE2 3.86Å; V43-Y78 HydrophobicContact CB-CG 4.44Å; V43-Y78 HydrophobicContact CG1-CD1 4.06Å; V43-Y78 HydrophobicContact CG1-CD2 4.29Å; V43-Y78 HydrophobicContact CG1-CE1 4.17Å; V43-Y78 HydrophobicContact CG1-CE2 4.39Å; V43-Y78 HydrophobicContact CG1-CG 4.13Å; V43-Y78 HydrophobicContact CG2-CD2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V43-Y78 HydrophobicContact CG2-CE2 3.49Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.49Å; V43-Y78 HydrophobicContact CG2-CG 4.09Å; W63-Y78 AromaticContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CD1 3.86Å; W63-Y78 HydrophobicContact CD2-CE1 4.38Å; W63-Y78 AromaticContact CE3-CD1 3.49Å; W63-Y78 HydrophobicContact CE3-CD1 3.49Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.49Å; W63-Y78 AromaticContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CE3-CE1 3.61Å; W63-Y78 HydrophobicContact CH2-CD1 4.17Å; W63-Y78 AromaticContact CH2-CE1 3.9Å; W63-Y78 HydrophobicContact CH2-CE1 3.9Å; W63-Y78 AromaticContact CZ3-CD1 3.66Å; W63-Y78 HydrophobicContact CZ3-CD1 3.66Å; W63-Y78 AromaticContact CZ3-CE1 3.31Å; W63-Y78 HydrophobicContact CZ3-CE1 3.31Å; I74-Y78 HydrophobicContact CG2-CE2 4.1Å; I74-Y78 WeakPolarHBondContact O-CD2 3.49Å; I74-Y78 WeakPolarHBondContact O-CE2 3.2Å; T75-Y78 PolarHBondContact O-N 3.49Å; R76-Y78 PolarHBondContact O-N 3.42Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-S82 PolarHBondContact O-OG 3.03Å
79	Y	86.4	Confident	87.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-46.3	179.4	-66.7	-31.9	0	0	0	113.1	I12 I14 T75 R76 N81 S82 E106 T107 H110 V111	I12-Y79 HydrophobicContact CD1-CD1 3.37Å; I12-Y79 HydrophobicContact CD1-CE1 3.54Å; I14-Y79 HydrophobicContact CG2-CE1 4Å; T75-Y79 HydrophobicContact CG2-CE1 3.68Å; T75-Y79 VanDerWaalsContact CG2-OH 3.3Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.38Å; R76-Y79 VanDerWaalsContact CA-CD2 3.48Å; R76-Y79 HydrophobicContact CB-CD2 4.16Å; R76-Y79 HydrophobicContact CB-CE2 4.17Å; R76-Y79 HydrophobicContact CG-CD2 3.98Å; R76-Y79 HydrophobicContact CG-CE2 3.59Å; R76-Y79 PolarHBondContact O-N 2.96Å; Y79-N81 PolarHBondContact O-N 2.95Å; Y79-S82 WeakPolarHBondContact O-CB 3.43Å; Y79-S82 PolarHBondContact O-N 2.96Å; Y79-E106 HydrophobicContact CE2-CG 3.78Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.44Å; Y79-E106 PolarHBondContact OH-OE1 3.36Å; Y79-T107 HydrophobicContact CD1-CG2 3.86Å; Y79-T107 HydrophobicContact CE1-CG2 4.26Å; Y79-T107 HydrophobicContact CG-CG2 4.27Å; Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 AromaticContact CD2-CD2 3.74Å; Y79-H110 AromaticContact CD2-CG 3.97Å; Y79-H110 HydrophobicContact CG-CB 4.06Å; Y79-V111 WeakPolarHBondContact O-CG2 3.48Å
80	R	85.5	Confident	88.8	Confident	155 Å²	155	41.9 Å²	41.9	59%	0.585	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-39.6	-166.2	-173	175.3	-179.6	146	2.1	114.2	H110 Q112	R80-H110 VanDerWaalsContact CA-O 3.28Å; R80-H110 WeakPolarHBondContact CA-O 3.19Å; R80-Q112 PolarHBondContact O-N 3.32Å
81	N	90.3	Very high	89.8	Confident	36 Å²	36	32.6 Å²	32.6	19%	0.193	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14.8	-172.1	-64.9	-24.4	0	0	0	114.3	R10 Y79 E187 G188	R10-N81 WeakPolarHBondContact CB-O 3.5Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.49Å; R10-N81 WeakPolarHBondContact CG-O 3.41Å; Y79-N81 PolarHBondContact O-N 2.95Å; N81-E187 HydrophobicContact CB-CB 3.97Å; N81-G188 WeakPolarHBondContact O-CA 3.29Å; N81-G188 PolarHBondContact O-N 3.12Å
82	S	95.4	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.			trans	-86.9	129.5	-179.1	-63.3	0	0	0	0	111.5	R10 Y78 Y79 V111	R10-S82 WeakPolarHBondContact O-CA 3.45Å; Y78-S82 PolarHBondContact O-OG 3.03Å; Y79-S82 WeakPolarHBondContact O-CB 3.43Å; Y79-S82 PolarHBondContact O-N 2.96Å; S82-V111 WeakPolarHBondContact O-CG1 3.3Å
83	V	97.5	Very high	91.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.168	C	C	.	.	S	Bend	trans	-93.2	-26.9	173.5	66.9	0	0	0	0	112.1	F9 R10 V117 I171 I180 W186 G188 V189	F9-V83 HydrophobicContact CB-CG1 3.9Å; F9-V83 HydrophobicContact CG-CG1 4.3Å; R10-V83 WeakPolarHBondContact O-CG1 3.28Å; R10-V83 PolarHBondContact O-N 2.68Å; V83-V117 PolarHBondContact O-N 2.78Å; V83-I171 HydrophobicContact CG1-CD1 4.23Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.69Å; V83-I180 HydrophobicContact CG2-CD1 3.82Å; V83-I180 HydrophobicContact CG2-CG2 4.19Å; V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.07Å; V83-W186 HydrophobicContact CG2-CH2 3.83Å; V83-W186 HydrophobicContact CG2-CZ2 4.31Å; V83-G188 WeakPolarHBondContact CG1-O 3.26Å; V83-V189 HydrophobicContact CB-CG2 4.13Å; V83-V189 HydrophobicContact CG1-CG2 4.18Å; V83-V189 HydrophobicContact CG2-CG2 3.77Å
84	G	98	Very high	92.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.3	179.8	0	0	0	0	0	112.5	R10 L11 I12 V117	R10-G84 PolarHBondContact O-N 3.09Å; L11-G84 CarbonylContact C-O 3.51Å; L11-G84 VanDerWaalsContact CA-O 3.25Å; L11-G84 WeakPolarHBondContact CA-O 3.19Å; I12-G84 PolarHBondContact N-O 3.03Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.47Å
85	G	97.5	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144.4	176.7	0	0	0	0	0	113.7	I12 V117 F118 V119	I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.33Å; G85-V117 PolarHBondContact N-O 3.38Å; G85-F118 WeakPolarHBondContact O-CA 2.83Å; G85-F118 WeakPolarHBondContact O-CD1 3.27Å; G85-V119 PolarHBondContact O-N 3.11Å; G85-V119 VanDerWaalsContact O-N 3.1Å
86	L	98.6	Very high	94.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.1	161.2	-62.1	-177.3	0	0	0	108.2	I12 V13 I14 L24 L88 V119 V121 F164 L167	I12-L86 PolarHBondContact O-N 2.86Å; V13-L86 HydrophobicContact CG1-CB 4.32Å; V13-L86 HydrophobicContact CG2-CB 4.38Å; I14-L86 PolarHBondContact N-O 3.24Å; L24-L86 HydrophobicContact CD2-CD1 4.27Å; L86-L88 HydrophobicContact CB-CD1 3.48Å; L86-L88 VanDerWaalsContact CB-CD1 3.48Å; L86-V119 HydrophobicContact CD2-CB 3.86Å; L86-V119 HydrophobicContact CD2-CG1 4.41Å; L86-V121 HydrophobicContact CB-CG2 4.3Å; L86-V121 HydrophobicContact CD2-CG2 4.03Å; L86-F164 HydrophobicContact CD1-CD1 3.85Å; L86-F164 HydrophobicContact CD1-CD2 4.12Å; L86-F164 HydrophobicContact CD1-CE1 3.48Å; L86-F164 VanDerWaalsContact CD1-CE1 3.48Å; L86-F164 HydrophobicContact CD1-CE2 3.77Å; L86-F164 HydrophobicContact CD1-CG 4.16Å; L86-F164 HydrophobicContact CD1-CZ 3.44Å; L86-F164 VanDerWaalsContact CD1-CZ 3.44Å; L86-F164 HydrophobicContact CG-CE1 4.48Å; L86-L167 HydrophobicContact CD2-CB 4.4Å; L86-L167 HydrophobicContact CD2-CD2 3.78Å; L86-L167 HydrophobicContact CG-CD2 4.09Å
87	L	98.1	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	104	178.2	177.7	53.8	0	0	0	108.5	I14 V100 W103 L104 F118 V119 L120 V121 M147	I14-L87 HydrophobicContact CD1-CD1 3.88Å; I14-L87 HydrophobicContact CG1-CB 4.41Å; I14-L87 HydrophobicContact CG1-CD1 3.75Å; L87-V100 HydrophobicContact CD2-CG1 3.55Å; L87-V100 HydrophobicContact CG-CG1 3.95Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.37Å; L87-L104 HydrophobicContact CD2-CB 3.9Å; L87-L104 HydrophobicContact CD2-CD1 4.22Å; L87-F118 HydrophobicContact CB-CD1 3.98Å; L87-F118 HydrophobicContact CB-CE1 4.29Å; L87-V119 PolarHBondContact N-O 3.4Å; L87-L120 HydrophobicContact CD2-CD1 4.42Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; L87-V121 PolarHBondContact O-N 3.2Å; L87-M147 HydrophobicContact CD2-CE 4.37Å
88	L	98.5	Very high	95.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.1	-170.4	-83.4	65.3	0	0	0	112	V13 I14 G15 V19 K21 L24 L86 V121	V13-L88 HydrophobicContact CG1-CD1 3.7Å; V13-L88 HydrophobicContact CG1-CD2 4.09Å; I14-L88 PolarHBondContact O-N 3.19Å; G15-L88 WeakPolarHBondContact CA-O 3.39Å; V19-L88 HydrophobicContact CG2-CB 3.81Å; K21-L88 HydrophobicContact CB-CD2 4.31Å; K21-L88 HydrophobicContact CG-CB 4.42Å; K21-L88 HydrophobicContact CG-CD2 3.94Å; L24-L88 HydrophobicContact CB-CD2 4.4Å; L24-L88 HydrophobicContact CD2-CD1 4.36Å; L24-L88 HydrophobicContact CD2-CD2 3.79Å; L24-L88 HydrophobicContact CD2-CG 4.37Å; L86-L88 HydrophobicContact CB-CD1 3.48Å; L86-L88 VanDerWaalsContact CB-CD1 3.48Å; L88-V121 WeakPolarHBondContact CA-O 3.42Å; L88-V121 HydrophobicContact CD1-CB 3.84Å; L88-V121 HydrophobicContact CD1-CG1 4.33Å; L88-V121 HydrophobicContact CD1-CG2 4.12Å; L88-V121 HydrophobicContact CG-CB 3.86Å; L88-V121 HydrophobicContact CG-CG1 4.02Å
89	F	98.7	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	164.4	158.8	71.4	-87.2	0	0	0	109.6	I91 F97 V100 L120 V121 H123 V133 A138 Y149	F89-I91 HydrophobicContact CE2-CG2 3.98Å; F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CB 3.78Å; F89-F97 AromaticContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CG 4.34Å; F89-F97 AromaticContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CE2 4.31Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CG 4.43Å; F89-F97 HydrophobicContact CG-CB 4.09Å; F89-F97 HydrophobicContact CG-CD2 4.04Å; F89-F97 AromaticContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CE2 4.29Å; F89-V100 HydrophobicContact CB-CG2 3.96Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F89-L120 HydrophobicContact CD1-CD1 3.95Å; F89-L120 HydrophobicContact CD1-CG 4.24Å; F89-L120 HydrophobicContact CE1-CD1 4.1Å; F89-L120 HydrophobicContact CE1-CD2 4.01Å; F89-L120 HydrophobicContact CE1-CG 3.88Å; F89-V121 WeakPolarHBondContact CD1-O 3.27Å; F89-V121 PolarHBondContact N-O 3.24Å; F89-H123 WeakPolarHBondContact O-CB 3.37Å; F89-H123 PolarHBondContact O-N 3.25Å; F89-V133 HydrophobicContact CE2-CB 4.05Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.37Å; F89-V133 HydrophobicContact CZ-CG1 4.3Å; F89-A138 HydrophobicContact CE1-CB 4.21Å; F89-A138 HydrophobicContact CZ-CB 3.69Å; F89-Y149 AromaticContact CE1-CE2 3.73Å; F89-Y149 HydrophobicContact CE1-CE2 3.73Å; F89-Y149 AromaticContact CZ-CE2 3.75Å; F89-Y149 HydrophobicContact CZ-CE2 3.75Å
90	D	98.5	Very high	97.1	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.2	175.5	173	-5.9	0	0	0	109.3	V19 T92 N93 S96 K124	V19-D90 HydrophobicContact CB-CB 4.21Å; V19-D90 HydrophobicContact CG1-CB 4.21Å; D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 2.92Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.17Å; D90-T92 PolarHBondContact OD1-OG1 3.18Å; D90-T92 PolarHBondContact OD2-OG1 3.39Å; D90-N93 HydrophobicContact CB-CB 4.04Å; D90-N93 CarbonylContact O-C 3.49Å; D90-N93 PolarHBondContact O-N 3.05Å; D90-S96 PolarHBondContact N-OG 2.9Å; D90-S96 PolarHBondContact O-OG 2.82Å; D90-K124 WeakPolarHBondContact OD2-CD 3.24Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.4Å; D90-K124 IonicContact OD2-NZ 3.79Å; D90-K124 PolarHBondContact OD2-NZ 3.25Å
91	I	98.8	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	-176.7	65.9	147.9	0	0	0	113.1	F89 H123 K124 C125 R131 Q132 V133	F89-I91 HydrophobicContact CE2-CG2 3.98Å; I91-H123 WeakPolarHBondContact CG1-O 3.3Å; I91-H123 PolarHBondContact N-O 3Å; I91-K124 WeakPolarHBondContact CG1-O 3.23Å; I91-C125 HydrophobicContact CD1-CB 4.43Å; I91-R131 HydrophobicContact CD1-CB 4.25Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; I91-Q132 PolarHBondContact O-N 2.9Å; I91-V133 PolarHBondContact O-N 3.31Å; I91-V133 VanDerWaalsContact O-N 3.12Å
92	T	98.6	Very high	97.9	Very high	21 Å²	21	33.8 Å²	33.8	13%	0.129	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.2	177.3	72.2	0	0	0	0	112.8	D90 L127 Q130 Q132	D90-T92 VanDerWaalsContact CG-OG1 3.23Å; D90-T92 PolarHBondContact O-N 2.92Å; D90-T92 VanDerWaalsContact O-N 3.1Å; D90-T92 WeakPolarHBondContact OD1-CB 3.3Å; D90-T92 PolarHBondContact OD1-N 3.17Å; D90-T92 PolarHBondContact OD1-OG1 3.18Å; D90-T92 PolarHBondContact OD2-OG1 3.39Å; T92-L127 HydrophobicContact CG2-CB 3.58Å; T92-L127 HydrophobicContact CG2-CD1 4.12Å; T92-Q130 WeakPolarHBondContact CA-O 3.5Å; T92-Q130 HydrophobicContact CG2-CB 3.85Å; T92-Q132 VanDerWaalsContact O-CG 3.27Å; T92-Q132 WeakPolarHBondContact O-CG 3.47Å; T92-Q132 PolarHBondContact O-NE2 3.3Å; T92-Q132 PolarHBondContact O-OE1 3.34Å
93	N	98.4	Very high	97.8	Very high	50 Å²	50	33.9 Å²	33.9	27%	0.267	15%	0.151	S	C	.	.			trans	-131.1	96.3	-177.1	-179.8	-12.7	0	0	0	110.7	D90 R95 S96	D90-N93 HydrophobicContact CB-CB 4.04Å; D90-N93 CarbonylContact O-C 3.49Å; D90-N93 PolarHBondContact O-N 3.05Å; N93-R95 PolarHBondContact O-N 3.19Å; N93-R95 WeakPolarHBondContact OD1-CB 3.14Å; N93-R95 PolarHBondContact OD1-N 3.2Å; N93-R95 VanDerWaalsContact OD1-N 3.09Å; N93-S96 PolarHBondContact O-N 3.18Å; N93-S96 VanDerWaalsContact O-N 3.1Å; N93-S96 PolarHBondContact O-OG 2.8Å; N93-S96 PolarHBondContact OD1-N 3.41Å
94	R	98.5	Very high	97.7	Very high	85 Å²	85	33.8 Å²	33.8	32%	0.321	15%	0.151	S	C	.	.	H	α-helix	trans	-59.2	-30.7	-179.3	178.9	160.7	-76.2	-103.3	-1.7	113.9	S96 F97 Q98 Q132 V133 E137	R94-S96 VanDerWaalsContact C-N 3.34Å; R94-S96 PolarHBondContact O-N 2.73Å; R94-F97 WeakPolarHBondContact O-CB 3.34Å; R94-F97 PolarHBondContact O-N 2.89Å; R94-Q98 HydrophobicContact CG-CG 4.5Å; R94-Q98 WeakPolarHBondContact O-CG 3.29Å; R94-Q98 PolarHBondContact O-N 2.96Å; R94-Q132 HydrophobicContact CB-CB 4.11Å; R94-Q132 VanDerWaalsContact CZ-O 3.28Å; R94-Q132 VanDerWaalsContact N-OE1 3.08Å; R94-Q132 PolarHBondContact NE-O 2.94Å; R94-Q132 PolarHBondContact NH2-O 3.46Å; R94-V133 HydrophobicContact CB-CG2 4.28Å; R94-E137 IonicContact CZ-OE1 3.02Å; R94-E137 IonicContact CZ-OE2 2.7Å; R94-E137 IonicContact NH1-OE1 3.63Å; R94-E137 PolarHBondContact NH1-OE1 3.02Å; R94-E137 IonicContact NH2-OE1 2.69Å; R94-E137 PolarHBondContact NH2-OE1 3.11Å; R94-E137 IonicContact NH2-OE2 3.94Å; R94-E137 PolarHBondContact NH2-OE2 2.9Å
95	R	98.2	Very high	97.5	Very high	173 Å²	173	37.2 Å²	37.2	65%	0.653	17%	0.167	S	C	*	.	H	α-helix	trans	-63.2	-41.9	177.1	-175.2	-179.9	-179.4	-178.4	-1.3	111.4	N93 F97 Q98 N99	N93-R95 PolarHBondContact O-N 3.19Å; N93-R95 WeakPolarHBondContact OD1-CB 3.14Å; N93-R95 PolarHBondContact OD1-N 3.2Å; N93-R95 VanDerWaalsContact OD1-N 3.09Å; R95-F97 PolarHBondContact O-N 3.44Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.11Å; R95-N99 PolarHBondContact O-N 2.77Å
96	S	98.3	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-30.3	178.1	74	0	0	0	0	113	D16 D90 N93 R94	D16-S96 WeakPolarHBondContact OD2-CA 3.35Å; D90-S96 PolarHBondContact N-OG 2.9Å; D90-S96 PolarHBondContact O-OG 2.82Å; N93-S96 PolarHBondContact O-N 3.18Å; N93-S96 VanDerWaalsContact O-N 3.1Å; N93-S96 PolarHBondContact O-OG 2.8Å; N93-S96 PolarHBondContact OD1-N 3.41Å; R94-S96 VanDerWaalsContact C-N 3.34Å; R94-S96 PolarHBondContact O-N 2.73Å
97	F	98.7	Very high	97	Very high	23 Å²	23	38.1 Å²	38.1	10%	0.101	17%	0.171	C	C	.	.	H	α-helix	trans	-73.6	-40.7	173.1	175.1	-106.1	0	0	0	112.5	F89 R94 R95 N99 V100 V133 E137 A138 L141	F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD1-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CB 3.78Å; F89-F97 AromaticContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CD2 3.98Å; F89-F97 HydrophobicContact CD2-CG 4.34Å; F89-F97 AromaticContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CD2 3.85Å; F89-F97 HydrophobicContact CE1-CE2 4.31Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CD2 3.87Å; F89-F97 HydrophobicContact CE2-CG 4.43Å; F89-F97 HydrophobicContact CG-CB 4.09Å; F89-F97 HydrophobicContact CG-CD2 4.04Å; F89-F97 AromaticContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CD2 3.8Å; F89-F97 HydrophobicContact CZ-CE2 4.29Å; R94-F97 WeakPolarHBondContact O-CB 3.34Å; R94-F97 PolarHBondContact O-N 2.89Å; R95-F97 PolarHBondContact O-N 3.44Å; F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.02Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.25Å; F97-V100 VanDerWaalsContact O-CG2 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.5Å; F97-V100 PolarHBondContact O-N 3.28Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.68Å; F97-V133 HydrophobicContact CD1-CG1 3.98Å; F97-V133 HydrophobicContact CD1-CG2 4.22Å; F97-V133 HydrophobicContact CD2-CG1 3.86Å; F97-V133 HydrophobicContact CE1-CG1 4.18Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.8Å; F97-V133 HydrophobicContact CG-CG2 3.97Å; F97-V133 HydrophobicContact CZ-CG1 4.21Å; F97-E137 HydrophobicContact CE1-CB 4.46Å; F97-E137 HydrophobicContact CZ-CB 4.29Å; F97-A138 HydrophobicContact CE2-CB 4.1Å; F97-L141 HydrophobicContact CD2-CD2 4.06Å; F97-L141 HydrophobicContact CE1-CD2 4.46Å; F97-L141 HydrophobicContact CE2-CB 4.01Å; F97-L141 HydrophobicContact CE2-CD2 3.36Å; F97-L141 HydrophobicContact CE2-CG 4.3Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.61Å; F97-L141 HydrophobicContact CZ-CG 4.26Å
98	Q	98.3	Very high	96.7	Very high	124 Å²	124	41.9 Å²	41.9	58%	0.579	19%	0.187	S	C	*	.	H	α-helix	trans	-62.1	-37	176.1	-70.6	169	-30	0	0	111.9	R94 R95 V100	R94-Q98 HydrophobicContact CG-CG 4.5Å; R94-Q98 WeakPolarHBondContact O-CG 3.29Å; R94-Q98 PolarHBondContact O-N 2.96Å; R95-Q98 PolarHBondContact O-N 3Å; R95-Q98 VanDerWaalsContact O-N 3.11Å; Q98-V100 PolarHBondContact O-N 2.66Å
99	N	97.5	Very high	96.4	Very high	29 Å²	29	46.7 Å²	46.7	16%	0.155	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.7	179.7	-66.7	-7.5	0	0	0	114	D16 R95 F97 H101 E102 W103	D16-N99 WeakPolarHBondContact OD1-CB 3.31Å; D16-N99 PolarHBondContact OD1-ND2 3.16Å; D16-N99 PolarHBondContact OD2-ND2 2.8Å; R95-N99 PolarHBondContact O-N 2.77Å; F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.02Å; N99-H101 PolarHBondContact O-N 3.31Å; N99-E102 PolarHBondContact O-N 2.84Å; N99-E102 VanDerWaalsContact O-N 3.1Å; N99-W103 VanDerWaalsContact O-CD1 3.3Å; N99-W103 PolarHBondContact O-N 3.1Å
100	V	98	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-53.6	-40.4	178.7	166.5	0	0	0	0	111.7	L87 F89 F97 Q98 E102 W103 L104 L120 L141	L87-V100 HydrophobicContact CD2-CG1 3.55Å; L87-V100 HydrophobicContact CG-CG1 3.95Å; F89-V100 HydrophobicContact CB-CG2 3.96Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.34Å; F97-V100 VanDerWaalsContact O-CB 3.24Å; F97-V100 WeakPolarHBondContact O-CB 3.25Å; F97-V100 VanDerWaalsContact O-CG2 3.23Å; F97-V100 WeakPolarHBondContact O-CG2 3.5Å; F97-V100 PolarHBondContact O-N 3.28Å; Q98-V100 PolarHBondContact O-N 2.66Å; V100-E102 PolarHBondContact O-N 3.4Å; V100-W103 PolarHBondContact O-N 3.23Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 PolarHBondContact O-N 3.1Å; V100-L120 HydrophobicContact CG1-CD1 3.69Å; V100-L120 HydrophobicContact CG2-CD1 4.16Å; V100-L141 HydrophobicContact CB-CD2 4.09Å; V100-L141 HydrophobicContact CG1-CD2 3.78Å
101	H	96.3	Very high	95.7	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.426	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-45.2	178.7	175.9	67.4	0	0	0	112	N99 W103 L104 E105 Y145	N99-H101 PolarHBondContact O-N 3.31Å; H101-W103 PolarHBondContact O-N 3.01Å; H101-L104 WeakPolarHBondContact O-CB 3.25Å; H101-L104 PolarHBondContact O-N 2.93Å; H101-E105 VanDerWaalsContact CE1-CG 3.43Å; H101-E105 WeakPolarHBondContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.41Å; H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.47Å
102	E	94.6	Very high	95.3	Very high	101 Å²	101	55.3 Å²	55.3	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-42.3	-178.8	-61.4	179.3	-178	0	0	112	R72 N99 V100 L104 E106	R72-E102 IonicContact NH2-OE2 3.69Å; N99-E102 PolarHBondContact O-N 2.84Å; N99-E102 VanDerWaalsContact O-N 3.1Å; V100-E102 PolarHBondContact O-N 3.4Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-E106 VanDerWaalsContact O-CB 3.23Å; E102-E106 WeakPolarHBondContact O-CB 3.34Å; E102-E106 PolarHBondContact O-N 3.38Å
103	W	94.9	Very high	95.1	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-38.9	176.1	-75.9	107.8	0	0	0	112.3	I14 G15 D16 L87 N99 V100 H101 T107	I14-W103 HydrophobicContact CB-CE3 4.07Å; I14-W103 HydrophobicContact CD1-CB 4.24Å; G15-W103 VanDerWaalsContact O-CZ2 3.27Å; G15-W103 WeakPolarHBondContact O-CZ2 3.24Å; D16-W103 PolarHBondContact OD1-NE1 3.26Å; L87-W103 HydrophobicContact CD1-CB 3.55Å; L87-W103 HydrophobicContact CD1-CG 4.37Å; N99-W103 VanDerWaalsContact O-CD1 3.3Å; N99-W103 PolarHBondContact O-N 3.1Å; V100-W103 PolarHBondContact O-N 3.23Å; H101-W103 PolarHBondContact O-N 3.01Å; W103-T107 WeakPolarHBondContact O-CB 3.27Å; W103-T107 PolarHBondContact O-N 3.42Å; W103-T107 VanDerWaalsContact O-N 3.16Å; W103-T107 PolarHBondContact O-OG1 3.06Å
104	L	95.2	Very high	94.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-53.6	178.1	-179.7	62.3	0	0	0	111.5	L87 V100 H101 E102 T107 K108 F118 Y145 M147	L87-L104 HydrophobicContact CD2-CB 3.9Å; L87-L104 HydrophobicContact CD2-CD1 4.22Å; V100-L104 WeakPolarHBondContact O-CB 3.34Å; V100-L104 PolarHBondContact O-N 3.1Å; H101-L104 WeakPolarHBondContact O-CB 3.25Å; H101-L104 PolarHBondContact O-N 2.93Å; E102-L104 VanDerWaalsContact C-N 3.34Å; L104-T107 PolarHBondContact O-N 3Å; L104-K108 HydrophobicContact CD1-CD 4.32Å; L104-K108 HydrophobicContact CD1-CG 4.41Å; L104-K108 HydrophobicContact CG-CD 4.25Å; L104-K108 WeakPolarHBondContact O-CG 3.5Å; L104-K108 PolarHBondContact O-N 3.45Å; L104-F118 HydrophobicContact CD1-CD2 3.45Å; L104-F118 VanDerWaalsContact CD1-CD2 3.45Å; L104-F118 HydrophobicContact CD1-CE2 3.46Å; L104-F118 VanDerWaalsContact CD1-CE2 3.46Å; L104-F118 HydrophobicContact CD1-CG 4.23Å; L104-F118 HydrophobicContact CD1-CZ 4.28Å; L104-Y145 HydrophobicContact CD2-CD1 3.37Å; L104-Y145 HydrophobicContact CD2-CD2 3.78Å; L104-Y145 HydrophobicContact CD2-CE1 3.61Å; L104-Y145 HydrophobicContact CD2-CE2 3.99Å; L104-Y145 HydrophobicContact CD2-CG 3.47Å; L104-Y145 VanDerWaalsContact CD2-CG 3.47Å; L104-M147 HydrophobicContact CD1-CE 3.88Å; L104-M147 HydrophobicContact CD2-CE 3.71Å; L104-M147 HydrophobicContact CG-CE 4.43Å
105	E	94.1	Very high	94.5	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-42.8	-177.3	-68.5	-53	126.3	0	0	111.5	H101 T107 K108 V109	H101-E105 VanDerWaalsContact CE1-CG 3.43Å; H101-E105 WeakPolarHBondContact CE1-CG 3.41Å; H101-E105 WeakPolarHBondContact O-CG 3.37Å; H101-E105 PolarHBondContact O-N 3.41Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 2.91Å; E105-K108 PolarHBondContact O-N 3.31Å; E105-K108 IonicContact OE1-NZ 2.81Å; E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.84Å; E105-V109 VanDerWaalsContact O-N 3.09Å
106	E	91.7	Very high	94.4	Very high	21 Å²	21	53.7 Å²	53.7	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-44.6	175.6	-176.7	172.2	134.1	0	0	111	R72 R76 Y79 E102 H110	R72-E106 VanDerWaalsContact CD-OE1 3.3Å; R72-E106 WeakPolarHBondContact CD-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE2 3.22Å; R72-E106 IonicContact CZ-OE2 2.62Å; R72-E106 IonicContact NE-OE2 3.45Å; R72-E106 IonicContact NH1-OE2 3.56Å; R72-E106 PolarHBondContact NH1-OE2 3.46Å; R76-E106 VanDerWaalsContact CG-OE1 3.32Å; R76-E106 WeakPolarHBondContact CG-OE1 3.32Å; R76-E106 IonicContact CZ-OE1 2.77Å; R76-E106 IonicContact CZ-OE2 2.63Å; R76-E106 VanDerWaalsContact NE-CD 3.27Å; R76-E106 IonicContact NE-OE1 2.79Å; R76-E106 PolarHBondContact NE-OE1 2.96Å; R76-E106 IonicContact NE-OE2 3.85Å; R76-E106 PolarHBondContact NE-OE2 2.78Å; R76-E106 IonicContact NH2-OE1 3.45Å; R76-E106 IonicContact NH2-OE2 2.8Å; R76-E106 PolarHBondContact NH2-OE2 3.1Å; Y79-E106 HydrophobicContact CE2-CG 3.78Å; Y79-E106 WeakPolarHBondContact CE2-OE1 3.44Å; Y79-E106 PolarHBondContact OH-OE1 3.36Å; E102-E106 VanDerWaalsContact O-CB 3.23Å; E102-E106 WeakPolarHBondContact O-CB 3.34Å; E102-E106 PolarHBondContact O-N 3.38Å; E106-H110 PolarHBondContact O-CD2 3.48Å
107	T	92.6	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-45.6	-179.6	-53.3	0	0	0	0	111.5	I14 Y79 W103 L104 E105 V109 H110 V111 I116 F118	I14-T107 HydrophobicContact CD1-CG2 4.42Å; I14-T107 WeakPolarHBondContact CD1-OG1 3.41Å; Y79-T107 HydrophobicContact CD1-CG2 3.86Å; Y79-T107 HydrophobicContact CE1-CG2 4.26Å; Y79-T107 HydrophobicContact CG-CG2 4.27Å; W103-T107 WeakPolarHBondContact O-CB 3.27Å; W103-T107 PolarHBondContact O-N 3.42Å; W103-T107 VanDerWaalsContact O-N 3.16Å; W103-T107 PolarHBondContact O-OG1 3.06Å; L104-T107 PolarHBondContact O-N 3Å; E105-T107 VanDerWaalsContact C-N 3.28Å; E105-T107 PolarHBondContact O-N 2.91Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 3.25Å; T107-H110 PolarHBondContact O-N 2.72Å; T107-V111 HydrophobicContact CG2-CG2 3.73Å; T107-V111 VanDerWaalsContact O-CG2 3.24Å; T107-V111 WeakPolarHBondContact O-CG2 3.34Å; T107-V111 PolarHBondContact O-N 2.89Å; T107-I116 HydrophobicContact CG2-CD1 3.95Å; T107-I116 HydrophobicContact CG2-CG2 4.37Å; T107-F118 HydrophobicContact CG2-CE2 4.37Å; T107-F118 HydrophobicContact CG2-CZ 3.68Å
108	K	92.7	Very high	94.4	Very high	78 Å²	78	54.6 Å²	54.6	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-38.6	-179.9	-79	179.6	175	173.4	0	113.1	L104 E105 H110	L104-K108 HydrophobicContact CD1-CD 4.32Å; L104-K108 HydrophobicContact CD1-CG 4.41Å; L104-K108 HydrophobicContact CG-CD 4.25Å; L104-K108 WeakPolarHBondContact O-CG 3.5Å; L104-K108 PolarHBondContact O-N 3.45Å; E105-K108 PolarHBondContact O-N 3.31Å; E105-K108 IonicContact OE1-NZ 2.81Å; K108-H110 PolarHBondContact O-N 2.63Å
109	V	91.9	Very high	94.4	Very high	102 Å²	102	48.7 Å²	48.7	62%	0.618	24%	0.24	S	C	*	.	H	α-helix	trans	-66.6	-27.6	179.3	171.4	0	0	0	0	112.2	E105 T107	E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.84Å; E105-V109 VanDerWaalsContact O-N 3.09Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 3.25Å
110	H	90.9	Very high	94.5	Very high	70 Å²	70	47.3 Å²	47.3	32%	0.324	23%	0.233	S	C	.	.	H	α-helix	trans	-102.3	-19	-173.8	-70.7	-60.7	0	0	0	114.7	Y79 R80 E106 T107 K108	Y79-H110 HydrophobicContact CD2-CB 3.65Å; Y79-H110 AromaticContact CD2-CD2 3.74Å; Y79-H110 AromaticContact CD2-CG 3.97Å; Y79-H110 HydrophobicContact CG-CB 4.06Å; R80-H110 VanDerWaalsContact CA-O 3.28Å; R80-H110 WeakPolarHBondContact CA-O 3.19Å; E106-H110 PolarHBondContact O-CD2 3.48Å; T107-H110 PolarHBondContact O-N 2.72Å; K108-H110 PolarHBondContact O-N 2.63Å
111	V	92	Very high	94.5	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.073	23%	0.233	C	C	.	.			trans	-76.9	132.5	176.1	-177.3	0	0	0	0	111.1	Y79 S82 T107 Y114 I116	Y79-V111 WeakPolarHBondContact O-CG2 3.48Å; S82-V111 WeakPolarHBondContact O-CG1 3.3Å; T107-V111 HydrophobicContact CG2-CG2 3.73Å; T107-V111 VanDerWaalsContact O-CG2 3.24Å; T107-V111 WeakPolarHBondContact O-CG2 3.34Å; T107-V111 PolarHBondContact O-N 2.89Å; V111-Y114 WeakPolarHBondContact CG1-O 3.13Å; V111-I116 HydrophobicContact CB-CB 4.39Å; V111-I116 HydrophobicContact CB-CG2 4.46Å; V111-I116 HydrophobicContact CG1-CB 4.16Å; V111-I116 HydrophobicContact CG2-CB 4.03Å; V111-I116 HydrophobicContact CG2-CD1 4.14Å; V111-I116 HydrophobicContact CG2-CG2 4.02Å
112	Q	90.6	Very high	94.6	Very high	105 Å²	105	42.9 Å²	42.9	49%	0.491	21%	0.212	S	C	.	.			trans	-145	154.5	172.2	-67.5	-174.9	-6.1	0	0	109.3	R80 W186	R80-Q112 PolarHBondContact O-N 3.32Å; Q112-W186 PolarHBondContact O-NE1 3.46Å
113	P	93.2	Very high	94.8	Very high	66 Å²	66	38.3 Å²	38.3	43%	0.429	19%	0.191	S	C	.	.	S	Bend	cis	-91.4	-10.3	2.1	34.7	-31.5	0	0	0	113.8	W186	P113-W186 VanDerWaalsContact CD-NE1 3.32Å; P113-W186 HydrophobicContact CG-CD2 4.35Å; P113-W186 HydrophobicContact CG-CG 4.35Å
114	Y	92.8	Very high	95	Very high	48 Å²	48	40.5 Å²	40.5	19%	0.188	20%	0.201	C	C	.	.	S	Bend	trans	-103.4	156.1	-179.4	-60.8	-76.4	0	0	0	111.7	V111 I116 E179 I180 T181 Q183 W186	V111-Y114 WeakPolarHBondContact CG1-O 3.13Å; Y114-I116 PolarHBondContact O-N 2.9Å; Y114-E179 WeakPolarHBondContact CE1-O 3.21Å; Y114-I180 HydrophobicContact CD1-CG1 4.26Å; Y114-I180 HydrophobicContact CD2-CG2 4.04Å; Y114-I180 HydrophobicContact CE2-CG2 4.13Å; Y114-I180 HydrophobicContact CG-CG1 4.2Å; Y114-I180 HydrophobicContact CG-CG2 4.42Å; Y114-T181 WeakPolarHBondContact CE2-O 3.46Å; Y114-T181 PolarHBondContact OH-N 2.66Å; Y114-T181 VanDerWaalsContact OH-N 3.12Å; Y114-T181 PolarHBondContact OH-O 2.85Å; Y114-T181 PolarHBondContact OH-OG1 2.96Å; Y114-Q183 HydrophobicContact CE2-CG 4.31Å; Y114-Q183 PolarHBondContact OH-NE2 2.96Å; Y114-W186 HydrophobicContact CD2-CE3 4.2Å; Y114-W186 AromaticContact CD2-CH2 3.46Å; Y114-W186 HydrophobicContact CD2-CH2 3.46Å; Y114-W186 VanDerWaalsContact CD2-CH2 3.46Å; Y114-W186 AromaticContact CD2-CZ2 3.87Å; Y114-W186 HydrophobicContact CD2-CZ2 3.87Å; Y114-W186 AromaticContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CE2-CE3 4.14Å; Y114-W186 HydrophobicContact CE2-CH2 4.06Å; Y114-W186 AromaticContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CG-CH2 4.45Å
115	Q	93.1	Very high	95.1	Very high	168 Å²	168	41.3 Å²	41.3	79%	0.785	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-64.1	132.8	165.2	-76.7	-179.5	81.6	0	0	109.8
116	I	95.8	Very high	95.3	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.072	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-68.9	136.3	175.6	-177.9	166.5	0	0	0	110.9	I12 T107 V111 Y114 F118	I12-I116 HydrophobicContact CG2-CD1 3.87Å; T107-I116 HydrophobicContact CG2-CD1 3.95Å; T107-I116 HydrophobicContact CG2-CG2 4.37Å; V111-I116 HydrophobicContact CB-CB 4.39Å; V111-I116 HydrophobicContact CB-CG2 4.46Å; V111-I116 HydrophobicContact CG1-CB 4.16Å; V111-I116 HydrophobicContact CG2-CB 4.03Å; V111-I116 HydrophobicContact CG2-CD1 4.14Å; V111-I116 HydrophobicContact CG2-CG2 4.02Å; Y114-I116 PolarHBondContact O-N 2.9Å; I116-F118 HydrophobicContact CB-CE2 4.24Å; I116-F118 HydrophobicContact CD1-CE1 4.13Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.8Å; I116-F118 HydrophobicContact CG1-CD2 4.45Å; I116-F118 HydrophobicContact CG1-CE2 4.15Å; I116-F118 HydrophobicContact CG1-CZ 4.19Å; I116-F118 HydrophobicContact CG2-CD2 3.78Å; I116-F118 HydrophobicContact CG2-CE2 3.18Å; I116-F118 HydrophobicContact CG2-CZ 3.82Å
117	V	97.8	Very high	95.6	Very high	25 Å²	25	40.4 Å²	40.4	15%	0.152	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.1	173.3	-175.7	0	0	0	0	109.3	V83 G84 G85 L167 D170 I171 L174 I180	V83-V117 PolarHBondContact O-N 2.78Å; G84-V117 CarbonylContact C-O 3.51Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.47Å; G85-V117 PolarHBondContact N-O 3.38Å; V117-L167 HydrophobicContact CB-CD1 4.09Å; V117-L167 HydrophobicContact CG1-CD1 3.83Å; V117-L167 WeakPolarHBondContact O-CD1 3.28Å; V117-D170 HydrophobicContact CG1-CB 4.1Å; V117-I171 HydrophobicContact CB-CG1 3.91Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 3.91Å; V117-L174 HydrophobicContact CG2-CD1 3.48Å; V117-L174 VanDerWaalsContact CG2-CD1 3.48Å; V117-I180 HydrophobicContact CG2-CD1 4.48Å
118	F	98	Very high	95.9	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.6	179.8	-82.1	-70.6	0	0	0	113.5	I14 G85 L87 L104 T107 I116 M147	I14-F118 HydrophobicContact CD1-CE1 3.65Å; I14-F118 HydrophobicContact CD1-CZ 3.8Å; I14-F118 HydrophobicContact CG1-CE1 4.25Å; G85-F118 WeakPolarHBondContact O-CA 2.83Å; G85-F118 WeakPolarHBondContact O-CD1 3.27Å; L87-F118 HydrophobicContact CB-CD1 3.98Å; L87-F118 HydrophobicContact CB-CE1 4.29Å; L104-F118 HydrophobicContact CD1-CD2 3.45Å; L104-F118 VanDerWaalsContact CD1-CD2 3.45Å; L104-F118 HydrophobicContact CD1-CE2 3.46Å; L104-F118 VanDerWaalsContact CD1-CE2 3.46Å; L104-F118 HydrophobicContact CD1-CG 4.23Å; L104-F118 HydrophobicContact CD1-CZ 4.28Å; T107-F118 HydrophobicContact CG2-CE2 4.37Å; T107-F118 HydrophobicContact CG2-CZ 3.68Å; I116-F118 HydrophobicContact CB-CE2 4.24Å; I116-F118 HydrophobicContact CD1-CE1 4.13Å; I116-F118 HydrophobicContact CD1-CE2 4.23Å; I116-F118 HydrophobicContact CD1-CZ 3.8Å; I116-F118 HydrophobicContact CG1-CD2 4.45Å; I116-F118 HydrophobicContact CG1-CE2 4.15Å; I116-F118 HydrophobicContact CG1-CZ 4.19Å; I116-F118 HydrophobicContact CG2-CD2 3.78Å; I116-F118 HydrophobicContact CG2-CE2 3.18Å; I116-F118 HydrophobicContact CG2-CZ 3.82Å; F118-M147 HydrophobicContact CB-CB 4.47Å; F118-M147 HydrophobicContact CB-CE 4.3Å; F118-M147 WeakPolarHBondContact O-CB 3.4Å
119	V	98.7	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.9	157.8	175.7	0	0	0	0	108.2	G85 L86 L87 V121 K148 I150 L167	G85-V119 PolarHBondContact O-N 3.11Å; G85-V119 VanDerWaalsContact O-N 3.1Å; L86-V119 HydrophobicContact CD2-CB 3.86Å; L86-V119 HydrophobicContact CD2-CG1 4.41Å; L87-V119 PolarHBondContact N-O 3.4Å; V119-V121 HydrophobicContact CG1-CG2 4.13Å; V119-K148 HydrophobicContact CG1-CB 4.46Å; V119-K148 HydrophobicContact CG2-CB 4.47Å; V119-I150 HydrophobicContact CG1-CB 4.43Å; V119-I150 HydrophobicContact CG1-CD1 3.94Å; V119-I150 HydrophobicContact CG1-CG1 4.08Å; V119-L167 HydrophobicContact CG2-CB 3.89Å; V119-L167 HydrophobicContact CG2-CD1 4.26Å
120	L	98.8	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.9	169.8	-170.7	63.7	0	0	0	109.2	L87 F89 V100 L141 A142 M147 K148 Y149 I150	L87-L120 HydrophobicContact CD2-CD1 4.42Å; L87-L120 HydrophobicContact CG-CD1 4.15Å; F89-L120 HydrophobicContact CD1-CD1 3.95Å; F89-L120 HydrophobicContact CD1-CG 4.24Å; F89-L120 HydrophobicContact CE1-CD1 4.1Å; F89-L120 HydrophobicContact CE1-CD2 4.01Å; F89-L120 HydrophobicContact CE1-CG 3.88Å; V100-L120 HydrophobicContact CG1-CD1 3.69Å; V100-L120 HydrophobicContact CG2-CD1 4.16Å; L120-L141 HydrophobicContact CD2-CD2 4.39Å; L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.9Å; L120-M147 HydrophobicContact CB-CG 4.16Å; L120-M147 HydrophobicContact CB-SD 3.58Å; L120-M147 VanDerWaalsContact CB-SD 3.58Å; L120-M147 HydrophobicContact CD1-SD 4.3Å; L120-M147 HydrophobicContact CG-SD 4.38Å; L120-K148 PolarHBondContact N-O 3.14Å; L120-Y149 HydrophobicContact CB-CD2 4.04Å; L120-Y149 HydrophobicContact CD2-CD2 3.86Å; L120-Y149 HydrophobicContact CD2-CE2 4.39Å; L120-Y149 HydrophobicContact CG-CD2 3.88Å; L120-Y149 HydrophobicContact CG-CE2 4.4Å; L120-Y149 WeakPolarHBondContact O-CA 3.45Å; L120-Y149 WeakPolarHBondContact O-CD2 3.39Å; L120-I150 PolarHBondContact O-N 2.92Å
121	V	98.9	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113	-178.3	-179.7	0	0	0	0	110.4	L24 L86 L87 L88 F89 V119 H123 I150 T152 A163	L24-V121 HydrophobicContact CD2-CG1 4.24Å; L86-V121 HydrophobicContact CB-CG2 4.3Å; L86-V121 HydrophobicContact CD2-CG2 4.03Å; L87-V121 PolarHBondContact O-N 3.2Å; L88-V121 WeakPolarHBondContact CA-O 3.42Å; L88-V121 HydrophobicContact CD1-CB 3.84Å; L88-V121 HydrophobicContact CD1-CG1 4.33Å; L88-V121 HydrophobicContact CD1-CG2 4.12Å; L88-V121 HydrophobicContact CG-CB 3.86Å; L88-V121 HydrophobicContact CG-CG1 4.02Å; F89-V121 WeakPolarHBondContact CD1-O 3.27Å; F89-V121 PolarHBondContact N-O 3.24Å; V119-V121 HydrophobicContact CG1-CG2 4.13Å; V121-H123 PolarHBondContact O-N 2.92Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.49Å; V121-T152 HydrophobicContact CG1-CG2 3.76Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.43Å; V121-A163 HydrophobicContact CG2-CB 4.46Å
122	G	98.9	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	100.5	166.8	0	0	0	0	0	109.1	I150 E151 T152	G122-I150 PolarHBondContact N-O 3.25Å; G122-E151 CarbonylContact O-C 3.51Å; G122-E151 WeakPolarHBondContact O-CA 3.41Å; G122-T152 PolarHBondContact O-N 3.01Å
123	H	98.7	Very high	97.5	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.5	-176.2	-158.5	42.3	0	0	0	112.7	V19 F89 I91 V121 T152 A154	V19-H123 PolarHBondContact O-CD2 2.81Å; F89-H123 WeakPolarHBondContact O-CB 3.37Å; F89-H123 PolarHBondContact O-N 3.25Å; I91-H123 WeakPolarHBondContact CG1-O 3.3Å; I91-H123 PolarHBondContact N-O 3Å; V121-H123 PolarHBondContact O-N 2.92Å; H123-T152 CarbonylContact C-O 3.6Å; H123-T152 WeakPolarHBondContact CA-O 3.41Å; H123-T152 PolarHBondContact ND1-O 2.88Å; H123-T152 VanDerWaalsContact ND1-O 3.11Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; H123-A154 PolarHBondContact CE1-N 2.95Å
124	K	98.1	Very high	97.8	Very high	48 Å²	48	47.3 Å²	47.3	21%	0.209	24%	0.239	C	C	.	.			trans	65.9	36.9	-178.1	-47	-172.2	-164.4	165.5	0	113.8	T18 V19 D90 I91 D126 L127 T152	T18-K124 WeakPolarHBondContact O-CE 3.48Å; T18-K124 PolarHBondContact O-NZ 3.03Å; V19-K124 WeakPolarHBondContact O-CE 3.3Å; D90-K124 WeakPolarHBondContact OD2-CD 3.24Å; D90-K124 VanDerWaalsContact OD2-CE 3.24Å; D90-K124 WeakPolarHBondContact OD2-CE 3.4Å; D90-K124 IonicContact OD2-NZ 3.79Å; D90-K124 PolarHBondContact OD2-NZ 3.25Å; I91-K124 WeakPolarHBondContact CG1-O 3.23Å; K124-D126 VanDerWaalsContact CA-OD1 3.29Å; K124-D126 WeakPolarHBondContact CA-OD1 3.37Å; K124-D126 PolarHBondContact O-N 3.44Å; K124-L127 HydrophobicContact CB-CD1 4.22Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.81Å; K124-T152 PolarHBondContact N-O 2.89Å
125	C	98.5	Very high	98	Very high	18 Å²	18	52.4 Å²	52.4	12%	0.122	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62.5	-14.2	177.4	70	0	0	0	0	113.8	I91 L127 D128 E151 T152	I91-C125 HydrophobicContact CD1-CB 4.43Å; C125-L127 PolarHBondContact O-N 2.79Å; C125-D128 PolarHBondContact O-N 2.98Å; C125-E151 HydrophobicContact CB-CB 3.98Å; C125-T152 PolarHBondContact N-O 3.36Å; C125-T152 VanDerWaalsContact N-O 3.17Å; C125-T152 PolarHBondContact SG-O 3.22Å
126	D	98.1	Very high	98.3	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.16	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-70	-8	171	62.6	-86.9	0	0	0	114.5	K124 S153 R155 D156	K124-D126 VanDerWaalsContact CA-OD1 3.29Å; K124-D126 WeakPolarHBondContact CA-OD1 3.37Å; K124-D126 PolarHBondContact O-N 3.44Å; D126-S153 VanDerWaalsContact CB-OG 3.27Å; D126-S153 WeakPolarHBondContact CB-OG 3.45Å; D126-S153 WeakPolarHBondContact OD1-CB 3.11Å; D126-S153 PolarHBondContact OD1-OG 2.65Å; D126-R155 VanDerWaalsContact CB-NH2 3.31Å; D126-R155 PolarHBondContact O-NH2 2.65Å; D126-R155 IonicContact OD2-CZ 2.83Å; D126-R155 IonicContact OD2-NE 3.17Å; D126-R155 PolarHBondContact OD2-NE 2.98Å; D126-R155 IonicContact OD2-NH1 2.64Å; D126-R155 PolarHBondContact OD2-NH1 3.06Å; D126-R155 IonicContact OD2-NH2 3.44Å; D126-R155 PolarHBondContact OD2-NH2 3.09Å; D126-D156 HydrophobicContact CB-CB 4.44Å; D126-D156 WeakPolarHBondContact CB-OD2 3.48Å
127	L	97.7	Very high	98.4	Very high	42 Å²	42	52.7 Å²	52.7	22%	0.22	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-108.7	37.3	173.9	-59.9	178.4	0	0	0	111.4	T92 K124 C125 T129 Q130	T92-L127 HydrophobicContact CG2-CB 3.58Å; T92-L127 HydrophobicContact CG2-CD1 4.12Å; K124-L127 HydrophobicContact CB-CD1 4.22Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 PolarHBondContact O-N 2.81Å; C125-L127 PolarHBondContact O-N 2.79Å; L127-T129 PolarHBondContact O-N 2.76Å; L127-T129 VanDerWaalsContact O-N 3.11Å; L127-Q130 WeakPolarHBondContact O-CA 3.35Å; L127-Q130 PolarHBondContact O-N 3.39Å
128	D	98	Very high	98.5	Very high	94 Å²	94	51.5 Å²	51.5	50%	0.503	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-55.5	-32	-174.3	-164	62.7	0	0	0	113.9	C125 Q130 R131	C125-D128 PolarHBondContact O-N 2.98Å; D128-Q130 PolarHBondContact O-N 2.79Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 PolarHBondContact O-N 2.87Å; D128-R131 IonicContact OD1-CZ 2.68Å; D128-R131 VanDerWaalsContact OD1-CZ 3.23Å; D128-R131 IonicContact OD1-NE 3.68Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 3.85Å; D128-R131 PolarHBondContact OD1-NH2 3.01Å
129	T	98.2	Very high	98.5	Very high	141 Å²	141	54.3 Å²	54.3	87%	0.865	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.7	175.4	57.4	0	0	0	0	114	L127	L127-T129 PolarHBondContact O-N 2.76Å; L127-T129 VanDerWaalsContact O-N 3.11Å
130	Q	98.4	Very high	98.5	Very high	113 Å²	113	61.4 Å²	61.4	53%	0.528	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-108.4	10.9	177.6	-58.5	176.9	39.9	0	0	112	T92 L127 D128 Q132	T92-Q130 WeakPolarHBondContact CA-O 3.5Å; T92-Q130 HydrophobicContact CG2-CB 3.85Å; L127-Q130 WeakPolarHBondContact O-CA 3.35Å; L127-Q130 PolarHBondContact O-N 3.39Å; D128-Q130 PolarHBondContact O-N 2.79Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; Q130-Q132 PolarHBondContact O-N 2.87Å
131	R	98.7	Very high	98.5	Very high	64 Å²	64	63.3 Å²	63.3	24%	0.242	31%	0.305	C	S	.	.			trans	-57.5	127.3	-177.2	179.1	179.4	-68.7	-91.8	6.8	111.4	I91 D128 V133 E151	I91-R131 HydrophobicContact CD1-CB 4.25Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; D128-R131 WeakPolarHBondContact O-CB 3.26Å; D128-R131 PolarHBondContact O-N 2.87Å; D128-R131 IonicContact OD1-CZ 2.68Å; D128-R131 VanDerWaalsContact OD1-CZ 3.23Å; D128-R131 IonicContact OD1-NE 3.68Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 3.85Å; D128-R131 PolarHBondContact OD1-NH2 3.01Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.31Å; R131-V133 WeakPolarHBondContact CG-O 3.46Å; R131-V133 PolarHBondContact NH1-O 3.44Å; R131-E151 IonicContact CZ-OE1 3.93Å; R131-E151 IonicContact CZ-OE2 3.23Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 3.47Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 IonicContact NH2-OE1 2.85Å; R131-E151 PolarHBondContact NH2-OE1 3.37Å; R131-E151 IonicContact NH2-OE2 2.8Å; R131-E151 PolarHBondContact NH2-OE2 2.97Å
132	Q	98.7	Very high	98.5	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	31%	0.306	S	S	.	.			trans	-109.2	-15.4	172.3	-63.6	-172.7	7.7	0	0	112.9	I91 T92 R94 Q130	I91-Q132 PolarHBondContact O-N 2.9Å; T92-Q132 VanDerWaalsContact O-CG 3.27Å; T92-Q132 WeakPolarHBondContact O-CG 3.47Å; T92-Q132 PolarHBondContact O-NE2 3.3Å; T92-Q132 PolarHBondContact O-OE1 3.34Å; R94-Q132 HydrophobicContact CB-CB 4.11Å; R94-Q132 VanDerWaalsContact CZ-O 3.28Å; R94-Q132 VanDerWaalsContact N-OE1 3.08Å; R94-Q132 PolarHBondContact NE-O 2.94Å; R94-Q132 PolarHBondContact NH2-O 3.46Å; Q130-Q132 PolarHBondContact O-N 2.87Å
133	V	98.7	Very high	98.4	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-121.6	118.7	178.9	-176.6	0	0	0	0	109.2	F89 I91 R94 F97 R131 E137 A138	F89-V133 HydrophobicContact CE2-CB 4.05Å; F89-V133 HydrophobicContact CE2-CG1 3.91Å; F89-V133 HydrophobicContact CE2-CG2 4.37Å; F89-V133 HydrophobicContact CZ-CG1 4.3Å; I91-V133 PolarHBondContact O-N 3.31Å; I91-V133 VanDerWaalsContact O-N 3.12Å; R94-V133 HydrophobicContact CB-CG2 4.28Å; F97-V133 HydrophobicContact CB-CG1 4.36Å; F97-V133 HydrophobicContact CB-CG2 3.68Å; F97-V133 HydrophobicContact CD1-CG1 3.98Å; F97-V133 HydrophobicContact CD1-CG2 4.22Å; F97-V133 HydrophobicContact CD2-CG1 3.86Å; F97-V133 HydrophobicContact CE1-CG1 4.18Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.8Å; F97-V133 HydrophobicContact CG-CG2 3.97Å; F97-V133 HydrophobicContact CZ-CG1 4.21Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.31Å; R131-V133 WeakPolarHBondContact CG-O 3.46Å; R131-V133 PolarHBondContact NH1-O 3.44Å; V133-E137 HydrophobicContact CG1-CB 4.29Å; V133-A138 HydrophobicContact CG1-CB 4.43Å
134	T	98.5	Very high	98.4	Very high	64 Å²	64	70.6 Å²	70.6	39%	0.393	37%	0.367	S	S	.	.			trans	-72	152.1	179.5	65.4	0	0	0	0	110.8	H136 E137 A138	T134-H136 PolarHBondContact O-N 2.75Å; T134-E137 WeakPolarHBondContact CB-OE2 3.4Å; T134-E137 PolarHBondContact N-OE2 3.06Å; T134-E137 PolarHBondContact O-N 3.32Å; T134-E137 VanDerWaalsContact OG1-CG 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.27Å; T134-E137 PolarHBondContact OG1-N 3.22Å; T134-E137 PolarHBondContact OG1-OE2 3.26Å; T134-A138 PolarHBondContact O-N 2.96Å
135	R	98.3	Very high	98.3	Very high	154 Å²	154	71.6 Å²	71.6	58%	0.581	37%	0.37	S	S	*	.	H	α-helix	trans	-54.7	-39.8	172.6	176.1	164.6	-179.4	170.2	1.9	111.9	A138 E139 Y149	R135-A138 PolarHBondContact O-N 2.62Å; R135-E139 HydrophobicContact CG-CG 4.18Å; R135-E139 WeakPolarHBondContact CG-OE1 3.47Å; R135-E139 IonicContact CZ-OE1 3.15Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.42Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 PolarHBondContact NH2-OE1 3.21Å; R135-E139 WeakPolarHBondContact O-CB 3.18Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.32Å; R135-Y149 HydrophobicContact CG-CE1 4.17Å
136	H	98.6	Very high	98.2	Very high	134 Å²	134	74.3 Å²	74.3	62%	0.62	40%	0.4	S	S	*	.	H	α-helix	trans	-62.1	-43.7	178.5	-178	69.5	0	0	0	113	T134 A138 E139 K140	T134-H136 PolarHBondContact O-N 2.75Å; H136-A138 VanDerWaalsContact C-N 3.34Å; H136-A138 PolarHBondContact O-N 3.34Å; H136-E139 PolarHBondContact O-N 3.48Å; H136-K140 VanDerWaalsContact O-CB 3.31Å; H136-K140 WeakPolarHBondContact O-CB 3.49Å; H136-K140 PolarHBondContact O-N 3.2Å
137	E	98.6	Very high	98.2	Very high	55 Å²	55	73.8 Å²	73.8	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176.7	-73.9	166.7	112.8	0	0	111.8	R94 F97 V133 T134 K140 L141	R94-E137 IonicContact CZ-OE1 3.02Å; R94-E137 IonicContact CZ-OE2 2.7Å; R94-E137 IonicContact NH1-OE1 3.63Å; R94-E137 PolarHBondContact NH1-OE1 3.02Å; R94-E137 IonicContact NH2-OE1 2.69Å; R94-E137 PolarHBondContact NH2-OE1 3.11Å; R94-E137 IonicContact NH2-OE2 3.94Å; R94-E137 PolarHBondContact NH2-OE2 2.9Å; F97-E137 HydrophobicContact CE1-CB 4.46Å; F97-E137 HydrophobicContact CZ-CB 4.29Å; V133-E137 HydrophobicContact CG1-CB 4.29Å; T134-E137 WeakPolarHBondContact CB-OE2 3.4Å; T134-E137 PolarHBondContact N-OE2 3.06Å; T134-E137 PolarHBondContact O-N 3.32Å; T134-E137 VanDerWaalsContact OG1-CG 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.27Å; T134-E137 PolarHBondContact OG1-N 3.22Å; T134-E137 PolarHBondContact OG1-OE2 3.26Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-L141 PolarHBondContact O-N 2.93Å
138	A	98.7	Very high	98.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-70.1	-40	-179.9	0	0	0	0	0	112.7	F89 F97 V133 T134 R135 H136 K140 L141 A142 Y149	F89-A138 HydrophobicContact CE1-CB 4.21Å; F89-A138 HydrophobicContact CZ-CB 3.69Å; F97-A138 HydrophobicContact CE2-CB 4.1Å; V133-A138 HydrophobicContact CG1-CB 4.43Å; T134-A138 PolarHBondContact O-N 2.96Å; R135-A138 PolarHBondContact O-N 2.62Å; H136-A138 VanDerWaalsContact C-N 3.34Å; H136-A138 PolarHBondContact O-N 3.34Å; A138-K140 VanDerWaalsContact C-N 3.35Å; A138-L141 PolarHBondContact O-N 3.2Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 2.87Å; A138-Y149 HydrophobicContact CB-CD1 4.19Å; A138-Y149 HydrophobicContact CB-CD2 3.98Å; A138-Y149 HydrophobicContact CB-CE1 3.69Å; A138-Y149 HydrophobicContact CB-CE2 3.46Å; A138-Y149 VanDerWaalsContact CB-CE2 3.46Å; A138-Y149 HydrophobicContact CB-CG 4.3Å; A138-Y149 WeakPolarHBondContact CB-OH 3.38Å
139	E	98.7	Very high	98.2	Very high	76 Å²	76	73 Å²	73	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-41.8	172.5	-74.3	172.6	166.5	0	0	111.5	R135 H136 A142 A143 Y149	R135-E139 HydrophobicContact CG-CG 4.18Å; R135-E139 WeakPolarHBondContact CG-OE1 3.47Å; R135-E139 IonicContact CZ-OE1 3.15Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.42Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 PolarHBondContact NH2-OE1 3.21Å; R135-E139 WeakPolarHBondContact O-CB 3.18Å; R135-E139 VanDerWaalsContact O-CG 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 3.32Å; H136-E139 PolarHBondContact O-N 3.48Å; E139-A142 PolarHBondContact O-N 3.45Å; E139-A143 WeakPolarHBondContact O-CB 3.29Å; E139-A143 PolarHBondContact O-N 3.15Å; E139-Y149 HydrophobicContact CG-CD1 3.63Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.41Å
140	K	98.6	Very high	98.3	Very high	149 Å²	149	66.7 Å²	66.7	65%	0.648	35%	0.348	S	S	*	.	H	α-helix	trans	-61.5	-44.5	175.5	-176.7	179.2	179.3	-179.8	0	111.9	H136 E137 A138 A144	H136-K140 VanDerWaalsContact O-CB 3.31Å; H136-K140 WeakPolarHBondContact O-CB 3.49Å; H136-K140 PolarHBondContact O-N 3.2Å; E137-K140 PolarHBondContact O-N 3.4Å; A138-K140 VanDerWaalsContact C-N 3.35Å; K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.24Å
141	L	98.5	Very high	98.3	Very high	39 Å²	39	62.7 Å²	62.7	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-44.9	177.1	-170.6	71.1	0	0	0	111.4	F97 V100 L120 E137 A138 A143 A144 Y145	F97-L141 HydrophobicContact CD2-CD2 4.06Å; F97-L141 HydrophobicContact CE1-CD2 4.46Å; F97-L141 HydrophobicContact CE2-CB 4.01Å; F97-L141 HydrophobicContact CE2-CD2 3.36Å; F97-L141 HydrophobicContact CE2-CG 4.3Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.61Å; F97-L141 HydrophobicContact CZ-CG 4.26Å; V100-L141 HydrophobicContact CB-CD2 4.09Å; V100-L141 HydrophobicContact CG1-CD2 3.78Å; L120-L141 HydrophobicContact CD2-CD2 4.39Å; E137-L141 PolarHBondContact O-N 2.93Å; A138-L141 PolarHBondContact O-N 3.2Å; L141-A143 PolarHBondContact O-N 2.96Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 3.5Å; L141-Y145 HydrophobicContact CD1-CD2 4.18Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.46Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.8Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.49Å; L141-Y145 PolarHBondContact O-N 2.55Å
142	A	98.6	Very high	98.3	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-44.5	178.8	0	0	0	0	0	111.8	L120 A138 E139 A144 Y145 G146 M147	L120-A142 HydrophobicContact CB-CB 4.21Å; L120-A142 HydrophobicContact CD2-CB 3.9Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 2.87Å; E139-A142 PolarHBondContact O-N 3.45Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.77Å; A142-Y145 CarbonylContact O-C 3.58Å; A142-Y145 PolarHBondContact O-N 2.85Å; A142-G146 PolarHBondContact O-N 2.76Å; A142-M147 CarbonylContact C-O 3.42Å; A142-M147 HydrophobicContact CB-CG 3.85Å; A142-M147 WeakPolarHBondContact CB-O 3.41Å; A142-M147 WeakPolarHBondContact O-CG 3.35Å; A142-M147 PolarHBondContact O-N 3.5Å
143	A	98.2	Very high	98.3	Very high	76 Å²	76	54.7 Å²	54.7	63%	0.628	29%	0.294	S	S	*	.	H	α-helix	trans	-61	-42	175.5	0	0	0	0	0	112.1	E139 L141 Y145 G146	E139-A143 WeakPolarHBondContact O-CB 3.29Å; E139-A143 PolarHBondContact O-N 3.15Å; L141-A143 PolarHBondContact O-N 2.96Å; A143-Y145 PolarHBondContact O-N 3.22Å; A143-G146 PolarHBondContact O-N 3.43Å; A143-G146 VanDerWaalsContact O-N 3.11Å
144	A	97.9	Very high	98.2	Very high	81 Å²	81	54.7 Å²	54.7	67%	0.669	29%	0.294	S	S	*	.	H	α-helix	trans	-60.9	-29.4	177.8	0	0	0	0	0	113.1	K140 L141 A142	K140-A144 WeakPolarHBondContact O-CB 3.31Å; K140-A144 PolarHBondContact O-N 3.24Å; L141-A144 WeakPolarHBondContact O-CB 3.42Å; L141-A144 PolarHBondContact O-N 3.5Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.77Å
145	Y	96.8	Very high	98.2	Very high	69 Å²	69	56.2 Å²	56.2	27%	0.271	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.4	176.5	-66.1	-58.7	0	0	0	114.6	H101 L104 L141 A142 A143 M147	H101-Y145 AromaticContact ND1-CZ 3.76Å; H101-Y145 PolarHBondContact ND1-OH 3.47Å; L104-Y145 HydrophobicContact CD2-CD1 3.37Å; L104-Y145 HydrophobicContact CD2-CD2 3.78Å; L104-Y145 HydrophobicContact CD2-CE1 3.61Å; L104-Y145 HydrophobicContact CD2-CE2 3.99Å; L104-Y145 HydrophobicContact CD2-CG 3.47Å; L104-Y145 VanDerWaalsContact CD2-CG 3.47Å; L141-Y145 HydrophobicContact CD1-CD2 4.18Å; L141-Y145 HydrophobicContact CD1-CE2 3.53Å; L141-Y145 HydrophobicContact CD2-CE2 4.46Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.8Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.49Å; L141-Y145 PolarHBondContact O-N 2.55Å; A142-Y145 CarbonylContact O-C 3.58Å; A142-Y145 PolarHBondContact O-N 2.85Å; A143-Y145 PolarHBondContact O-N 3.22Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.98Å; Y145-M147 HydrophobicContact CG-CE 3.86Å; Y145-M147 PolarHBondContact O-N 2.74Å
146	G	96.3	Very high	98.1	Very high	74 Å²	74	52.8 Å²	52.8	76%	0.763	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	30	-179.6	0	0	0	0	0	114.2	A142 A143	A142-G146 PolarHBondContact O-N 2.76Å; A143-G146 PolarHBondContact O-N 3.43Å; A143-G146 VanDerWaalsContact O-N 3.11Å
147	M	97	Very high	98.1	Very high	20 Å²	20	49 Å²	49	10%	0.099	28%	0.278	C	S	.	.			trans	-111.9	153.1	179	57.9	-178.6	78.9	0	0	111.6	L87 L104 F118 L120 A142 Y145	L87-M147 HydrophobicContact CD2-CE 4.37Å; L104-M147 HydrophobicContact CD1-CE 3.88Å; L104-M147 HydrophobicContact CD2-CE 3.71Å; L104-M147 HydrophobicContact CG-CE 4.43Å; F118-M147 HydrophobicContact CB-CB 4.47Å; F118-M147 HydrophobicContact CB-CE 4.3Å; F118-M147 WeakPolarHBondContact O-CB 3.4Å; L120-M147 HydrophobicContact CB-CG 4.16Å; L120-M147 HydrophobicContact CB-SD 3.58Å; L120-M147 VanDerWaalsContact CB-SD 3.58Å; L120-M147 HydrophobicContact CD1-SD 4.3Å; L120-M147 HydrophobicContact CG-SD 4.38Å; A142-M147 CarbonylContact C-O 3.42Å; A142-M147 HydrophobicContact CB-CG 3.85Å; A142-M147 WeakPolarHBondContact CB-O 3.41Å; A142-M147 WeakPolarHBondContact O-CG 3.35Å; A142-M147 PolarHBondContact O-N 3.5Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.98Å; Y145-M147 HydrophobicContact CG-CE 3.86Å; Y145-M147 PolarHBondContact O-N 2.74Å
148	K	98	Very high	98.1	Very high	86 Å²	86	49.7 Å²	49.7	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	149.5	167.9	-68.4	176.3	-176.6	163.9	0	109.8	V119 L120 D170	V119-K148 HydrophobicContact CG1-CB 4.46Å; V119-K148 HydrophobicContact CG2-CB 4.47Å; L120-K148 PolarHBondContact N-O 3.14Å; K148-D170 VanDerWaalsContact CE-OD2 3.22Å; K148-D170 WeakPolarHBondContact CE-OD2 3.17Å; K148-D170 IonicContact NZ-OD1 3.54Å; K148-D170 PolarHBondContact NZ-OD1 2.9Å; K148-D170 IonicContact NZ-OD2 3.69Å; K148-D170 PolarHBondContact NZ-OD2 3.27Å
149	Y	98.7	Very high	98.1	Very high	34 Å²	34	53 Å²	53	13%	0.133	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.4	170	176.8	-119.1	0	0	0	111	F89 L120 R135 A138 E139 E151	F89-Y149 AromaticContact CE1-CE2 3.73Å; F89-Y149 HydrophobicContact CE1-CE2 3.73Å; F89-Y149 AromaticContact CZ-CE2 3.75Å; F89-Y149 HydrophobicContact CZ-CE2 3.75Å; L120-Y149 HydrophobicContact CB-CD2 4.04Å; L120-Y149 HydrophobicContact CD2-CD2 3.86Å; L120-Y149 HydrophobicContact CD2-CE2 4.39Å; L120-Y149 HydrophobicContact CG-CD2 3.88Å; L120-Y149 HydrophobicContact CG-CE2 4.4Å; L120-Y149 WeakPolarHBondContact O-CA 3.45Å; L120-Y149 WeakPolarHBondContact O-CD2 3.39Å; R135-Y149 HydrophobicContact CG-CE1 4.17Å; A138-Y149 HydrophobicContact CB-CD1 4.19Å; A138-Y149 HydrophobicContact CB-CD2 3.98Å; A138-Y149 HydrophobicContact CB-CE1 3.69Å; A138-Y149 HydrophobicContact CB-CE2 3.46Å; A138-Y149 VanDerWaalsContact CB-CE2 3.46Å; A138-Y149 HydrophobicContact CB-CG 4.3Å; A138-Y149 WeakPolarHBondContact CB-OH 3.38Å; E139-Y149 HydrophobicContact CG-CD1 3.63Å; E139-Y149 HydrophobicContact CG-CE1 4.34Å; E139-Y149 HydrophobicContact CG-CG 4.41Å; Y149-E151 HydrophobicContact CE1-CG 3.64Å; Y149-E151 HydrophobicContact CE2-CG 4.36Å; Y149-E151 VanDerWaalsContact CZ-CG 3.43Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.18Å
150	I	98.7	Very high	98.1	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.7	176.7	-57.8	177.4	0	0	0	109.5	V119 L120 V121 G122 T152 N159 K162 D166	V119-I150 HydrophobicContact CG1-CB 4.43Å; V119-I150 HydrophobicContact CG1-CD1 3.94Å; V119-I150 HydrophobicContact CG1-CG1 4.08Å; L120-I150 PolarHBondContact O-N 2.92Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.49Å; G122-I150 PolarHBondContact N-O 3.25Å; I150-T152 HydrophobicContact CG2-CG2 3.99Å; I150-N159 HydrophobicContact CG2-CB 3.73Å; I150-K162 HydrophobicContact CD1-CG 4.36Å; I150-D166 HydrophobicContact CD1-CB 4.19Å; I150-D166 WeakPolarHBondContact CD1-OD2 3.44Å
151	E	98.8	Very high	98	Very high	28 Å²	28	46.5 Å²	46.5	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.7	168.9	-71.1	-168.7	177.7	0	0	110.9	G122 C125 R131 Y149 N159	G122-E151 CarbonylContact O-C 3.51Å; G122-E151 WeakPolarHBondContact O-CA 3.41Å; C125-E151 HydrophobicContact CB-CB 3.98Å; R131-E151 IonicContact CZ-OE1 3.93Å; R131-E151 IonicContact CZ-OE2 3.23Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 3.47Å; R131-E151 IonicContact NH1-OE2 2.76Å; R131-E151 IonicContact NH2-OE1 2.85Å; R131-E151 PolarHBondContact NH2-OE1 3.37Å; R131-E151 IonicContact NH2-OE2 2.8Å; R131-E151 PolarHBondContact NH2-OE2 2.97Å; Y149-E151 HydrophobicContact CE1-CG 3.64Å; Y149-E151 HydrophobicContact CE2-CG 4.36Å; Y149-E151 VanDerWaalsContact CZ-CG 3.43Å; Y149-E151 WeakPolarHBondContact OH-CG 3.46Å; Y149-E151 PolarHBondContact OH-OE1 3.18Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.18Å
152	T	98.8	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.2	-176.1	60.2	0	0	0	0	112.6	L24 V121 G122 H123 K124 C125 I150 I158 N159 A163	L24-T152 HydrophobicContact CD1-CG2 4.45Å; V121-T152 HydrophobicContact CG1-CG2 3.76Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.43Å; G122-T152 PolarHBondContact O-N 3.01Å; H123-T152 CarbonylContact C-O 3.6Å; H123-T152 WeakPolarHBondContact CA-O 3.41Å; H123-T152 PolarHBondContact ND1-O 2.88Å; H123-T152 VanDerWaalsContact ND1-O 3.11Å; H123-T152 PolarHBondContact ND1-OG1 2.93Å; K124-T152 PolarHBondContact N-O 2.89Å; C125-T152 PolarHBondContact N-O 3.36Å; C125-T152 VanDerWaalsContact N-O 3.17Å; C125-T152 PolarHBondContact SG-O 3.22Å; I150-T152 HydrophobicContact CG2-CG2 3.99Å; T152-I158 CarbonylContact C-O 3.44Å; T152-I158 VanDerWaalsContact CA-O 3.26Å; T152-I158 WeakPolarHBondContact CA-O 3.45Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; T152-A163 HydrophobicContact CG2-CB 3.95Å
153	S	98.5	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.281	C	S	.	.			trans	-130.6	122.7	167	176.6	0	0	0	0	110.3	D126 R155 D156 A157 I158 V160	D126-S153 VanDerWaalsContact CB-OG 3.27Å; D126-S153 WeakPolarHBondContact CB-OG 3.45Å; D126-S153 WeakPolarHBondContact OD1-CB 3.11Å; D126-S153 PolarHBondContact OD1-OG 2.65Å; S153-R155 VanDerWaalsContact C-N 3.34Å; S153-R155 PolarHBondContact OG-N 2.65Å; S153-D156 PolarHBondContact OG-N 2.98Å; S153-A157 CarbonylContact O-C 3.59Å; S153-A157 WeakPolarHBondContact O-CA 3.36Å; S153-A157 PolarHBondContact O-N 3.41Å; S153-I158 PolarHBondContact N-O 3.38Å; S153-I158 PolarHBondContact O-N 2.96Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.45Å
154	A	97.8	Very high	98.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-75.9	-29.7	171.7	0	0	0	0	0	110.7	C23 R27 F33 H123	C23-A154 HydrophobicContact CB-CB 3.94Å; R27-A154 HydrophobicContact CB-CB 4.19Å; R27-A154 PolarHBondContact NE-O 3.13Å; R27-A154 PolarHBondContact NH2-O 2.73Å; R27-A154 VanDerWaalsContact NH2-O 3.17Å; F33-A154 HydrophobicContact CD2-CB 3.83Å; F33-A154 HydrophobicContact CE2-CB 4.16Å; H123-A154 PolarHBondContact CE1-N 2.95Å
155	R	97.2	Very high	98	Very high	96 Å²	96	43 Å²	43	36%	0.362	23%	0.229	S	C	.	.	S	Bend	trans	-64.2	-56.3	177.3	-171.6	-175.9	75.4	-161.7	13.5	110.5	R27 F33 D126 S153	R27-R155 PolarHBondContact NH2-O 3.33Å; F33-R155 HydrophobicContact CD1-CB 4.4Å; F33-R155 HydrophobicContact CD1-CG 4.28Å; F33-R155 HydrophobicContact CE1-CB 4.02Å; F33-R155 HydrophobicContact CE1-CG 3.85Å; F33-R155 HydrophobicContact CE2-CB 4.19Å; F33-R155 HydrophobicContact CZ-CB 3.91Å; F33-R155 HydrophobicContact CZ-CG 4.18Å; D126-R155 VanDerWaalsContact CB-NH2 3.31Å; D126-R155 PolarHBondContact O-NH2 2.65Å; D126-R155 IonicContact OD2-CZ 2.83Å; D126-R155 IonicContact OD2-NE 3.17Å; D126-R155 PolarHBondContact OD2-NE 2.98Å; D126-R155 IonicContact OD2-NH1 2.64Å; D126-R155 PolarHBondContact OD2-NH1 3.06Å; D126-R155 IonicContact OD2-NH2 3.44Å; D126-R155 PolarHBondContact OD2-NH2 3.09Å; S153-R155 VanDerWaalsContact C-N 3.34Å; S153-R155 PolarHBondContact OG-N 2.65Å
156	D	97.8	Very high	98.1	Very high	82 Å²	82	41 Å²	41	44%	0.439	22%	0.223	S	C	.	.	S	Bend	trans	-95.8	6.6	-172.2	-59.8	-6.1	0	0	0	112.2	D126 S153 I158	D126-D156 HydrophobicContact CB-CB 4.44Å; D126-D156 WeakPolarHBondContact CB-OD2 3.48Å; S153-D156 PolarHBondContact OG-N 2.98Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.97Å; D156-I158 PolarHBondContact O-N 3.35Å; D156-I158 VanDerWaalsContact O-N 3.16Å
157	A	97.6	Very high	98.2	Very high	55 Å²	55	37.4 Å²	37.4	46%	0.455	19%	0.187	S	C	.	.			trans	56.7	23.2	-177.6	0	0	0	0	0	115	S153 N159	S153-A157 CarbonylContact O-C 3.59Å; S153-A157 WeakPolarHBondContact O-CA 3.36Å; S153-A157 PolarHBondContact O-N 3.41Å; A157-N159 PolarHBondContact O-N 2.8Å
158	I	98.7	Very high	98.3	Very high	69 Å²	69	36.5 Å²	36.5	35%	0.354	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	124.6	-179.7	-61.3	170	0	0	0	109.8	T152 S153 D156 V160	T152-I158 CarbonylContact C-O 3.44Å; T152-I158 VanDerWaalsContact CA-O 3.26Å; T152-I158 WeakPolarHBondContact CA-O 3.45Å; S153-I158 PolarHBondContact N-O 3.38Å; S153-I158 PolarHBondContact O-N 2.96Å; D156-I158 HydrophobicContact CB-CD1 3.93Å; D156-I158 HydrophobicContact CB-CG1 3.97Å; D156-I158 PolarHBondContact O-N 3.35Å; D156-I158 VanDerWaalsContact O-N 3.16Å; I158-V160 PolarHBondContact O-N 2.94Å
159	N	98.6	Very high	98.3	Very high	68 Å²	68	38 Å²	38	36%	0.364	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	16.1	175.1	-64.3	-37.6	0	0	0	115.8	I150 E151 T152 A157 K162 A163	I150-N159 HydrophobicContact CG2-CB 3.73Å; E151-N159 WeakPolarHBondContact O-CB 3.31Å; E151-N159 PolarHBondContact O-ND2 3.18Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; A157-N159 PolarHBondContact O-N 2.8Å; N159-K162 HydrophobicContact CB-CB 4.2Å; N159-K162 PolarHBondContact O-N 3.23Å; N159-A163 PolarHBondContact O-N 3.32Å
160	V	98.6	Very high	98.2	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-54.7	-178.8	178.5	0	0	0	0	110.2	L24 R27 F28 S153 I158 K162 A163 F164	L24-V160 HydrophobicContact CD1-CB 4.25Å; L24-V160 HydrophobicContact CD1-CG1 3.95Å; L24-V160 HydrophobicContact CD1-CG2 3.78Å; R27-V160 HydrophobicContact CB-CG1 4.29Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.02Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.39Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.45Å; I158-V160 PolarHBondContact O-N 2.94Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 2.71Å; V160-A163 PolarHBondContact O-N 2.92Å; V160-F164 WeakPolarHBondContact O-CD2 3.22Å
161	E	97.9	Very high	98.2	Very high	85 Å²	85	38 Å²	38	40%	0.397	19%	0.188	S	C	.	.	H	α-helix	trans	-56	-44.9	173.4	-70.8	-63.4	161.7	0	0	112	F28 R48 A163 F164 T165	F28-E161 VanDerWaalsContact CE2-OE2 3.31Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.39Å; R48-E161 IonicContact CZ-OE1 3.21Å; R48-E161 IonicContact CZ-OE2 3.5Å; R48-E161 IonicContact NH1-OE1 2.76Å; R48-E161 PolarHBondContact NH1-OE1 3.36Å; R48-E161 IonicContact NH1-OE2 2.76Å; R48-E161 PolarHBondContact NH1-OE2 2.95Å; R48-E161 VanDerWaalsContact NH1-OE2 3.13Å; R48-E161 IonicContact NH2-OE1 2.76Å; R48-E161 PolarHBondContact NH2-OE1 3.27Å; R48-E161 IonicContact NH2-OE2 3.42Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.48Å; E161-F164 PolarHBondContact O-N 3.28Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 VanDerWaalsContact O-CG2 3.3Å; E161-T165 WeakPolarHBondContact O-CG2 3.23Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3.1Å
162	K	98.1	Very high	98.1	Very high	90 Å²	90	37.2 Å²	37.2	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-42.8	-176.2	-170	-176.6	-176.5	-60	0	112	I150 N159 V160 F164 T165 D166	I150-K162 HydrophobicContact CD1-CG 4.36Å; N159-K162 HydrophobicContact CB-CB 4.2Å; N159-K162 PolarHBondContact O-N 3.23Å; V160-K162 VanDerWaalsContact C-N 3.28Å; V160-K162 PolarHBondContact O-N 2.71Å; K162-F164 PolarHBondContact O-N 3.1Å; K162-T165 WeakPolarHBondContact CA-OG1 3.08Å; K162-T165 PolarHBondContact O-N 3.2Å; K162-T165 PolarHBondContact O-OG1 2.94Å; K162-D166 IonicContact NZ-OD2 3.13Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 VanDerWaalsContact O-CB 3.26Å; K162-D166 WeakPolarHBondContact O-CB 3.06Å; K162-D166 PolarHBondContact O-N 2.77Å
163	A	98.6	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45	-179.3	0	0	0	0	0	112.6	V121 T152 N159 V160 E161 L167	V121-A163 HydrophobicContact CG2-CB 4.46Å; T152-A163 HydrophobicContact CG2-CB 3.95Å; N159-A163 PolarHBondContact O-N 3.32Å; V160-A163 PolarHBondContact O-N 2.92Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.48Å; A163-L167 PolarHBondContact O-N 2.88Å
164	F	98.5	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-76.9	-39.4	178.8	-69.8	-89.8	0	0	0	112.4	L11 L24 I25 F28 I62 L86 V160 E161 K162 T168	L11-F164 HydrophobicContact CD1-CD1 4.39Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.1Å; I25-F164 HydrophobicContact CG1-CZ 4.23Å; F28-F164 HydrophobicContact CB-CD2 3.87Å; F28-F164 HydrophobicContact CB-CE2 3.56Å; F28-F164 HydrophobicContact CB-CZ 4.16Å; F28-F164 HydrophobicContact CD1-CB 4.46Å; F28-F164 AromaticContact CD1-CD1 3.95Å; F28-F164 HydrophobicContact CD1-CD1 3.95Å; F28-F164 AromaticContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CD2 3.83Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 3.98Å; F28-F164 HydrophobicContact CD1-CE2 3.98Å; F28-F164 AromaticContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CG 3.82Å; F28-F164 HydrophobicContact CD1-CZ 4.1Å; F28-F164 HydrophobicContact CD2-CB 3.97Å; F28-F164 AromaticContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CD2 3.39Å; F28-F164 HydrophobicContact CD2-CE2 4.03Å; F28-F164 AromaticContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CD2-CG 3.79Å; F28-F164 HydrophobicContact CE1-CB 4Å; F28-F164 AromaticContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD1 3.87Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.41Å; F28-F164 AromaticContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE1-CG 3.77Å; F28-F164 HydrophobicContact CE2-CB 3.42Å; F28-F164 VanDerWaalsContact CE2-CB 3.42Å; F28-F164 AromaticContact CE2-CD2 3.82Å; F28-F164 HydrophobicContact CE2-CD2 3.82Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CB 4.46Å; F28-F164 HydrophobicContact CG-CD1 4.38Å; F28-F164 AromaticContact CG-CD2 3.41Å; F28-F164 HydrophobicContact CG-CD2 3.41Å; F28-F164 VanDerWaalsContact CG-CD2 3.41Å; F28-F164 AromaticContact CG-CE2 3.59Å; F28-F164 HydrophobicContact CG-CE2 3.59Å; F28-F164 AromaticContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CG 3.84Å; F28-F164 HydrophobicContact CG-CZ 4.16Å; F28-F164 HydrophobicContact CZ-CB 3.44Å; F28-F164 VanDerWaalsContact CZ-CB 3.44Å; F28-F164 HydrophobicContact CZ-CD1 4.23Å; F28-F164 HydrophobicContact CZ-CD2 4.21Å; F28-F164 AromaticContact CZ-CG 3.72Å; F28-F164 HydrophobicContact CZ-CG 3.72Å; I62-F164 HydrophobicContact CD1-CD1 4.1Å; I62-F164 HydrophobicContact CD1-CE1 3.83Å; I62-F164 HydrophobicContact CG1-CE1 4.45Å; I62-F164 HydrophobicContact CG2-CE1 4.31Å; L86-F164 HydrophobicContact CD1-CD1 3.85Å; L86-F164 HydrophobicContact CD1-CD2 4.12Å; L86-F164 HydrophobicContact CD1-CE1 3.48Å; L86-F164 VanDerWaalsContact CD1-CE1 3.48Å; L86-F164 HydrophobicContact CD1-CE2 3.77Å; L86-F164 HydrophobicContact CD1-CG 4.16Å; L86-F164 HydrophobicContact CD1-CZ 3.44Å; L86-F164 VanDerWaalsContact CD1-CZ 3.44Å; L86-F164 HydrophobicContact CG-CE1 4.48Å; V160-F164 WeakPolarHBondContact O-CD2 3.22Å; E161-F164 PolarHBondContact O-N 3.28Å; K162-F164 PolarHBondContact O-N 3.1Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 PolarHBondContact O-OG1 3.42Å
165	T	97.7	Very high	98	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-37	-179	53.8	0	0	0	0	112.7	V50 E161 K162 T168 R169	V50-T165 HydrophobicContact CG1-CG2 3.69Å; E161-T165 WeakPolarHBondContact O-CB 3.22Å; E161-T165 VanDerWaalsContact O-CG2 3.3Å; E161-T165 WeakPolarHBondContact O-CG2 3.23Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3.1Å; K162-T165 WeakPolarHBondContact CA-OG1 3.08Å; K162-T165 PolarHBondContact O-N 3.2Å; K162-T165 PolarHBondContact O-OG1 2.94Å; T165-T168 PolarHBondContact O-N 3.04Å; T165-R169 WeakPolarHBondContact O-CB 3.33Å; T165-R169 PolarHBondContact O-N 2.76Å
166	D	97.9	Very high	97.8	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-47	174.2	-77.2	-6.9	0	0	0	111.6	I150 K162 T168 R169 D170	I150-D166 HydrophobicContact CD1-CB 4.19Å; I150-D166 WeakPolarHBondContact CD1-OD2 3.44Å; K162-D166 IonicContact NZ-OD2 3.13Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 VanDerWaalsContact O-CB 3.26Å; K162-D166 WeakPolarHBondContact O-CB 3.06Å; K162-D166 PolarHBondContact O-N 2.77Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.76Å; D166-R169 PolarHBondContact O-N 2.76Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.76Å
167	L	98.6	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-44.7	174.6	175.8	59.8	0	0	0	111.2	L11 L86 V117 V119 A163 R169 D170 I171	L11-L167 HydrophobicContact CD1-CD2 4.16Å; L11-L167 HydrophobicContact CD2-CD2 4.08Å; L11-L167 HydrophobicContact CD2-CG 4.46Å; L86-L167 HydrophobicContact CD2-CB 4.4Å; L86-L167 HydrophobicContact CD2-CD2 3.78Å; L86-L167 HydrophobicContact CG-CD2 4.09Å; V117-L167 HydrophobicContact CB-CD1 4.09Å; V117-L167 HydrophobicContact CG1-CD1 3.83Å; V117-L167 WeakPolarHBondContact O-CD1 3.28Å; V119-L167 HydrophobicContact CG2-CB 3.89Å; V119-L167 HydrophobicContact CG2-CD1 4.26Å; A163-L167 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.04Å; L167-D170 PolarHBondContact O-N 2.81Å; L167-I171 HydrophobicContact CD1-CD1 3.82Å; L167-I171 HydrophobicContact CD1-CG1 4.29Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CD1 3.31Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 3.02Å; L167-I171 VanDerWaalsContact O-N 3.1Å
168	T	98.4	Very high	97.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-42.3	179.2	-56	0	0	0	0	111.4	F9 I52 I58 L60 F164 T165 D166 Y172	F9-T168 HydrophobicContact CD2-CG2 4.05Å; F9-T168 HydrophobicContact CE2-CG2 4.05Å; I52-T168 HydrophobicContact CG2-CG2 3.62Å; I58-T168 HydrophobicContact CB-CG2 3.98Å; I58-T168 HydrophobicContact CG1-CG2 4.05Å; I58-T168 HydrophobicContact CG2-CG2 4.01Å; L60-T168 WeakPolarHBondContact CD1-OG1 3.29Å; L60-T168 HydrophobicContact CD2-CG2 3.95Å; F164-T168 WeakPolarHBondContact O-CB 3.23Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 PolarHBondContact O-OG1 3.42Å; T165-T168 PolarHBondContact O-N 3.04Å; D166-T168 VanDerWaalsContact C-N 3.3Å; D166-T168 PolarHBondContact O-N 2.76Å; T168-Y172 VanDerWaalsContact O-CB 3.31Å; T168-Y172 WeakPolarHBondContact O-CB 3.37Å; T168-Y172 PolarHBondContact O-N 3.41Å
169	R	97.8	Very high	97.6	Very high	117 Å²	117	49.3 Å²	49.3	44%	0.442	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-40.8	179	-175.5	175.6	-86	129.6	-3.8	111.6	I52 T165 D166 L167 Y172 E173	I52-R169 PolarHBondContact O-NH2 2.79Å; T165-R169 WeakPolarHBondContact O-CB 3.33Å; T165-R169 PolarHBondContact O-N 2.76Å; D166-R169 PolarHBondContact O-N 2.76Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.04Å; R169-Y172 PolarHBondContact O-N 3.14Å; R169-E173 PolarHBondContact O-N 3.16Å
170	D	97.8	Very high	97.5	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-46.2	177.7	-67.5	-21.2	0	0	0	111.5	V117 K148 D166 L167 Y172 E173 L174	V117-D170 HydrophobicContact CG1-CB 4.1Å; K148-D170 VanDerWaalsContact CE-OD2 3.22Å; K148-D170 WeakPolarHBondContact CE-OD2 3.17Å; K148-D170 IonicContact NZ-OD1 3.54Å; K148-D170 PolarHBondContact NZ-OD1 2.9Å; K148-D170 IonicContact NZ-OD2 3.69Å; K148-D170 PolarHBondContact NZ-OD2 3.27Å; D166-D170 VanDerWaalsContact O-CG 3.29Å; D166-D170 PolarHBondContact O-N 2.76Å; L167-D170 PolarHBondContact O-N 2.81Å; D170-Y172 PolarHBondContact O-N 2.85Å; D170-E173 PolarHBondContact O-N 2.76Å; D170-L174 WeakPolarHBondContact O-CG 3.41Å; D170-L174 PolarHBondContact O-N 2.81Å
171	I	98.2	Very high	97.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-44	176.1	-62.6	156.9	0	0	0	110.8	F9 L11 V83 V117 L167 E173 L174 V175	F9-I171 HydrophobicContact CD1-CG2 4.18Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.3Å; F9-I171 HydrophobicContact CD2-CG2 3.69Å; F9-I171 HydrophobicContact CE1-CG2 4.04Å; F9-I171 HydrophobicContact CE2-CB 3.79Å; F9-I171 HydrophobicContact CE2-CG2 3.53Å; F9-I171 HydrophobicContact CG-CG2 4.04Å; F9-I171 HydrophobicContact CZ-CB 4.38Å; F9-I171 HydrophobicContact CZ-CG2 3.73Å; L11-I171 HydrophobicContact CD2-CD1 3.7Å; V83-I171 HydrophobicContact CG1-CD1 4.23Å; V83-I171 HydrophobicContact CG1-CG2 4.07Å; V83-I171 HydrophobicContact CG2-CG2 3.69Å; V117-I171 HydrophobicContact CB-CG1 3.91Å; V117-I171 HydrophobicContact CG1-CG1 4.34Å; V117-I171 HydrophobicContact CG2-CG1 3.91Å; L167-I171 HydrophobicContact CD1-CD1 3.82Å; L167-I171 HydrophobicContact CD1-CG1 4.29Å; L167-I171 HydrophobicContact CG-CD1 3.85Å; L167-I171 WeakPolarHBondContact O-CD1 3.31Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.23Å; L167-I171 PolarHBondContact O-N 3.02Å; L167-I171 VanDerWaalsContact O-N 3.1Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 3.29Å; I171-L174 PolarHBondContact O-N 3.44Å; I171-V175 HydrophobicContact CG2-CG2 4.41Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 2.91Å
172	Y	97.4	Very high	97.2	Very high	11 Å²	11	49 Å²	49	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-39.4	179.8	170.9	-102.2	0	0	0	112.6	L6 Y7 I52 E53 K56 I58 T168 R169 D170 V175 K176	L6-Y172 HydrophobicContact CD2-CE2 3.92Å; Y7-Y172 HydrophobicContact CD2-CD2 4.19Å; Y7-Y172 HydrophobicContact CD2-CE2 4.39Å; Y7-Y172 HydrophobicContact CE2-CD2 4.24Å; Y7-Y172 HydrophobicContact CE2-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CD1 3.37Å; I52-Y172 HydrophobicContact CD1-CD2 3.36Å; I52-Y172 HydrophobicContact CD1-CE1 3.65Å; I52-Y172 HydrophobicContact CD1-CE2 3.66Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å; E53-Y172 WeakPolarHBondContact OE1-CE1 3.32Å; K56-Y172 WeakPolarHBondContact CD-OH 3.4Å; K56-Y172 PolarHBondContact NZ-OH 3.24Å; I58-Y172 HydrophobicContact CD1-CD2 4.19Å; T168-Y172 VanDerWaalsContact O-CB 3.31Å; T168-Y172 WeakPolarHBondContact O-CB 3.37Å; T168-Y172 PolarHBondContact O-N 3.41Å; R169-Y172 PolarHBondContact O-N 3.14Å; D170-Y172 PolarHBondContact O-N 2.85Å; Y172-V175 PolarHBondContact O-N 2.69Å; Y172-K176 HydrophobicContact CE1-CD 4.24Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.23Å; Y172-K176 PolarHBondContact O-N 2.82Å
173	E	97.3	Very high	96.9	Very high	52 Å²	52	48.4 Å²	48.4	24%	0.243	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-37.9	175.7	-77	-63.1	137.7	0	0	112.1	R169 D170 I171 K176 R177	R169-E173 PolarHBondContact O-N 3.16Å; D170-E173 PolarHBondContact O-N 2.76Å; I171-E173 VanDerWaalsContact C-N 3.33Å; I171-E173 PolarHBondContact O-N 3.29Å; E173-K176 PolarHBondContact O-N 3.22Å; E173-K176 IonicContact OE1-NZ 3.56Å; E173-K176 PolarHBondContact OE1-NZ 3.19Å; E173-K176 VanDerWaalsContact OE1-NZ 3.09Å; E173-K176 IonicContact OE2-NZ 3.76Å; E173-R177 WeakPolarHBondContact O-CB 3.24Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.46Å; E173-R177 PolarHBondContact O-N 3.11Å
174	L	97.8	Very high	96.4	Very high	43 Å²	43	58 Å²	58	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-40.2	172.8	-65.3	173.1	0	0	0	112	V117 D170 I171 R177 G178 E179 I180	V117-L174 HydrophobicContact CG2-CD1 3.48Å; V117-L174 VanDerWaalsContact CG2-CD1 3.48Å; D170-L174 WeakPolarHBondContact O-CG 3.41Å; D170-L174 PolarHBondContact O-N 2.81Å; I171-L174 PolarHBondContact O-N 3.44Å; L174-R177 PolarHBondContact O-N 3.11Å; L174-G178 PolarHBondContact O-N 3.04Å; L174-E179 HydrophobicContact CB-CB 4.34Å; L174-E179 HydrophobicContact CD2-CB 4.12Å; L174-E179 HydrophobicContact CD2-CG 4.48Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.27Å; L174-E179 PolarHBondContact O-N 3.38Å; L174-I180 HydrophobicContact CB-CB 4.44Å; L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 4.04Å; L174-I180 HydrophobicContact CD1-CD1 3.73Å; L174-I180 HydrophobicContact CD1-CG1 4.47Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; L174-I180 PolarHBondContact O-N 3Å
175	V	96.6	Very high	95.9	Very high	16 Å²	16	61.6 Å²	61.6	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-44.9	175.3	172.2	0	0	0	0	111.1	Y7 F9 I171 Y172 R177 G178 I180 V189	Y7-V175 HydrophobicContact CD2-CG1 4.31Å; Y7-V175 HydrophobicContact CE1-CG1 4.2Å; Y7-V175 HydrophobicContact CE2-CG1 3.77Å; F9-V175 HydrophobicContact CE1-CG2 4.22Å; F9-V175 HydrophobicContact CZ-CG2 4.34Å; I171-V175 HydrophobicContact CG2-CG2 4.41Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 2.91Å; Y172-V175 PolarHBondContact O-N 2.69Å; V175-R177 VanDerWaalsContact C-N 3.29Å; V175-R177 PolarHBondContact O-N 3.02Å; V175-G178 PolarHBondContact O-N 3.16Å; V175-G178 VanDerWaalsContact O-N 3.07Å; V175-I180 WeakPolarHBondContact CA-O 3.4Å; V175-I180 HydrophobicContact CG2-CB 4.07Å; V175-I180 HydrophobicContact CG2-CG2 4.05Å; V175-V189 HydrophobicContact CG2-CG1 4.25Å; V175-V189 HydrophobicContact CG2-CG2 4.13Å
176	K	94.9	Very high	95.6	Very high	119 Å²	119	60.7 Å²	60.7	52%	0.517	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-33.7	178.8	-179.9	-178.2	168.3	-166.9	0	112.8	Y172 E173 G178	Y172-K176 HydrophobicContact CE1-CD 4.24Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.23Å; Y172-K176 PolarHBondContact O-N 2.82Å; E173-K176 PolarHBondContact O-N 3.22Å; E173-K176 IonicContact OE1-NZ 3.56Å; E173-K176 PolarHBondContact OE1-NZ 3.19Å; E173-K176 VanDerWaalsContact OE1-NZ 3.09Å; E173-K176 IonicContact OE2-NZ 3.76Å; K176-G178 VanDerWaalsContact C-N 3.3Å
177	R	97	Very high	95.4	Very high	175 Å²	175	62.3 Å²	62.3	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.2	175.5	-68.5	172.5	-173.7	-158.7	0	113.6	E173 L174 V175 E179	E173-R177 WeakPolarHBondContact O-CB 3.24Å; E173-R177 VanDerWaalsContact O-CG 3.25Å; E173-R177 WeakPolarHBondContact O-CG 3.46Å; E173-R177 PolarHBondContact O-N 3.11Å; L174-R177 PolarHBondContact O-N 3.11Å; V175-R177 VanDerWaalsContact C-N 3.29Å; V175-R177 PolarHBondContact O-N 3.02Å; R177-E179 VanDerWaalsContact C-N 3.27Å; R177-E179 HydrophobicContact CB-CG 4.09Å; R177-E179 WeakPolarHBondContact CD-OE1 3.17Å; R177-E179 PolarHBondContact O-N 3.36Å
178	G	95.7	Very high	95.2	Very high	44 Å²	44	62.3 Å²	62.3	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	11	-176	0	0	0	0	0	114.2	L174 V175 K176 I180 T181	L174-G178 PolarHBondContact O-N 3.04Å; V175-G178 PolarHBondContact O-N 3.16Å; V175-G178 VanDerWaalsContact O-N 3.07Å; K176-G178 VanDerWaalsContact C-N 3.3Å; G178-I180 VanDerWaalsContact C-N 3.33Å; G178-T181 WeakPolarHBondContact O-CG2 3.46Å
179	E	96.6	Very high	95.1	Very high	107 Å²	107	62.3 Å²	62.3	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-73.2	-29.8	175.5	-64.3	179.2	-126.4	0	0	111.4	Y114 L174 R177	Y114-E179 WeakPolarHBondContact CE1-O 3.21Å; L174-E179 HydrophobicContact CB-CB 4.34Å; L174-E179 HydrophobicContact CD2-CB 4.12Å; L174-E179 HydrophobicContact CD2-CG 4.48Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.27Å; L174-E179 PolarHBondContact O-N 3.38Å; R177-E179 VanDerWaalsContact C-N 3.27Å; R177-E179 HydrophobicContact CB-CG 4.09Å; R177-E179 WeakPolarHBondContact CD-OE1 3.17Å; R177-E179 PolarHBondContact O-N 3.36Å
180	I	96.9	Very high	95	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	31%	0.313	C	S	.	.	S	Bend	trans	-120	114.9	167.8	-64.1	175.5	0	0	0	108	V83 Y114 V117 L174 V175 G178 W186 V189	V83-I180 HydrophobicContact CG2-CD1 3.82Å; V83-I180 HydrophobicContact CG2-CG2 4.19Å; Y114-I180 HydrophobicContact CD1-CG1 4.26Å; Y114-I180 HydrophobicContact CD2-CG2 4.04Å; Y114-I180 HydrophobicContact CE2-CG2 4.13Å; Y114-I180 HydrophobicContact CG-CG1 4.2Å; Y114-I180 HydrophobicContact CG-CG2 4.42Å; V117-I180 HydrophobicContact CG2-CD1 4.48Å; L174-I180 HydrophobicContact CB-CB 4.44Å; L174-I180 HydrophobicContact CB-CD1 3.88Å; L174-I180 HydrophobicContact CB-CG1 4.04Å; L174-I180 HydrophobicContact CD1-CD1 3.73Å; L174-I180 HydrophobicContact CD1-CG1 4.47Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; L174-I180 PolarHBondContact O-N 3Å; V175-I180 WeakPolarHBondContact CA-O 3.4Å; V175-I180 HydrophobicContact CG2-CB 4.07Å; V175-I180 HydrophobicContact CG2-CG2 4.05Å; G178-I180 VanDerWaalsContact C-N 3.33Å; I180-W186 HydrophobicContact CG2-CH2 3.76Å; I180-W186 HydrophobicContact CG2-CZ3 3.88Å; I180-V189 HydrophobicContact CG2-CG2 3.84Å
181	T	95.2	Very high	94.7	Very high	66 Å²	66	60.7 Å²	60.7	41%	0.405	32%	0.319	S	S	.	.			trans	-108.4	154	176	67.4	0	0	0	0	111.5	Y114 G178 Q183	Y114-T181 WeakPolarHBondContact CE2-O 3.46Å; Y114-T181 PolarHBondContact OH-N 2.66Å; Y114-T181 VanDerWaalsContact OH-N 3.12Å; Y114-T181 PolarHBondContact OH-O 2.85Å; Y114-T181 PolarHBondContact OH-OG1 2.96Å; G178-T181 WeakPolarHBondContact O-CG2 3.46Å; T181-Q183 PolarHBondContact O-N 3.17Å
182	I	94	Very high	94.1	Very high	81 Å²	81	61.4 Å²	61.4	42%	0.415	33%	0.326	S	S	.	.			trans	-65.9	129.5	170.8	-62.9	167.3	0	0	0	108	Y7 V189	Y7-I182 HydrophobicContact CD1-CD1 4.13Å; Y7-I182 HydrophobicContact CE1-CD1 3.95Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å
183	Q	91.1	Very high	93	Very high	77 Å²	77	66.5 Å²	66.5	36%	0.36	35%	0.349	S	S	.	.			trans	-122	145.8	177	-60.3	-168.6	18.2	0	0	110.4	Y114 T181 G185 W186	Y114-Q183 HydrophobicContact CE2-CG 4.31Å; Y114-Q183 PolarHBondContact OH-NE2 2.96Å; T181-Q183 PolarHBondContact O-N 3.17Å; Q183-G185 PolarHBondContact O-N 3.05Å; Q183-W186 HydrophobicContact CB-CB 4.13Å; Q183-W186 PolarHBondContact O-N 2.96Å
184	E	89	Confident	90.9	Very high	201 Å²	201	70.1 Å²	70.1	94%	0.939	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	135.1	172.5	-168.8	176.2	-178.6	0	0	110.3	W186	E184-W186 PolarHBondContact O-N 2.96Å
185	G	87.7	Confident	88.3	Confident	76 Å²	76	72.8 Å²	72.8	78%	0.784	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-8.3	-179.1	0	0	0	0	0	116	Q183	Q183-G185 PolarHBondContact O-N 3.05Å
186	W	92.2	Very high	85.5	Confident	14 Å²	14	79.1 Å²	79.1	5%	0.053	43%	0.427	C	S	.	.			trans	-98.8	133	173.1	-177.3	60.3	0	0	0	111.5	V83 Q112 P113 Y114 I180 Q183 E184 V189	V83-W186 HydrophobicContact CB-CH2 3.97Å; V83-W186 HydrophobicContact CB-CZ2 4.07Å; V83-W186 HydrophobicContact CG2-CH2 3.83Å; V83-W186 HydrophobicContact CG2-CZ2 4.31Å; Q112-W186 PolarHBondContact O-NE1 3.46Å; P113-W186 VanDerWaalsContact CD-NE1 3.32Å; P113-W186 HydrophobicContact CG-CD2 4.35Å; P113-W186 HydrophobicContact CG-CG 4.35Å; Y114-W186 HydrophobicContact CD2-CE3 4.2Å; Y114-W186 AromaticContact CD2-CH2 3.46Å; Y114-W186 HydrophobicContact CD2-CH2 3.46Å; Y114-W186 VanDerWaalsContact CD2-CH2 3.46Å; Y114-W186 AromaticContact CD2-CZ2 3.87Å; Y114-W186 HydrophobicContact CD2-CZ2 3.87Å; Y114-W186 AromaticContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CD2-CZ3 3.65Å; Y114-W186 HydrophobicContact CE2-CE3 4.14Å; Y114-W186 HydrophobicContact CE2-CH2 4.06Å; Y114-W186 AromaticContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CE2-CZ3 3.73Å; Y114-W186 HydrophobicContact CG-CH2 4.45Å; I180-W186 HydrophobicContact CG2-CH2 3.76Å; I180-W186 HydrophobicContact CG2-CZ3 3.88Å; Q183-W186 HydrophobicContact CB-CB 4.13Å; Q183-W186 PolarHBondContact O-N 2.96Å; E184-W186 PolarHBondContact O-N 2.96Å; W186-V189 HydrophobicContact CH2-CB 4.5Å; W186-V189 HydrophobicContact CH2-CG2 3.94Å; W186-V189 HydrophobicContact CZ3-CB 3.95Å; W186-V189 HydrophobicContact CZ3-CG2 3.86Å
187	E	92.7	Very high	82.8	Confident	60 Å²	60	79 Å²	79	28%	0.28	44%	0.436	S	S	.	.			trans	-103.1	4.8	-175.3	-47	-162.7	116.9	0	0	114.9	R10 N81 K190	R10-E187 WeakPolarHBondContact CB-O 3.37Å; R10-E187 IonicContact CZ-OE2 3.09Å; R10-E187 IonicContact NH1-OE2 3.97Å; R10-E187 PolarHBondContact NH1-OE2 2.72Å; N81-E187 HydrophobicContact CB-CB 3.97Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å
188	G	94.8	Very high	79.9	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	44%	0.44	C	S	.	.	S	Bend	trans	-62.7	-43.6	-179.2	0	0	0	0	0	113.1	F9 R10 N81 V83	F9-G188 WeakPolarHBondContact CA-O 3.41Å; R10-G188 PolarHBondContact N-O 2.8Å; N81-G188 WeakPolarHBondContact O-CA 3.29Å; N81-G188 PolarHBondContact O-N 3.12Å; V83-G188 WeakPolarHBondContact CG1-O 3.26Å
189	V	96.8	Very high	77	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.2	174.3	-175.5	0	0	0	0	109.7	Y7 Q8 F9 V83 V175 I180 I182 W186	Y7-V189 HydrophobicContact CD1-CG1 4.16Å; Y7-V189 HydrophobicContact CG-CG1 4.43Å; Q8-V189 WeakPolarHBondContact O-CA 3.16Å; F9-V189 HydrophobicContact CD1-CB 4.39Å; F9-V189 HydrophobicContact CD1-CG1 3.99Å; F9-V189 HydrophobicContact CD1-CG2 3.93Å; F9-V189 HydrophobicContact CE1-CG1 3.77Å; F9-V189 HydrophobicContact CE1-CG2 4.09Å; V83-V189 HydrophobicContact CB-CG2 4.13Å; V83-V189 HydrophobicContact CG1-CG2 4.18Å; V83-V189 HydrophobicContact CG2-CG2 3.77Å; V175-V189 HydrophobicContact CG2-CG1 4.25Å; V175-V189 HydrophobicContact CG2-CG2 4.13Å; I180-V189 HydrophobicContact CG2-CG2 3.84Å; I182-V189 HydrophobicContact CG1-CB 4.37Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å; W186-V189 HydrophobicContact CH2-CB 4.5Å; W186-V189 HydrophobicContact CH2-CG2 3.94Å; W186-V189 HydrophobicContact CZ3-CB 3.95Å; W186-V189 HydrophobicContact CZ3-CG2 3.86Å
190	K	95	Very high	74.2	Confident	75 Å²	75	81.3 Å²	81.3	33%	0.326	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.9	170.7	-59.4	-172.7	-178.2	-178	0	110.6	Y7 Q8 E187	Y7-K190 CarbonylContact C-O 3.46Å; Y7-K190 VanDerWaalsContact CA-O 3.22Å; Y7-K190 WeakPolarHBondContact CA-O 3.14Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 2.76Å; Q8-K190 PolarHBondContact O-N 3.3Å; E187-K190 IonicContact OE1-NZ 2.72Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å
191	S	92	Very high	71.2	Confident	52 Å²	52	86.5 Å²	86.5	36%	0.364	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	142	169.5	-177.1	0	0	0	0	110	F193	S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 2.76Å; S191-F193 VanDerWaalsContact OG-N 3.14Å
192	G	85.2	Confident	68.4	Low	14 Å²	14	91.4 Å²	91.4	14%	0.144	52%	0.515	C	S	.	.	S	Bend	trans	-79.3	-15.1	168.8	0	0	0	0	0	113.5	A3 W5 L6 V194	A3-G192 WeakPolarHBondContact CB-O 3.22Å; W5-G192 WeakPolarHBondContact O-CA 3.27Å; L6-G192 PolarHBondContact O-N 2.8Å; G192-V194 PolarHBondContact O-N 2.75Å
193	F	74.9	Confident	65.6	Low	119 Å²	119	96 Å²	96	52%	0.522	54%	0.535	S	S	.	.			trans	-79.3	108.6	169.9	-64.1	-83	0	0	0	109	A3 L6 S191 P195	A3-F193 HydrophobicContact CB-CD1 3.85Å; A3-F193 HydrophobicContact CB-CD2 4.45Å; A3-F193 HydrophobicContact CB-CE1 3.89Å; A3-F193 HydrophobicContact CB-CE2 4.48Å; A3-F193 HydrophobicContact CB-CG 4.14Å; A3-F193 HydrophobicContact CB-CZ 4.21Å; L6-F193 HydrophobicContact CD1-CE2 3.84Å; S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 2.76Å; S191-F193 VanDerWaalsContact OG-N 3.14Å; F193-P195 WeakPolarHBondContact O-CD 3.49Å
194	V	53.5	Low	63	Low	127 Å²	127	98.8 Å²	98.8	77%	0.77	56%	0.557	S	S	*	*			trans	-74.8	115.5	158	-173	0	0	0	0	105	G192 N196	G192-V194 PolarHBondContact O-N 2.75Å; V194-N196 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact O-N 3.08Å
195	P	42.6	Very low	60.6	Low	99 Å²	99	95.2 Å²	95.2	64%	0.643	55%	0.548	S	S	*	.			trans	-55.7	124	170.9	-16.7	29.1	0	0	0	106.1	F193 V197	F193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-V197 PolarHBondContact O-N 2.77Å
196	N	38.7	Very low	58.1	Low	149 Å²	149	100.8 Å²	100.8	80%	0.797	55%	0.551	S	S	*	*			trans	-56.6	100.2	160.2	-80.6	-22.3	0	0	0	104.6	V194 V198	V194-N196 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact O-N 3.08Å; N196-V198 HydrophobicContact CB-CG2 4.5Å; N196-V198 PolarHBondContact O-N 2.91Å
197	V	36.9	Very low	55.6	Low	118 Å²	118	104.2 Å²	104.2	72%	0.715	58%	0.577	S	S	*	*			trans	-64	90.4	161.7	179.8	0	0	0	0	103	P195 H199	P195-V197 PolarHBondContact O-N 2.77Å; V197-H199 VanDerWaalsContact C-N 3.26Å; V197-H199 PolarHBondContact O-N 2.64Å
198	V	36.5	Very low	52.9	Low	122 Å²	122	110.2 Å²	110.2	74%	0.739	61%	0.605	S	S	*	*			trans	-61.1	103.7	166.2	-175.3	0	0	0	0	102.7	N196 S200	N196-V198 HydrophobicContact CB-CG2 4.5Å; N196-V198 PolarHBondContact O-N 2.91Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.17Å
199	H	35.8	Very low	50.3	Low	164 Å²	164	121 Å²	121	76%	0.759	65%	0.646	S	S	*	*			trans	-52.2	102.8	165.9	-91.1	-72.6	0	0	0	105.8	V197 S201	V197-H199 VanDerWaalsContact C-N 3.26Å; V197-H199 PolarHBondContact O-N 2.64Å; H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 3.44Å
200	S	36.4	Very low	47.7	Very low	88 Å²	88	131.9 Å²	131.9	62%	0.615	69%	0.687	S	S	*	*			trans	-62.4	104.5	163	45.6	0	0	0	0	104.9	V198 E202	V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.17Å; S200-E202 PolarHBondContact O-N 2.97Å
201	S	34.3	Very low	45	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	71%	0.707	S	S	*	*			trans	-61.9	75.2	165.1	-44.1	0	0	0	0	107.3	H199 E203	H199-S201 VanDerWaalsContact C-N 3.3Å; H199-S201 PolarHBondContact O-N 3.44Å; S201-E203 PolarHBondContact O-N 3.22Å
202	E	37.2	Very low	42.6	Very low	169 Å²	169	139.1 Å²	139.1	79%	0.79	73%	0.732	S	S	*	*			trans	-70.7	113.2	169.8	-80.2	-176.5	164.7	0	0	107.3	S200 V204	S200-E202 PolarHBondContact O-N 2.97Å; E202-V204 PolarHBondContact O-N 2.56Å
203	E	35.1	Very low	41.1	Very low	177 Å²	177	147 Å²	147	83%	0.827	78%	0.783	S	S	*	*			trans	-49.2	117.4	-179	-66.6	170.5	139	0	0	110.6	S201 V205	S201-E203 PolarHBondContact O-N 3.22Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.33Å
204	V	36.1	Very low	39.4	Very low	136 Å²	136	148.5 Å²	148.5	82%	0.824	80%	0.796	S	S	*	*			trans	-68.8	89.9	167.7	-178.8	0	0	0	0	107.5	E202 K206	E202-V204 PolarHBondContact O-N 2.56Å; V204-K206 PolarHBondContact O-N 2.92Å
205	V	38	Very low	38.6	Very low	125 Å²	125	149.6 Å²	149.6	76%	0.758	80%	0.797	S	S	*	*			trans	-63.5	104.4	166.8	177.8	0	0	0	0	107.4	E203 S207	E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.33Å; V205-S207 PolarHBondContact O-N 3.07Å
206	K	35.8	Very low	38.4	Very low	193 Å²	193	152.4 Å²	152.4	84%	0.839	81%	0.806	S	S	*	*			trans	-59.6	97.3	170.9	-78.1	178.7	174	177.2	0	109.3	V204 E208	V204-K206 PolarHBondContact O-N 2.92Å; K206-E208 PolarHBondContact O-N 3.16Å
207	S	38.8	Very low	38.4	Very low	87 Å²	87	152.6 Å²	152.6	61%	0.608	81%	0.807	S	S	*	*			trans	-83	108.7	164.4	82.7	0	0	0	0	108.9	V205 R209	V205-S207 PolarHBondContact O-N 3.07Å; S207-R209 PolarHBondContact O-N 2.87Å
208	E	37.6	Very low	38.5	Very low	185 Å²	185	154.8 Å²	154.8	86%	0.864	81%	0.812	S	S	*	*			trans	-58.6	103.6	168.9	-67.4	179.6	154.4	0	0	110.1	K206	K206-E208 PolarHBondContact O-N 3.16Å
209	R	40	Very low	38.6	Very low	227 Å²	227	156.9 Å²	156.9	86%	0.857	82%	0.817	S	S	*	*			trans	-96.4	105.4	164	-71.5	-168.7	-172.9	-166.2	2.8	108.5	S207 C211	S207-R209 PolarHBondContact O-N 2.87Å; R209-C211 PolarHBondContact O-N 3.11Å
210	R	40.9	Very low	38.8	Very low	228 Å²	228	156.4 Å²	156.4	86%	0.86	82%	0.821	S	S	*	*			trans	-55.6	122.8	168.1	-77.8	176.5	174.6	170.3	-2.1	109.4	L212	R210-L212 PolarHBondContact O-N 3.44Å
211	C	39.1	Very low	39	Very low	110 Å²	110	161.7 Å²	161.7	74%	0.743	84%	0.837	S	S	*	*			trans	-69.7	122.3	168.8	-158.8	0	0	0	0	108.4	R209 C213	R209-C211 PolarHBondContact O-N 3.11Å; C211-C213 VanDerWaalsContact SG-SG 3.64Å
212	L	40.5	Very low	39.4	Very low	170 Å²	170	165.6 Å²	165.6	89%	0.89	84%	0.84	S	S	*	*			trans	-116.4	78.8	168.9	-85.8	158.8	0	0	0	106.7	R210	R210-L212 PolarHBondContact O-N 3.44Å
213	C	53.9	Low	39.6	Very low	180 Å²	180	165.3 Å²	165.3	100%	1.216	84%	0.844	S	S	*	*			trans	-164.1	0	159	42.7	0	0	0	0	109	C211	C211-C213 VanDerWaalsContact SG-SG 3.64Å

Retrieved 213 of 213 residues in 66.1 ms (Link to these results)

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