A0A2K6Q9F0_RHIRO Loading...

GTPase RhebL1

Binds GTP and exhibits intrinsic GTPase activity. May activate NF-kappa-B-mediated gene transcription. Promotes signal transduction through MTOR, activates RPS6KB1, and is a downstream target of the small GTPase-activating proteins TSC1 and TSC2.

AlphaFold DB , UniProt , Accession A0A2K6Q9F0, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene RHEBL1, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	82.2	Confident	234 Å²	234	74 Å²	74	100%	1.153	37%	0.37	S	S	*	.				0	132.5	0	-72.5	170.6	155.8	0	0	107.5	L3	M1-L3 PolarHBondContact O-N 3.09Å
2	P	52.4	Low	83.6	Confident	106 Å²	106	67.8 Å²	67.8	69%	0.688	34%	0.339	S	S	*	.			trans	-58.9	137.1	172.3	25.1	-30.2	0	0	0	108.9	V4	P2-V4 PolarHBondContact O-N 3.37Å
3	L	63.9	Low	84.7	Confident	152 Å²	152	62.6 Å²	62.6	80%	0.796	31%	0.313	S	S	*	.			trans	-70.6	112.9	-179.2	-154	102.6	0	0	0	108	M1 R5	M1-L3 PolarHBondContact O-N 3.09Å; L3-R5 PolarHBondContact O-N 3.45Å
4	V	71.8	Confident	85.7	Confident	77 Å²	77	60.1 Å²	60.1	47%	0.467	30%	0.298	S	S	.	.			trans	-61.1	126.8	175	170.1	0	0	0	0	109.2	P2 H55	P2-V4 PolarHBondContact O-N 3.37Å; V4-H55 HydrophobicContact CG1-CB 4.14Å; V4-H55 WeakPolarHBondContact CG1-CD2 3.2Å; V4-H55 WeakPolarHBondContact CG1-NE2 3.34Å
5	R	89.8	Confident	86.4	Confident	64 Å²	64	65.5 Å²	65.5	24%	0.242	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	101.5	-178.8	-63.2	-171.8	-163	-165.4	15.8	110.6	L3 D52 E53 F54 H55	L3-R5 PolarHBondContact O-N 3.45Å; R5-D52 IonicContact CZ-OD1 3.07Å; R5-D52 IonicContact NE-OD1 2.73Å; R5-D52 IonicContact NH2-OD1 2.95Å; R5-D52 PolarHBondContact NH2-OD1 3.05Å; R5-D52 IonicContact NH2-OD2 2.76Å; R5-E53 PolarHBondContact N-O 3.18Å; R5-F54 HydrophobicContact CB-CD1 3.77Å; R5-F54 HydrophobicContact CB-CE1 4.05Å; R5-F54 CarbonylContact O-C 3.41Å; R5-F54 WeakPolarHBondContact O-CA 3.36Å; R5-H55 PolarHBondContact O-N 3.5Å
6	Y	94.5	Very high	87	Confident	113 Å²	113	64.9 Å²	64.9	44%	0.443	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128	173.4	178.3	-93	0	0	0	111.2	K8 H55 H57	Y6-K8 HydrophobicContact CE1-CB 4.26Å; Y6-H55 WeakPolarHBondContact CA-O 3.33Å; Y6-H55 HydrophobicContact CD2-CB 4.46Å; Y6-H57 HydrophobicContact CE1-CB 4.49Å; Y6-H57 HydrophobicContact CE2-CB 3.63Å; Y6-H57 AromaticContact CZ-CG 3.86Å; Y6-H57 WeakPolarHBondContact OH-CB 3.37Å; Y6-H57 PolarHBondContact OH-CD2 3.01Å; Y6-H57 PolarHBondContact OH-ND1 3.48Å
7	R	96.3	Very high	87.7	Confident	30 Å²	30	61.2 Å²	61.2	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.3	177.9	-65.8	-59.9	179.6	-88.1	0.4	111.4	F54 H55 L56 H57 H79 I167 E171	R7-F54 HydrophobicContact CG-CD1 3.98Å; R7-H55 PolarHBondContact N-O 3.08Å; R7-L56 HydrophobicContact CB-CD1 4.22Å; R7-L56 WeakPolarHBondContact O-CA 3.38Å; R7-H57 PolarHBondContact O-N 3.06Å; R7-H79 VanDerWaalsContact CD-CD2 3.49Å; R7-H79 WeakPolarHBondContact CD-CD2 3.47Å; R7-I167 HydrophobicContact CG-CG2 4.2Å; R7-E171 IonicContact CZ-OE1 3.51Å; R7-E171 IonicContact CZ-OE2 2.71Å; R7-E171 IonicContact NE-OE1 3.62Å; R7-E171 PolarHBondContact NE-OE1 3.02Å; R7-E171 IonicContact NE-OE2 3.52Å; R7-E171 IonicContact NH2-OE1 3.41Å; R7-E171 PolarHBondContact NH2-OE1 2.89Å; R7-E171 IonicContact NH2-OE2 3.66Å; R7-E171 PolarHBondContact NH2-OE2 3.17Å
8	K	97.4	Very high	88.2	Confident	38 Å²	38	58.4 Å²	58.4	17%	0.165	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.3	172.2	-178.8	179.5	-176.1	-171.3	0	110.3	Y6 H57 V59 S73 V78 H79 G80	Y6-K8 HydrophobicContact CE1-CB 4.26Å; K8-H57 CarbonylContact C-O 3.59Å; K8-H57 WeakPolarHBondContact CA-O 3.46Å; K8-V59 HydrophobicContact CG-CG2 4.31Å; K8-S73 PolarHBondContact NZ-O 2.84Å; K8-V78 HydrophobicContact CD-CG2 4.21Å; K8-H79 PolarHBondContact N-ND1 3.33Å; K8-H79 WeakPolarHBondContact O-CB 3.45Å; K8-H79 PolarHBondContact O-N 3.44Å; K8-G80 PolarHBondContact O-N 2.88Å
9	V	98.3	Very high	88.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.4	174	165.2	0	0	0	0	109.2	L56 H57 L58 V59 G80 V82 V163 I167	V9-L56 HydrophobicContact CB-CD1 4.17Å; V9-L56 HydrophobicContact CG2-CD1 3.71Å; V9-H57 PolarHBondContact N-O 3.24Å; V9-L58 HydrophobicContact CB-CD2 3.84Å; V9-L58 HydrophobicContact CG1-CD2 3.82Å; V9-L58 WeakPolarHBondContact O-CA 3.31Å; V9-V59 PolarHBondContact O-N 3.45Å; V9-G80 VanDerWaalsContact CA-O 3.26Å; V9-G80 WeakPolarHBondContact CA-O 3.37Å; V9-V82 HydrophobicContact CG1-CG2 3.91Å; V9-V163 HydrophobicContact CG1-CG1 4.25Å; V9-V163 HydrophobicContact CG1-CG2 4.49Å; V9-V163 HydrophobicContact CG2-CG1 4.12Å; V9-V163 HydrophobicContact CG2-CG2 4.26Å; V9-I167 HydrophobicContact CG2-CD1 3.68Å
10	V	98.6	Very high	89.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134	178.7	-176.7	0	0	0	0	109.3	L12 V59 T61 F74 V78 G80 Y81 V82	V10-L12 HydrophobicContact CG1-CD1 4.31Å; V10-L12 HydrophobicContact CG1-CD2 4.42Å; V10-L12 HydrophobicContact CG1-CG 3.97Å; V10-V59 HydrophobicContact CG1-CB 4.45Å; V10-V59 HydrophobicContact CG2-CB 4.14Å; V10-V59 HydrophobicContact CG2-CG2 4.38Å; V10-T61 HydrophobicContact CG1-CG2 3.73Å; V10-F74 HydrophobicContact CG1-CB 4.45Å; V10-F74 HydrophobicContact CG1-CD1 4.28Å; V10-F74 HydrophobicContact CG1-CG 4.27Å; V10-V78 HydrophobicContact CB-CG1 4.31Å; V10-V78 HydrophobicContact CG2-CB 4.31Å; V10-V78 HydrophobicContact CG2-CG1 3.77Å; V10-V78 HydrophobicContact CG2-CG2 3.51Å; V10-G80 PolarHBondContact N-O 2.83Å; V10-G80 VanDerWaalsContact N-O 3.16Å; V10-Y81 HydrophobicContact CB-CD1 3.97Å; V10-Y81 HydrophobicContact CB-CE1 4Å; V10-Y81 HydrophobicContact CG2-CE1 4.42Å; V10-Y81 WeakPolarHBondContact O-CA 3.48Å; V10-V82 PolarHBondContact O-N 2.96Å
11	I	98.7	Very high	89.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.4	176.3	-49	173	0	0	0	108.1	K19 A23 V59 T61 V82 V84 F160	I11-K19 HydrophobicContact CG2-CB 3.81Å; I11-K19 HydrophobicContact CG2-CD 4.15Å; I11-K19 HydrophobicContact CG2-CG 3.91Å; I11-A23 HydrophobicContact CD1-CB 3.72Å; I11-V59 PolarHBondContact N-O 3.44Å; I11-T61 WeakPolarHBondContact O-CG2 3.36Å; I11-T61 PolarHBondContact O-OG1 3.38Å; I11-T61 VanDerWaalsContact O-OG1 3.09Å; I11-V82 CarbonylContact C-O 3.54Å; I11-V82 WeakPolarHBondContact CA-O 3.05Å; I11-V82 HydrophobicContact CG1-CB 4.34Å; I11-V82 HydrophobicContact CG2-CB 4.38Å; I11-V82 HydrophobicContact CG2-CG1 4.42Å; I11-V84 HydrophobicContact CG2-CG2 3.68Å; I11-F160 HydrophobicContact CD1-CE1 3.84Å; I11-F160 HydrophobicContact CD1-CZ 3.86Å; I11-F160 HydrophobicContact CG1-CE1 4.26Å
12	L	98.4	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	-178.4	-74.7	165.8	0	0	0	111.1	V10 T61 Q64 L70 F74 Y81 V82 L83 V84 L103	V10-L12 HydrophobicContact CG1-CD1 4.31Å; V10-L12 HydrophobicContact CG1-CD2 4.42Å; V10-L12 HydrophobicContact CG1-CG 3.97Å; L12-T61 HydrophobicContact CD2-CG2 4Å; L12-Q64 HydrophobicContact CD2-CG 4.25Å; L12-L70 HydrophobicContact CD2-CD2 4.36Å; L12-F74 HydrophobicContact CD2-CD2 3.88Å; L12-F74 HydrophobicContact CD2-CE2 4.17Å; L12-Y81 HydrophobicContact CD1-CD1 4.14Å; L12-Y81 HydrophobicContact CD1-CE1 4.29Å; L12-V82 PolarHBondContact N-O 3.07Å; L12-L83 HydrophobicContact CB-CD2 3.74Å; L12-L83 HydrophobicContact CD1-CD2 4.39Å; L12-L83 CarbonylContact O-C 3.6Å; L12-L83 WeakPolarHBondContact O-CA 3.14Å; L12-V84 PolarHBondContact O-N 2.87Å; L12-L103 HydrophobicContact CD1-CD1 3.76Å; L12-L103 HydrophobicContact CD1-CD2 3.91Å; L12-L103 HydrophobicContact CD1-CG 4.14Å
13	G	98.6	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.4	171.3	179.4	0	0	0	0	0	112.6	K19 G63 Q64 V84	G13-K19 PolarHBondContact O-NZ 2.89Å; G13-G63 WeakPolarHBondContact O-CA 3.31Å; G13-Q64 PolarHBondContact O-N 3.11Å; G13-V84 WeakPolarHBondContact CA-O 3.36Å
14	Y	98.4	Very high	96	Very high	28 Å²	28	33.6 Å²	33.6	11%	0.11	16%	0.163	C	C	.	.			trans	-60.3	165.9	-178.8	-167.9	-117	0	0	0	112.6	V17 K19 Q64 D65 H91 V95	Y14-V17 VanDerWaalsContact O-CG2 3.25Å; Y14-V17 WeakPolarHBondContact O-CG2 3.48Å; Y14-K19 PolarHBondContact O-NZ 2.85Å; Y14-Q64 WeakPolarHBondContact CA-O 3.49Å; Y14-Q64 WeakPolarHBondContact CD2-O 3.43Å; Y14-D65 HydrophobicContact CE2-CB 4.2Å; Y14-H91 AromaticContact CE1-CD2 3.8Å; Y14-H91 AromaticContact CE2-NE2 3.72Å; Y14-H91 AromaticContact CZ-CD2 3.56Å; Y14-H91 AromaticContact CZ-NE2 3.5Å; Y14-H91 PolarHBondContact OH-CD2 3Å; Y14-H91 PolarHBondContact OH-NE2 3.45Å; Y14-V95 HydrophobicContact CD2-CB 4.37Å; Y14-V95 HydrophobicContact CD2-CG1 4.07Å; Y14-V95 HydrophobicContact CD2-CG2 4.05Å; Y14-V95 HydrophobicContact CE2-CG2 4.38Å
15	R	96.4	Very high	97.2	Very high	140 Å²	140	30.3 Å²	30.3	53%	0.528	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	148.6	172.6	58.4	179.4	173.1	-123.7	2.3	110.7	V17	R15-V17 PolarHBondContact O-N 3.35Å
16	S	95.9	Very high	97.5	Very high	56 Å²	56	27.2 Å²	27.2	39%	0.392	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	12.9	173.8	-47.3	0	0	0	0	117.1	G18 Y35 K120	S16-G18 VanDerWaalsContact C-N 3.27Å; S16-G18 PolarHBondContact O-N 2.86Å; S16-Y35 PolarHBondContact OG-OH 3.23Å; S16-K120 VanDerWaalsContact O-CE 3.25Å; S16-K120 WeakPolarHBondContact O-CE 3.29Å; S16-K120 PolarHBondContact O-NZ 3.16Å
17	V	98	Very high	97.6	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.117	C	C	.	.	S	Bend	trans	-77.4	-10.1	175	-56.6	0	0	0	0	113.7	Y14 R15 K19 V84 N119	Y14-V17 VanDerWaalsContact O-CG2 3.25Å; Y14-V17 WeakPolarHBondContact O-CG2 3.48Å; R15-V17 PolarHBondContact O-N 3.35Å; V17-K19 HydrophobicContact CG2-CD 4.42Å; V17-K19 HydrophobicContact CG2-CG 3.68Å; V17-V84 HydrophobicContact CB-CG1 4.24Å; V17-V84 HydrophobicContact CG2-CB 3.96Å; V17-V84 HydrophobicContact CG2-CG1 3.78Å; V17-N119 PolarHBondContact O-ND2 2.91Å
18	G	97.7	Very high	97.6	Very high	12 Å²	12	27.1 Å²	27.1	12%	0.124	14%	0.137	C	C	.	.	S	Bend	trans	95.4	27.6	177.3	0	0	0	0	0	115.7	S16 S21 L22	S16-G18 VanDerWaalsContact C-N 3.27Å; S16-G18 PolarHBondContact O-N 2.86Å; G18-S21 PolarHBondContact O-N 3.2Å; G18-L22 WeakPolarHBondContact O-CG 3.49Å; G18-L22 PolarHBondContact O-N 3.11Å
19	K	98.3	Very high	97.4	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.048	15%	0.149	C	C	.	.	H	α-helix	trans	-54.9	-54.9	175.3	-59.8	-172.3	-62.1	-71.2	0	112.1	I11 G13 Y14 V17 S21 L22 A23 D60 T61 G63 V84	I11-K19 HydrophobicContact CG2-CB 3.81Å; I11-K19 HydrophobicContact CG2-CD 4.15Å; I11-K19 HydrophobicContact CG2-CG 3.91Å; G13-K19 PolarHBondContact O-NZ 2.89Å; Y14-K19 PolarHBondContact O-NZ 2.85Å; V17-K19 HydrophobicContact CG2-CD 4.42Å; V17-K19 HydrophobicContact CG2-CG 3.68Å; K19-S21 PolarHBondContact O-N 3.07Å; K19-L22 PolarHBondContact O-N 3.06Å; K19-A23 PolarHBondContact O-N 3.1Å; K19-D60 VanDerWaalsContact CB-OD1 3.26Å; K19-D60 WeakPolarHBondContact CB-OD1 3.43Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; K19-G63 VanDerWaalsContact NZ-CA 3.33Å; K19-V84 HydrophobicContact CG-CB 4.21Å; K19-V84 HydrophobicContact CG-CG2 4.34Å
20	T	97.8	Very high	97.1	Very high	41 Å²	41	33.2 Å²	33.2	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-42.1	177.6	-48.2	0	0	0	0	112	L22 A23 H24 T38 D60	T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.35Å; T20-A23 PolarHBondContact O-N 3.47Å; T20-H24 WeakPolarHBondContact O-CB 3.38Å; T20-H24 PolarHBondContact O-N 3.5Å; T20-T38 PolarHBondContact OG1-OG1 2.95Å; T20-D60 WeakPolarHBondContact CA-OD2 3.41Å; T20-D60 VanDerWaalsContact CB-OD2 3.23Å; T20-D60 WeakPolarHBondContact CB-OD2 3.32Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.3Å; T20-D60 PolarHBondContact N-OD1 3.5Å; T20-D60 PolarHBondContact OG1-OD1 3.37Å; T20-D60 PolarHBondContact OG1-OD2 3.24Å
21	S	97.6	Very high	96.8	Very high	37 Å²	37	36.7 Å²	36.7	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-40.4	177.6	-47.6	0	0	0	0	112.1	G18 K19 Q25	G18-S21 PolarHBondContact O-N 3.2Å; K19-S21 PolarHBondContact O-N 3.07Å; S21-Q25 WeakPolarHBondContact O-CB 3.14Å; S21-Q25 PolarHBondContact O-N 3.31Å
22	L	98.4	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-43.8	175.3	-71.7	171.3	0	0	0	111.8	G18 K19 T20 F26 V84 V117 N119 A150 T156 I159 F160	G18-L22 WeakPolarHBondContact O-CG 3.49Å; G18-L22 PolarHBondContact O-N 3.11Å; K19-L22 PolarHBondContact O-N 3.06Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.35Å; L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 2.92Å; L22-V84 HydrophobicContact CD1-CG1 3.93Å; L22-V84 HydrophobicContact CD1-CG2 4.16Å; L22-V117 HydrophobicContact CD1-CG1 4.22Å; L22-N119 HydrophobicContact CD1-CB 4.26Å; L22-A150 HydrophobicContact CD2-CB 4.03Å; L22-A150 HydrophobicContact CG-CB 4.34Å; L22-T156 HydrophobicContact CB-CG2 4.46Å; L22-T156 HydrophobicContact CD2-CG2 4.03Å; L22-T156 WeakPolarHBondContact O-CG2 3.33Å; L22-I159 HydrophobicContact CD1-CD1 4.2Å; L22-I159 HydrophobicContact CD2-CD1 3.9Å; L22-F160 HydrophobicContact CB-CE2 4.49Å
23	A	97.8	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-47.8	176.9	0	0	0	0	0	111.4	I11 K19 T20 F26 V27 Y43 D60	I11-A23 HydrophobicContact CD1-CB 3.72Å; K19-A23 PolarHBondContact O-N 3.1Å; T20-A23 PolarHBondContact O-N 3.47Å; A23-F26 WeakPolarHBondContact O-CB 3.47Å; A23-F26 PolarHBondContact O-N 3.16Å; A23-V27 WeakPolarHBondContact O-CG2 3.26Å; A23-V27 PolarHBondContact O-N 3.46Å; A23-Y43 HydrophobicContact CB-CD2 3.91Å; A23-Y43 HydrophobicContact CB-CE2 3.76Å; A23-D60 HydrophobicContact CB-CB 4.4Å
24	H	96.6	Very high	94.6	Very high	55 Å²	55	50.1 Å²	50.1	26%	0.255	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-48.4	179	-170.2	-86.3	0	0	0	111.9	T20 F26 V27 E28 E30	T20-H24 WeakPolarHBondContact O-CB 3.38Å; T20-H24 PolarHBondContact O-N 3.5Å; H24-F26 PolarHBondContact O-N 3.15Å; H24-V27 PolarHBondContact O-N 3.38Å; H24-V27 VanDerWaalsContact O-N 3.12Å; H24-E28 PolarHBondContact O-N 3.14Å; H24-E30 PolarHBondContact ND1-O 3.18Å
25	Q	97.3	Very high	93.5	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-37	175.4	174.3	65.8	-91.1	0	0	111.3	S21 G29 E30 A150 N153 T156	S21-Q25 WeakPolarHBondContact O-CB 3.14Å; S21-Q25 PolarHBondContact O-N 3.31Å; Q25-G29 VanDerWaalsContact O-CA 3.23Å; Q25-G29 WeakPolarHBondContact O-CA 3.48Å; Q25-G29 PolarHBondContact O-N 3.34Å; Q25-G29 VanDerWaalsContact O-N 3.11Å; Q25-G29 VanDerWaalsContact OE1-CA 3.27Å; Q25-G29 PolarHBondContact OE1-O 3.02Å; Q25-G29 VanDerWaalsContact OE1-O 3.12Å; Q25-E30 WeakPolarHBondContact CA-O 3.37Å; Q25-E30 PolarHBondContact N-O 3.47Å; Q25-A150 WeakPolarHBondContact CG-O 3.5Å; Q25-A150 PolarHBondContact NE2-O 3.35Å; Q25-N153 PolarHBondContact O-ND2 3.33Å; Q25-N153 PolarHBondContact OE1-ND2 3.41Å; Q25-T156 HydrophobicContact CB-CG2 4.02Å; Q25-T156 HydrophobicContact CG-CG2 3.83Å
26	F	97.5	Very high	92.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-43.2	175.6	176.2	-113	0	0	0	112.5	L22 A23 H24 K45 V47 L56 L58 T156 Q157 F160	L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.48Å; L22-F26 PolarHBondContact O-N 2.92Å; A23-F26 WeakPolarHBondContact O-CB 3.47Å; A23-F26 PolarHBondContact O-N 3.16Å; H24-F26 PolarHBondContact O-N 3.15Å; F26-K45 HydrophobicContact CD1-CD 3.98Å; F26-K45 HydrophobicContact CE1-CB 4.01Å; F26-K45 HydrophobicContact CE1-CD 3.52Å; F26-K45 HydrophobicContact CE1-CG 4.31Å; F26-K45 HydrophobicContact CE2-CD 4.17Å; F26-K45 HydrophobicContact CZ-CD 3.65Å; F26-K45 PolarHBondContact O-NZ 3.4Å; F26-V47 HydrophobicContact CE1-CG2 4.4Å; F26-V47 HydrophobicContact CZ-CG2 3.71Å; F26-L56 HydrophobicContact CE1-CD2 3.7Å; F26-L56 HydrophobicContact CZ-CD2 4.11Å; F26-L58 HydrophobicContact CD1-CD1 3.47Å; F26-L58 VanDerWaalsContact CD1-CD1 3.47Å; F26-L58 HydrophobicContact CE1-CD1 3.84Å; F26-T156 HydrophobicContact CB-CG2 3.95Å; F26-Q157 VanDerWaalsContact CD2-OE1 3.29Å; F26-Q157 PolarHBondContact O-NE2 3.36Å; F26-F160 HydrophobicContact CB-CD2 3.43Å; F26-F160 VanDerWaalsContact CB-CD2 3.43Å; F26-F160 HydrophobicContact CB-CE2 3.41Å; F26-F160 VanDerWaalsContact CB-CE2 3.41Å; F26-F160 HydrophobicContact CB-CG 4.34Å; F26-F160 HydrophobicContact CB-CZ 4.31Å; F26-F160 HydrophobicContact CD1-CB 4.19Å; F26-F160 HydrophobicContact CD1-CD1 4.41Å; F26-F160 AromaticContact CD1-CD2 3.8Å; F26-F160 HydrophobicContact CD1-CD2 3.8Å; F26-F160 HydrophobicContact CD1-CE2 4.27Å; F26-F160 AromaticContact CD1-CG 3.87Å; F26-F160 HydrophobicContact CD1-CG 3.87Å; F26-F160 HydrophobicContact CD2-CB 3.74Å; F26-F160 AromaticContact CD2-CD2 3.4Å; F26-F160 HydrophobicContact CD2-CD2 3.4Å; F26-F160 VanDerWaalsContact CD2-CD2 3.4Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.84Å; F26-F160 HydrophobicContact CD2-CG 3.84Å; F26-F160 HydrophobicContact CE1-CB 3.91Å; F26-F160 HydrophobicContact CE1-CD2 4.39Å; F26-F160 HydrophobicContact CE1-CG 4.05Å; F26-F160 HydrophobicContact CE2-CB 3.44Å; F26-F160 VanDerWaalsContact CE2-CB 3.44Å; F26-F160 HydrophobicContact CE2-CD2 4.06Å; F26-F160 HydrophobicContact CE2-CG 4.04Å; F26-F160 HydrophobicContact CG-CB 4.09Å; F26-F160 AromaticContact CG-CD2 3.23Å; F26-F160 HydrophobicContact CG-CD2 3.23Å; F26-F160 AromaticContact CG-CE2 3.75Å; F26-F160 HydrophobicContact CG-CE2 3.75Å; F26-F160 AromaticContact CG-CG 3.74Å; F26-F160 HydrophobicContact CG-CG 3.74Å; F26-F160 HydrophobicContact CZ-CB 3.5Å; F26-F160 VanDerWaalsContact CZ-CB 3.5Å; F26-F160 HydrophobicContact CZ-CD2 4.49Å; F26-F160 HydrophobicContact CZ-CG 4.11Å
27	V	96.2	Very high	92.3	Very high	27 Å²	27	56.6 Å²	56.6	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-83.2	-53.4	-171.7	-179.8	0	0	0	0	111.3	A23 H24 Y43 L58	A23-V27 WeakPolarHBondContact O-CG2 3.26Å; A23-V27 PolarHBondContact O-N 3.46Å; H24-V27 PolarHBondContact O-N 3.38Å; H24-V27 VanDerWaalsContact O-N 3.12Å; V27-Y43 HydrophobicContact CB-CD1 4.15Å; V27-Y43 HydrophobicContact CG1-CD1 4.23Å; V27-Y43 HydrophobicContact CG2-CD1 3.93Å; V27-Y43 HydrophobicContact CG2-CG 3.94Å; V27-L58 HydrophobicContact CG2-CD1 4.27Å
28	E	94.9	Very high	91.8	Very high	113 Å²	113	57.7 Å²	57.7	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-93.9	-17.6	-173	-54.7	-54.7	150.4	0	0	113	H24 E30	H24-E28 PolarHBondContact O-N 3.14Å; E28-E30 HydrophobicContact CB-CB 4.48Å; E28-E30 PolarHBondContact O-N 3.36Å
29	G	94.4	Very high	91.3	Very high	40 Å²	40	63.2 Å²	63.2	41%	0.412	36%	0.355	S	S	.	.	S	Bend	trans	74.6	15.9	-175.2	0	0	0	0	0	113.8	Q25	Q25-G29 VanDerWaalsContact O-CA 3.23Å; Q25-G29 WeakPolarHBondContact O-CA 3.48Å; Q25-G29 PolarHBondContact O-N 3.34Å; Q25-G29 VanDerWaalsContact O-N 3.11Å; Q25-G29 VanDerWaalsContact OE1-CA 3.27Å; Q25-G29 PolarHBondContact OE1-O 3.02Å; Q25-G29 VanDerWaalsContact OE1-O 3.12Å
30	E	92	Very high	91.1	Very high	127 Å²	127	67.2 Å²	67.2	59%	0.593	37%	0.374	S	S	*	.			trans	-122.3	146.9	-175.8	-65.7	-175.1	174	0	0	112.1	H24 Q25 E28	H24-E30 PolarHBondContact ND1-O 3.18Å; Q25-E30 WeakPolarHBondContact CA-O 3.37Å; Q25-E30 PolarHBondContact N-O 3.47Å; E28-E30 HydrophobicContact CB-CB 4.48Å; E28-E30 PolarHBondContact O-N 3.36Å
31	F	91.6	Very high	90.9	Very high	72 Å²	72	68.7 Å²	68.7	32%	0.316	38%	0.381	S	S	.	.			trans	-116.7	132.4	173.2	175.5	-101	0	0	0	110.2	E33 A150 R151	F31-E33 HydrophobicContact CD1-CG 4.46Å; F31-E33 HydrophobicContact CE1-CG 3.74Å; F31-A150 HydrophobicContact CD2-CB 3.77Å; F31-A150 WeakPolarHBondContact CD2-O 3.45Å; F31-A150 HydrophobicContact CE2-CB 3.84Å; F31-R151 HydrophobicContact CD1-CG 3.88Å; F31-R151 HydrophobicContact CD2-CG 4.37Å; F31-R151 HydrophobicContact CE1-CG 3.68Å; F31-R151 HydrophobicContact CE2-CG 4.23Å; F31-R151 HydrophobicContact CG-CG 4.21Å; F31-R151 HydrophobicContact CZ-CG 3.88Å
32	S	88.4	Confident	90.8	Very high	77 Å²	77	70.2 Å²	70.2	54%	0.538	39%	0.388	S	S	.	.			trans	-116.5	138	174.2	179.9	0	0	0	0	110.2	G34	S32-G34 VanDerWaalsContact C-N 3.31Å; S32-G34 PolarHBondContact OG-N 3.28Å
33	E	81.3	Confident	90.7	Very high	144 Å²	144	71.9 Å²	71.9	67%	0.673	40%	0.395	S	S	*	.			trans	-81	-13.6	176	-64.8	-166.4	156.9	0	0	112.8	F31 R151	F31-E33 HydrophobicContact CD1-CG 4.46Å; F31-E33 HydrophobicContact CE1-CG 3.74Å; E33-R151 IonicContact OE1-CZ 3.54Å; E33-R151 IonicContact OE1-NH1 3.52Å; E33-R151 PolarHBondContact OE1-NH1 3.25Å; E33-R151 IonicContact OE1-NH2 3.55Å; E33-R151 PolarHBondContact OE1-NH2 3.36Å
34	G	81.1	Confident	90.6	Very high	61 Å²	61	76 Å²	76	63%	0.629	42%	0.423	S	S	*	.			trans	-67.6	139.9	177	0	0	0	0	0	112.1	S32	S32-G34 VanDerWaalsContact C-N 3.31Å; S32-G34 PolarHBondContact OG-N 3.28Å
35	Y	74.8	Confident	90.6	Very high	140 Å²	140	76.1 Å²	76.1	55%	0.549	42%	0.423	S	S	.	.			trans	-112.5	115.1	172.4	179.9	-105	0	0	0	110.2	S16 P37	S16-Y35 PolarHBondContact OG-OH 3.23Å; Y35-P37 HydrophobicContact CD1-CG 4.46Å; Y35-P37 HydrophobicContact CE1-CB 4.47Å; Y35-P37 HydrophobicContact CE1-CG 3.79Å
36	D	82.4	Confident	90.5	Very high	137 Å²	137	80.2 Å²	80.2	73%	0.733	44%	0.444	S	S	*	.			trans	-116.1	121.3	166.9	-167.2	5.8	0	0	0	108.3	T38	D36-T38 PolarHBondContact O-N 2.69Å; D36-T38 VanDerWaalsContact O-N 3.16Å
37	P	84.9	Confident	90.4	Very high	84 Å²	84	80.9 Å²	80.9	55%	0.545	45%	0.448	S	S	.	.			trans	-56.7	118.1	179.2	-24.8	33	0	0	0	113	Y35	Y35-P37 HydrophobicContact CD1-CG 4.46Å; Y35-P37 HydrophobicContact CE1-CB 4.47Å; Y35-P37 HydrophobicContact CE1-CG 3.79Å
38	T	86.2	Confident	90.2	Very high	24 Å²	24	84 Å²	84	15%	0.147	47%	0.468	C	S	.	.			trans	-69.4	134.5	177.6	-45	0	0	0	0	111.8	T20 D36 N41 D60 A62	T20-T38 PolarHBondContact OG1-OG1 2.95Å; D36-T38 PolarHBondContact O-N 2.69Å; D36-T38 VanDerWaalsContact O-N 3.16Å; T38-N41 HydrophobicContact CG2-CB 4.39Å; T38-D60 WeakPolarHBondContact CG2-OD2 3.35Å; T38-A62 VanDerWaalsContact O-CA 3.26Å; T38-A62 WeakPolarHBondContact O-CA 3.41Å; T38-A62 WeakPolarHBondContact O-CB 3.2Å
39	V	88.2	Confident	89.8	Confident	128 Å²	128	80.4 Å²	80.4	78%	0.776	45%	0.452	S	S	*	.	S	Bend	trans	-87.1	-68.8	164.2	178.6	0	0	0	0	108.9	A62	V39-A62 VanDerWaalsContact O-CB 3.31Å; V39-A62 WeakPolarHBondContact O-CB 3.34Å; V39-A62 PolarHBondContact O-N 2.93Å
40	E	93.3	Very high	89.5	Confident	95 Å²	95	82.3 Å²	82.3	44%	0.444	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	131.1	166.8	-176.3	176.5	108.6	0	0	106.5	V59 D60 F74	E40-V59 HydrophobicContact CG-CG1 4Å; E40-D60 WeakPolarHBondContact CA-O 3.05Å; E40-F74 VanDerWaalsContact OE2-CE1 3.29Å; E40-F74 WeakPolarHBondContact OE2-CE1 3.17Å
41	N	94.4	Very high	89.2	Confident	73 Å²	73	85.2 Å²	85.2	39%	0.39	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.5	175.7	-77.2	-34.1	0	0	0	109.5	T38 Y43 D60	T38-N41 HydrophobicContact CG2-CB 4.39Å; N41-Y43 HydrophobicContact CB-CE2 3.99Å; N41-D60 HydrophobicContact CB-CB 4.28Å; N41-D60 PolarHBondContact N-O 3.19Å; N41-D60 PolarHBondContact O-N 3Å
42	T	95.7	Very high	89	Confident	69 Å²	69	84.2 Å²	84.2	42%	0.423	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.6	179.1	-65.6	0	0	0	0	110	H57 L58	T42-H57 WeakPolarHBondContact CG2-CE1 3.39Å; T42-H57 WeakPolarHBondContact CG2-NE2 3.49Å; T42-L58 CarbonylContact C-O 3.56Å; T42-L58 VanDerWaalsContact CA-O 3.29Å; T42-L58 WeakPolarHBondContact CA-O 3.44Å
43	Y	96.5	Very high	89.2	Confident	36 Å²	36	84 Å²	84	14%	0.141	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.6	175	-55.3	-98.3	0	0	0	110.4	A23 V27 N41 L58 D60	A23-Y43 HydrophobicContact CB-CD2 3.91Å; A23-Y43 HydrophobicContact CB-CE2 3.76Å; V27-Y43 HydrophobicContact CB-CD1 4.15Å; V27-Y43 HydrophobicContact CG1-CD1 4.23Å; V27-Y43 HydrophobicContact CG2-CD1 3.93Å; V27-Y43 HydrophobicContact CG2-CG 3.94Å; N41-Y43 HydrophobicContact CB-CE2 3.99Å; Y43-L58 PolarHBondContact N-O 2.86Å; Y43-L58 PolarHBondContact O-N 2.97Å; Y43-D60 HydrophobicContact CD2-CB 4.42Å; Y43-D60 HydrophobicContact CE2-CB 3.98Å
44	S	95.9	Very high	89.9	Confident	85 Å²	85	77.3 Å²	77.3	59%	0.594	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.3	173.1	-63.5	0	0	0	0	109.8	L56	S44-L56 VanDerWaalsContact CA-O 3.31Å; S44-L56 WeakPolarHBondContact CA-O 3.23Å
45	K	96	Very high	90.6	Very high	58 Å²	58	77.4 Å²	77.4	25%	0.252	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.2	175.8	-168.3	-179.9	-171.3	179.6	0	110.5	F26 V47 L56	F26-K45 HydrophobicContact CD1-CD 3.98Å; F26-K45 HydrophobicContact CE1-CB 4.01Å; F26-K45 HydrophobicContact CE1-CD 3.52Å; F26-K45 HydrophobicContact CE1-CG 4.31Å; F26-K45 HydrophobicContact CE2-CD 4.17Å; F26-K45 HydrophobicContact CZ-CD 3.65Å; F26-K45 PolarHBondContact O-NZ 3.4Å; K45-V47 HydrophobicContact CG-CG2 4.47Å; K45-L56 PolarHBondContact N-O 2.92Å; K45-L56 WeakPolarHBondContact O-CB 3.47Å; K45-L56 PolarHBondContact O-N 2.9Å
46	I	95.7	Very high	91.7	Very high	94 Å²	94	70.8 Å²	70.8	48%	0.482	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.4	169.7	-60.9	178.2	0	0	0	108.3	E53 F54	I46-E53 VanDerWaalsContact CG2-CD 3.49Å; I46-E53 HydrophobicContact CG2-CG 3.38Å; I46-F54 WeakPolarHBondContact CA-O 3.5Å
47	V	94.3	Very high	92.4	Very high	14 Å²	14	66.3 Å²	66.3	9%	0.085	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	-180	-173.1	0	0	0	0	109.2	F26 K45 L49 F54 L56 I164	F26-V47 HydrophobicContact CE1-CG2 4.4Å; F26-V47 HydrophobicContact CZ-CG2 3.71Å; K45-V47 HydrophobicContact CG-CG2 4.47Å; V47-L49 HydrophobicContact CG1-CD2 4.19Å; V47-L49 HydrophobicContact CG1-CG 4.37Å; V47-F54 PolarHBondContact N-O 2.85Å; V47-F54 PolarHBondContact O-N 3.47Å; V47-L56 HydrophobicContact CG2-CB 4.31Å; V47-I164 HydrophobicContact CB-CD1 3.77Å; V47-I164 HydrophobicContact CG1-CD1 3.77Å; V47-I164 HydrophobicContact CG2-CD1 3.83Å
48	T	91.7	Very high	93	Very high	93 Å²	93	62.4 Å²	62.4	57%	0.571	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.5	177.2	-50.5	0	0	0	0	109.9	D52	T48-D52 WeakPolarHBondContact CA-O 3.16Å
49	L	88.1	Confident	93.6	Very high	38 Å²	38	61.4 Å²	61.4	20%	0.199	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	103	173.5	-60.5	-176.4	0	0	0	109.6	V47 K51 D52 F54 T161 I164 Q165	V47-L49 HydrophobicContact CG1-CD2 4.19Å; V47-L49 HydrophobicContact CG1-CG 4.37Å; L49-K51 PolarHBondContact O-N 3.29Å; L49-K51 VanDerWaalsContact O-N 3.09Å; L49-D52 PolarHBondContact N-O 3.35Å; L49-D52 PolarHBondContact O-N 2.76Å; L49-D52 VanDerWaalsContact O-N 3.11Å; L49-F54 HydrophobicContact CB-CE2 4.17Å; L49-F54 HydrophobicContact CD1-CD2 4.44Å; L49-F54 HydrophobicContact CD1-CE2 4.2Å; L49-F54 HydrophobicContact CG-CD2 4.39Å; L49-F54 HydrophobicContact CG-CE2 4.36Å; L49-T161 HydrophobicContact CD2-CG2 3.71Å; L49-I164 HydrophobicContact CD1-CB 3.92Å; L49-I164 HydrophobicContact CD1-CG2 3.45Å; L49-I164 VanDerWaalsContact CD1-CG2 3.45Å; L49-I164 HydrophobicContact CG-CG2 4.46Å; L49-Q165 HydrophobicContact CD1-CG 3.93Å
50	G	87	Confident	94	Very high	80 Å²	80	55.3 Å²	55.3	83%	0.825	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	-110.4	-173.5	0	0	0	0	0	110.9
51	K	85.9	Confident	94.2	Very high	187 Å²	187	50.8 Å²	50.8	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-8.7	178.9	68.3	177.8	-178.3	-179.7	0	114.1	L49	L49-K51 PolarHBondContact O-N 3.29Å; L49-K51 VanDerWaalsContact O-N 3.09Å
52	D	88.1	Confident	94.3	Very high	52 Å²	52	48.7 Å²	48.7	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.9	-176.9	-69.6	-66.9	0	0	0	110.1	R5 T48 L49 F54	R5-D52 IonicContact CZ-OD1 3.07Å; R5-D52 IonicContact NE-OD1 2.73Å; R5-D52 IonicContact NH2-OD1 2.95Å; R5-D52 PolarHBondContact NH2-OD1 3.05Å; R5-D52 IonicContact NH2-OD2 2.76Å; T48-D52 WeakPolarHBondContact CA-O 3.16Å; L49-D52 PolarHBondContact N-O 3.35Å; L49-D52 PolarHBondContact O-N 2.76Å; L49-D52 VanDerWaalsContact O-N 3.11Å; D52-F54 HydrophobicContact CB-CD2 4.41Å; D52-F54 HydrophobicContact CB-CE2 3.6Å; D52-F54 HydrophobicContact CB-CZ 4.03Å
53	E	92.6	Very high	94.2	Very high	72 Å²	72	47 Å²	47	34%	0.336	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.5	174.9	-172.6	-177.8	111.9	0	0	109.7	R5 I46 H55	R5-E53 PolarHBondContact N-O 3.18Å; I46-E53 VanDerWaalsContact CG2-CD 3.49Å; I46-E53 HydrophobicContact CG2-CG 3.38Å; E53-H55 IonicContact OE1-CD2 3.43Å; E53-H55 IonicContact OE1-NE2 2.82Å; E53-H55 PolarHBondContact OE1-NE2 3.29Å
54	F	94.4	Very high	94.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.4	-179.7	-63.3	-92.7	0	0	0	110.1	R5 R7 I46 V47 L49 D52 L56 I164 A168	R5-F54 HydrophobicContact CB-CD1 3.77Å; R5-F54 HydrophobicContact CB-CE1 4.05Å; R5-F54 CarbonylContact O-C 3.41Å; R5-F54 WeakPolarHBondContact O-CA 3.36Å; R7-F54 HydrophobicContact CG-CD1 3.98Å; I46-F54 WeakPolarHBondContact CA-O 3.5Å; V47-F54 PolarHBondContact N-O 2.85Å; V47-F54 PolarHBondContact O-N 3.47Å; L49-F54 HydrophobicContact CB-CE2 4.17Å; L49-F54 HydrophobicContact CD1-CD2 4.44Å; L49-F54 HydrophobicContact CD1-CE2 4.2Å; L49-F54 HydrophobicContact CG-CD2 4.39Å; L49-F54 HydrophobicContact CG-CE2 4.36Å; D52-F54 HydrophobicContact CB-CD2 4.41Å; D52-F54 HydrophobicContact CB-CE2 3.6Å; D52-F54 HydrophobicContact CB-CZ 4.03Å; F54-L56 PolarHBondContact O-N 3.43Å; F54-I164 HydrophobicContact CB-CG2 4.26Å; F54-I164 HydrophobicContact CD1-CG2 3.79Å; F54-I164 HydrophobicContact CD2-CG2 3.69Å; F54-I164 HydrophobicContact CE1-CG2 3.97Å; F54-I164 HydrophobicContact CE2-CG2 3.89Å; F54-I164 HydrophobicContact CG-CG2 3.63Å; F54-I164 HydrophobicContact CZ-CG2 4.03Å; F54-A168 HydrophobicContact CZ-CB 4.29Å
55	H	96.1	Very high	94.1	Very high	63 Å²	63	44.9 Å²	44.9	29%	0.292	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	94.5	170.9	-74.4	-150.8	0	0	0	106.8	V4 R5 Y6 R7 E53	V4-H55 HydrophobicContact CG1-CB 4.14Å; V4-H55 WeakPolarHBondContact CG1-CD2 3.2Å; V4-H55 WeakPolarHBondContact CG1-NE2 3.34Å; R5-H55 PolarHBondContact O-N 3.5Å; Y6-H55 WeakPolarHBondContact CA-O 3.33Å; Y6-H55 HydrophobicContact CD2-CB 4.46Å; R7-H55 PolarHBondContact N-O 3.08Å; E53-H55 IonicContact OE1-CD2 3.43Å; E53-H55 IonicContact OE1-NE2 2.82Å; E53-H55 PolarHBondContact OE1-NE2 3.29Å
56	L	97.4	Very high	93.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.5	-175.5	-169.2	72.7	0	0	0	109.7	R7 V9 F26 S44 K45 V47 F54 L58 F160 I164	R7-L56 HydrophobicContact CB-CD1 4.22Å; R7-L56 WeakPolarHBondContact O-CA 3.38Å; V9-L56 HydrophobicContact CB-CD1 4.17Å; V9-L56 HydrophobicContact CG2-CD1 3.71Å; F26-L56 HydrophobicContact CE1-CD2 3.7Å; F26-L56 HydrophobicContact CZ-CD2 4.11Å; S44-L56 VanDerWaalsContact CA-O 3.31Å; S44-L56 WeakPolarHBondContact CA-O 3.23Å; K45-L56 PolarHBondContact N-O 2.92Å; K45-L56 WeakPolarHBondContact O-CB 3.47Å; K45-L56 PolarHBondContact O-N 2.9Å; V47-L56 HydrophobicContact CG2-CB 4.31Å; F54-L56 PolarHBondContact O-N 3.43Å; L56-L58 HydrophobicContact CD2-CD1 4.1Å; L56-L58 HydrophobicContact CD2-CD2 3.54Å; L56-L58 HydrophobicContact CD2-CG 3.74Å; L56-L58 HydrophobicContact CG-CD2 3.94Å; L56-L58 HydrophobicContact CG-CG 4.07Å; L56-F160 HydrophobicContact CD2-CB 4.43Å; L56-F160 HydrophobicContact CD2-CD1 4.45Å; L56-I164 HydrophobicContact CD1-CD1 4.13Å; L56-I164 HydrophobicContact CD1-CG1 3.9Å; L56-I164 HydrophobicContact CD2-CD1 4.1Å; L56-I164 HydrophobicContact CG-CD1 4.5Å
57	H	97.7	Very high	93.7	Very high	43 Å²	43	49.4 Å²	49.4	20%	0.199	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.2	173.9	-172.1	87.4	0	0	0	108.6	Y6 R7 K8 V9 T42	Y6-H57 HydrophobicContact CE1-CB 4.49Å; Y6-H57 HydrophobicContact CE2-CB 3.63Å; Y6-H57 AromaticContact CZ-CG 3.86Å; Y6-H57 WeakPolarHBondContact OH-CB 3.37Å; Y6-H57 PolarHBondContact OH-CD2 3.01Å; Y6-H57 PolarHBondContact OH-ND1 3.48Å; R7-H57 PolarHBondContact O-N 3.06Å; K8-H57 CarbonylContact C-O 3.59Å; K8-H57 WeakPolarHBondContact CA-O 3.46Å; V9-H57 PolarHBondContact N-O 3.24Å; T42-H57 WeakPolarHBondContact CG2-CE1 3.39Å; T42-H57 WeakPolarHBondContact CG2-NE2 3.49Å
58	L	98.1	Very high	93.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.6	-178.3	-68.2	178.4	0	0	0	109.9	V9 F26 V27 T42 Y43 L56 F160	V9-L58 HydrophobicContact CB-CD2 3.84Å; V9-L58 HydrophobicContact CG1-CD2 3.82Å; V9-L58 WeakPolarHBondContact O-CA 3.31Å; F26-L58 HydrophobicContact CD1-CD1 3.47Å; F26-L58 VanDerWaalsContact CD1-CD1 3.47Å; F26-L58 HydrophobicContact CE1-CD1 3.84Å; V27-L58 HydrophobicContact CG2-CD1 4.27Å; T42-L58 CarbonylContact C-O 3.56Å; T42-L58 VanDerWaalsContact CA-O 3.29Å; T42-L58 WeakPolarHBondContact CA-O 3.44Å; Y43-L58 PolarHBondContact N-O 2.86Å; Y43-L58 PolarHBondContact O-N 2.97Å; L56-L58 HydrophobicContact CD2-CD1 4.1Å; L56-L58 HydrophobicContact CD2-CD2 3.54Å; L56-L58 HydrophobicContact CD2-CG 3.74Å; L56-L58 HydrophobicContact CG-CD2 3.94Å; L56-L58 HydrophobicContact CG-CG 4.07Å; L58-F160 HydrophobicContact CD1-CD1 4Å; L58-F160 HydrophobicContact CD1-CE1 3.79Å; L58-F160 HydrophobicContact CD1-CZ 4.25Å; L58-F160 HydrophobicContact CD2-CD1 3.67Å; L58-F160 HydrophobicContact CD2-CE1 3.61Å; L58-F160 HydrophobicContact CG-CD1 4.5Å; L58-F160 HydrophobicContact CG-CE1 4.37Å
59	V	98.3	Very high	93.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.7	171.2	-174.2	0	0	0	0	108	K8 V9 V10 I11 E40 T61 F74	K8-V59 HydrophobicContact CG-CG2 4.31Å; V9-V59 PolarHBondContact O-N 3.45Å; V10-V59 HydrophobicContact CG1-CB 4.45Å; V10-V59 HydrophobicContact CG2-CB 4.14Å; V10-V59 HydrophobicContact CG2-CG2 4.38Å; I11-V59 PolarHBondContact N-O 3.44Å; E40-V59 HydrophobicContact CG-CG1 4Å; V59-T61 HydrophobicContact CG1-CG2 4.25Å; V59-F74 HydrophobicContact CG1-CE1 4.38Å
60	D	97.5	Very high	94	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119	171.1	175.4	41.8	0	0	0	109.2	K19 T20 A23 T38 E40 N41 Y43	K19-D60 VanDerWaalsContact CB-OD1 3.26Å; K19-D60 WeakPolarHBondContact CB-OD1 3.43Å; T20-D60 WeakPolarHBondContact CA-OD2 3.41Å; T20-D60 VanDerWaalsContact CB-OD2 3.23Å; T20-D60 WeakPolarHBondContact CB-OD2 3.32Å; T20-D60 WeakPolarHBondContact CG2-OD2 3.3Å; T20-D60 PolarHBondContact N-OD1 3.5Å; T20-D60 PolarHBondContact OG1-OD1 3.37Å; T20-D60 PolarHBondContact OG1-OD2 3.24Å; A23-D60 HydrophobicContact CB-CB 4.4Å; T38-D60 WeakPolarHBondContact CG2-OD2 3.35Å; E40-D60 WeakPolarHBondContact CA-O 3.05Å; N41-D60 HydrophobicContact CB-CB 4.28Å; N41-D60 PolarHBondContact N-O 3.19Å; N41-D60 PolarHBondContact O-N 3Å; Y43-D60 HydrophobicContact CD2-CB 4.42Å; Y43-D60 HydrophobicContact CE2-CB 3.98Å
61	T	97.3	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	159.3	-172.4	75.1	0	0	0	0	112	V10 I11 L12 K19 V59 F74	V10-T61 HydrophobicContact CG1-CG2 3.73Å; I11-T61 WeakPolarHBondContact O-CG2 3.36Å; I11-T61 PolarHBondContact O-OG1 3.38Å; I11-T61 VanDerWaalsContact O-OG1 3.09Å; L12-T61 HydrophobicContact CD2-CG2 4Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; V59-T61 HydrophobicContact CG1-CG2 4.25Å; T61-F74 HydrophobicContact CG2-CD1 4.33Å; T61-F74 HydrophobicContact CG2-CD2 4.26Å; T61-F74 HydrophobicContact CG2-CE1 3.77Å; T61-F74 HydrophobicContact CG2-CE2 3.68Å; T61-F74 HydrophobicContact CG2-CZ 3.42Å; T61-F74 VanDerWaalsContact CG2-CZ 3.42Å
62	A	95.6	Very high	94.7	Very high	28 Å²	28	50.6 Å²	50.6	23%	0.231	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-50.3	152	158.9	0	0	0	0	0	111.9	T38 V39 Q64	T38-A62 VanDerWaalsContact O-CA 3.26Å; T38-A62 WeakPolarHBondContact O-CA 3.41Å; T38-A62 WeakPolarHBondContact O-CB 3.2Å; V39-A62 VanDerWaalsContact O-CB 3.31Å; V39-A62 WeakPolarHBondContact O-CB 3.34Å; V39-A62 PolarHBondContact O-N 2.93Å; A62-Q64 PolarHBondContact O-N 2.94Å; A62-Q64 PolarHBondContact O-NE2 3.34Å; A62-Q64 VanDerWaalsContact O-NE2 3.16Å
63	G	93.8	Very high	94.9	Very high	33 Å²	33	50.8 Å²	50.8	34%	0.34	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-60	133	170	0	0	0	0	0	111.9	G13 K19	G13-G63 WeakPolarHBondContact O-CA 3.31Å; K19-G63 VanDerWaalsContact NZ-CA 3.33Å
64	Q	95.1	Very high	95	Very high	26 Å²	26	47.8 Å²	47.8	12%	0.121	24%	0.243	C	C	.	.			trans	-111.8	146.5	179	-55.1	-61.4	-48.5	0	0	109.7	L12 G13 Y14 A62 L70 V95 L99	L12-Q64 HydrophobicContact CD2-CG 4.25Å; G13-Q64 PolarHBondContact O-N 3.11Å; Y14-Q64 WeakPolarHBondContact CA-O 3.49Å; Y14-Q64 WeakPolarHBondContact CD2-O 3.43Å; A62-Q64 PolarHBondContact O-N 2.94Å; A62-Q64 PolarHBondContact O-NE2 3.34Å; A62-Q64 VanDerWaalsContact O-NE2 3.16Å; Q64-L70 HydrophobicContact CG-CD2 4.42Å; Q64-V95 WeakPolarHBondContact O-CG1 3.42Å; Q64-L99 HydrophobicContact CB-CD1 4.03Å; Q64-L99 HydrophobicContact CB-CD2 3.68Å
65	D	95.4	Very high	95	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.273	25%	0.248	S	C	.	.			trans	-107.2	-179.3	172.9	63.4	28.4	0	0	0	111.8	Y14 Y67 S68	Y14-D65 HydrophobicContact CE2-CB 4.2Å; D65-Y67 PolarHBondContact O-N 3.07Å; D65-Y67 WeakPolarHBondContact OD1-CA 3.32Å; D65-Y67 PolarHBondContact OD1-N 3.25Å; D65-S68 PolarHBondContact N-OG 3.01Å; D65-S68 WeakPolarHBondContact O-CB 3.21Å; D65-S68 PolarHBondContact O-N 2.91Å; D65-S68 PolarHBondContact OD1-N 3.39Å; D65-S68 PolarHBondContact OD1-OG 3.31Å
66	E	91.6	Very high	94.9	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.3	-180	66.6	-87.9	-154.5	0	0	113.8	H91 K102	E66-H91 IonicContact OE2-CE1 2.69Å; E66-K102 VanDerWaalsContact C-NZ 3.28Å; E66-K102 WeakPolarHBondContact O-CE 3.33Å; E66-K102 PolarHBondContact O-NZ 3.12Å
67	Y	92.9	Very high	94.7	Very high	185 Å²	185	53.8 Å²	53.8	73%	0.725	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.6	179.3	-55.4	-70.6	0	0	0	113.2	D65	D65-Y67 PolarHBondContact O-N 3.07Å; D65-Y67 WeakPolarHBondContact OD1-CA 3.32Å; D65-Y67 PolarHBondContact OD1-N 3.25Å
68	S	91.6	Very high	94.6	Very high	24 Å²	24	52.4 Å²	52.4	17%	0.168	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.3	135.5	-175.4	-62.8	0	0	0	0	112.5	D65 K102	D65-S68 PolarHBondContact N-OG 3.01Å; D65-S68 WeakPolarHBondContact O-CB 3.21Å; D65-S68 PolarHBondContact O-N 2.91Å; D65-S68 PolarHBondContact OD1-N 3.39Å; D65-S68 PolarHBondContact OD1-OG 3.31Å; S68-K102 PolarHBondContact O-NZ 3.21Å
69	I	93.4	Very high	94.6	Very high	154 Å²	154	55.1 Å²	55.1	79%	0.79	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-89.3	123.9	174	-60.5	173.7	0	0	0	108	P71	I69-P71 VanDerWaalsContact O-CD 3.32Å; I69-P71 WeakPolarHBondContact O-CD 3.46Å
70	L	93.8	Very high	94.5	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.089	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-73.1	123	179	-62.3	-176.3	0	0	0	110.4	L12 Q64 L99 K102 L103	L12-L70 HydrophobicContact CD2-CD2 4.36Å; Q64-L70 HydrophobicContact CG-CD2 4.42Å; L70-L99 HydrophobicContact CD2-CD2 4.21Å; L70-K102 HydrophobicContact CD1-CB 3.77Å; L70-K102 HydrophobicContact CG-CB 4.26Å; L70-K102 HydrophobicContact CG-CD 4.47Å; L70-L103 HydrophobicContact CD1-CD2 3.73Å; L70-L103 HydrophobicContact CD1-CG 3.76Å
71	P	93.9	Very high	94.6	Very high	56 Å²	56	55 Å²	55	36%	0.364	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-56.3	145	172.3	-25.7	34.1	0	0	0	112.3	I69 S73 F74	I69-P71 VanDerWaalsContact O-CD 3.32Å; I69-P71 WeakPolarHBondContact O-CD 3.46Å; P71-S73 WeakPolarHBondContact CB-OG 3.27Å; P71-S73 PolarHBondContact O-N 2.99Å; P71-S73 VanDerWaalsContact O-N 3.09Å; P71-F74 HydrophobicContact CB-CD2 4.49Å; P71-F74 HydrophobicContact CB-CG 4.5Å; P71-F74 HydrophobicContact CG-CD2 4.12Å; P71-F74 HydrophobicContact CG-CE2 3.88Å; P71-F74 HydrophobicContact CG-CZ 4.14Å; P71-F74 WeakPolarHBondContact O-CB 3.1Å; P71-F74 PolarHBondContact O-N 2.85Å
72	Y	93.6	Very high	94.7	Very high	185 Å²	185	55 Å²	55	73%	0.725	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-56.4	-28.2	174.7	-74.2	-70.2	0	0	0	113.2	F74 I75 I76	Y72-F74 PolarHBondContact O-N 2.98Å; Y72-I75 PolarHBondContact O-N 3.5Å; Y72-I76 HydrophobicContact CD1-CD1 4.33Å; Y72-I76 PolarHBondContact O-N 3.25Å
73	S	93.7	Very high	94.8	Very high	57 Å²	57	53.7 Å²	53.7	40%	0.399	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.9	175	56.3	0	0	0	0	113.3	K8 P71	K8-S73 PolarHBondContact NZ-O 2.84Å; P71-S73 WeakPolarHBondContact CB-OG 3.27Å; P71-S73 PolarHBondContact O-N 2.99Å; P71-S73 VanDerWaalsContact O-N 3.09Å
74	F	94.9	Very high	95.1	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-89.4	-4.5	175.5	-59.5	-8.5	0	0	0	112.6	V10 L12 E40 V59 T61 P71 Y72 V78 Y81	V10-F74 HydrophobicContact CG1-CB 4.45Å; V10-F74 HydrophobicContact CG1-CD1 4.28Å; V10-F74 HydrophobicContact CG1-CG 4.27Å; L12-F74 HydrophobicContact CD2-CD2 3.88Å; L12-F74 HydrophobicContact CD2-CE2 4.17Å; E40-F74 VanDerWaalsContact OE2-CE1 3.29Å; E40-F74 WeakPolarHBondContact OE2-CE1 3.17Å; V59-F74 HydrophobicContact CG1-CE1 4.38Å; T61-F74 HydrophobicContact CG2-CD1 4.33Å; T61-F74 HydrophobicContact CG2-CD2 4.26Å; T61-F74 HydrophobicContact CG2-CE1 3.77Å; T61-F74 HydrophobicContact CG2-CE2 3.68Å; T61-F74 HydrophobicContact CG2-CZ 3.42Å; T61-F74 VanDerWaalsContact CG2-CZ 3.42Å; P71-F74 HydrophobicContact CB-CD2 4.49Å; P71-F74 HydrophobicContact CB-CG 4.5Å; P71-F74 HydrophobicContact CG-CD2 4.12Å; P71-F74 HydrophobicContact CG-CE2 3.88Å; P71-F74 HydrophobicContact CG-CZ 4.14Å; P71-F74 WeakPolarHBondContact O-CB 3.1Å; P71-F74 PolarHBondContact O-N 2.85Å; Y72-F74 PolarHBondContact O-N 2.98Å; F74-V78 WeakPolarHBondContact O-CG2 3.41Å; F74-Y81 WeakPolarHBondContact O-CE1 3.35Å; F74-Y81 VanDerWaalsContact O-CZ 3.29Å; F74-Y81 PolarHBondContact O-OH 2.92Å
75	I	94.4	Very high	95.2	Very high	23 Å²	23	50.9 Å²	50.9	12%	0.118	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-53.5	-179.9	-61.1	166.9	0	0	0	109.4	Y72 H107	Y72-I75 PolarHBondContact O-N 3.5Å; I75-H107 PolarHBondContact O-CE1 2.78Å; I75-H107 PolarHBondContact O-NE2 3.37Å
76	I	93	Very high	95.4	Very high	120 Å²	120	48.6 Å²	48.6	62%	0.615	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	130.1	-173.1	-58.3	176.9	0	0	0	110.7	Y72 V78	Y72-I76 HydrophobicContact CD1-CD1 4.33Å; Y72-I76 PolarHBondContact O-N 3.25Å; I76-V78 PolarHBondContact O-N 2.73Å
77	G	92.7	Very high	95.7	Very high	52 Å²	52	45.6 Å²	45.6	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	13	175.7	0	0	0	0	0	114.6	H79	G77-H79 PolarHBondContact O-CE1 2.67Å; G77-H79 PolarHBondContact O-ND1 2.95Å
78	V	96.6	Very high	96	Very high	14 Å²	14	37.8 Å²	37.8	9%	0.085	21%	0.207	C	C	.	.			trans	-86.7	131.8	174.9	-178.7	0	0	0	0	109.6	K8 V10 F74 I76 G80 Y81	K8-V78 HydrophobicContact CD-CG2 4.21Å; V10-V78 HydrophobicContact CB-CG1 4.31Å; V10-V78 HydrophobicContact CG2-CB 4.31Å; V10-V78 HydrophobicContact CG2-CG1 3.77Å; V10-V78 HydrophobicContact CG2-CG2 3.51Å; F74-V78 WeakPolarHBondContact O-CG2 3.41Å; I76-V78 PolarHBondContact O-N 2.73Å; V78-G80 VanDerWaalsContact CG1-O 3.26Å; V78-G80 WeakPolarHBondContact CG1-O 3.43Å; V78-Y81 HydrophobicContact CB-CE1 4.3Å; V78-Y81 HydrophobicContact CB-CE2 4.46Å; V78-Y81 WeakPolarHBondContact CB-OH 3.22Å; V78-Y81 HydrophobicContact CG1-CD1 4.17Å; V78-Y81 HydrophobicContact CG1-CD2 4.41Å; V78-Y81 HydrophobicContact CG1-CE1 3.64Å; V78-Y81 HydrophobicContact CG1-CE2 3.92Å; V78-Y81 VanDerWaalsContact CG1-CZ 3.47Å; V78-Y81 HydrophobicContact CG2-CE1 4.49Å
79	H	96.7	Very high	96.3	Very high	57 Å²	57	38.1 Å²	38.1	26%	0.264	21%	0.209	S	C	.	.			trans	-94.9	-28.9	-177.6	-57.9	77.2	0	0	0	111.7	R7 K8 G77 P113 I167	R7-H79 VanDerWaalsContact CD-CD2 3.49Å; R7-H79 WeakPolarHBondContact CD-CD2 3.47Å; K8-H79 PolarHBondContact N-ND1 3.33Å; K8-H79 WeakPolarHBondContact O-CB 3.45Å; K8-H79 PolarHBondContact O-N 3.44Å; G77-H79 PolarHBondContact O-CE1 2.67Å; G77-H79 PolarHBondContact O-ND1 2.95Å; H79-P113 WeakPolarHBondContact O-CD 3.26Å; H79-I167 HydrophobicContact CB-CD1 4.02Å; H79-I167 HydrophobicContact CB-CG1 4.38Å; H79-I167 HydrophobicContact CB-CG2 4.28Å; H79-I167 WeakPolarHBondContact O-CG1 3.31Å
80	G	97.8	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	164.2	176.3	0	0	0	0	0	113	K8 V9 V10 V78 P113	K8-G80 PolarHBondContact O-N 2.88Å; V9-G80 VanDerWaalsContact CA-O 3.26Å; V9-G80 WeakPolarHBondContact CA-O 3.37Å; V10-G80 PolarHBondContact N-O 2.83Å; V10-G80 VanDerWaalsContact N-O 3.16Å; V78-G80 VanDerWaalsContact CG1-O 3.26Å; V78-G80 WeakPolarHBondContact CG1-O 3.43Å; G80-P113 CarbonylContact C-O 3.59Å; G80-P113 WeakPolarHBondContact CA-O 3.2Å
81	Y	98.6	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.9	-178.4	-64.3	-82.1	0	0	0	112.1	V10 L12 F74 V78 L103 H107 V112 P113 V114 V115	V10-Y81 HydrophobicContact CB-CD1 3.97Å; V10-Y81 HydrophobicContact CB-CE1 4Å; V10-Y81 HydrophobicContact CG2-CE1 4.42Å; V10-Y81 WeakPolarHBondContact O-CA 3.48Å; L12-Y81 HydrophobicContact CD1-CD1 4.14Å; L12-Y81 HydrophobicContact CD1-CE1 4.29Å; F74-Y81 WeakPolarHBondContact O-CE1 3.35Å; F74-Y81 VanDerWaalsContact O-CZ 3.29Å; F74-Y81 PolarHBondContact O-OH 2.92Å; V78-Y81 HydrophobicContact CB-CE1 4.3Å; V78-Y81 HydrophobicContact CB-CE2 4.46Å; V78-Y81 WeakPolarHBondContact CB-OH 3.22Å; V78-Y81 HydrophobicContact CG1-CD1 4.17Å; V78-Y81 HydrophobicContact CG1-CD2 4.41Å; V78-Y81 HydrophobicContact CG1-CE1 3.64Å; V78-Y81 HydrophobicContact CG1-CE2 3.92Å; V78-Y81 VanDerWaalsContact CG1-CZ 3.47Å; V78-Y81 HydrophobicContact CG2-CE1 4.49Å; Y81-L103 HydrophobicContact CD1-CD1 3.95Å; Y81-L103 HydrophobicContact CD1-CD2 4.19Å; Y81-L103 HydrophobicContact CD2-CD1 4.48Å; Y81-L103 HydrophobicContact CE1-CD1 4.18Å; Y81-L103 HydrophobicContact CE1-CD2 3.56Å; Y81-L103 HydrophobicContact CE2-CD2 4.34Å; Y81-L103 HydrophobicContact CG-CD1 4.12Å; Y81-H107 AromaticContact CE2-NE2 3.6Å; Y81-H107 AromaticContact CZ-NE2 3.61Å; Y81-H107 PolarHBondContact OH-NE2 3.33Å; Y81-V112 HydrophobicContact CD2-CB 4.2Å; Y81-V112 HydrophobicContact CD2-CG1 3.66Å; Y81-V112 HydrophobicContact CE2-CB 4Å; Y81-V112 HydrophobicContact CE2-CG1 3.52Å; Y81-V112 HydrophobicContact CE2-CG2 4.43Å; Y81-P113 PolarHBondContact N-O 2.96Å; Y81-V114 HydrophobicContact CD2-CG2 4.4Å; Y81-V114 WeakPolarHBondContact O-CA 3.26Å; Y81-V115 PolarHBondContact O-N 3.5Å
82	V	98.8	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.7	164.4	-179.1	0	0	0	0	107.1	V9 V10 I11 L12 V84 V115 V117 I159 F160 V163	V9-V82 HydrophobicContact CG1-CG2 3.91Å; V10-V82 PolarHBondContact O-N 2.96Å; I11-V82 CarbonylContact C-O 3.54Å; I11-V82 WeakPolarHBondContact CA-O 3.05Å; I11-V82 HydrophobicContact CG1-CB 4.34Å; I11-V82 HydrophobicContact CG2-CB 4.38Å; I11-V82 HydrophobicContact CG2-CG1 4.42Å; L12-V82 PolarHBondContact N-O 3.07Å; V82-V84 HydrophobicContact CG1-CG2 3.84Å; V82-V115 WeakPolarHBondContact CA-O 3.46Å; V82-V117 HydrophobicContact CG1-CG2 3.69Å; V82-I159 HydrophobicContact CG1-CG2 3.67Å; V82-I159 HydrophobicContact CG2-CG2 4.05Å; V82-F160 HydrophobicContact CG2-CD1 4.37Å; V82-F160 HydrophobicContact CG2-CE1 4.19Å; V82-V163 HydrophobicContact CG2-CB 4.35Å; V82-V163 HydrophobicContact CG2-CG1 4.24Å; V82-V163 HydrophobicContact CG2-CG2 4.47Å
83	L	98.8	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.6	179.1	-62.9	-168.5	0	0	0	108.8	L12 I96 Y100 L103 V114 V115 L116 V117 W141	L12-L83 HydrophobicContact CB-CD2 3.74Å; L12-L83 HydrophobicContact CD1-CD2 4.39Å; L12-L83 CarbonylContact O-C 3.6Å; L12-L83 WeakPolarHBondContact O-CA 3.14Å; L83-I96 HydrophobicContact CB-CD1 3.84Å; L83-I96 HydrophobicContact CB-CG1 3.82Å; L83-Y100 HydrophobicContact CD1-CD2 3.87Å; L83-Y100 HydrophobicContact CD1-CG 4.39Å; L83-L103 HydrophobicContact CD1-CD1 4.42Å; L83-L103 HydrophobicContact CD2-CD1 3.78Å; L83-V114 HydrophobicContact CD1-CG1 3.78Å; L83-V114 HydrophobicContact CG-CG1 3.87Å; L83-V115 PolarHBondContact N-O 2.75Å; L83-L116 HydrophobicContact CB-CD1 4.15Å; L83-L116 CarbonylContact O-C 3.59Å; L83-L116 WeakPolarHBondContact O-CA 3.46Å; L83-V117 PolarHBondContact O-N 2.85Å; L83-W141 HydrophobicContact CD1-CZ3 4.02Å
84	V	98.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.3	-170.6	-169.2	0	0	0	0	110.4	I11 L12 G13 V17 K19 L22 V82 V117 N119	I11-V84 HydrophobicContact CG2-CG2 3.68Å; L12-V84 PolarHBondContact O-N 2.87Å; G13-V84 WeakPolarHBondContact CA-O 3.36Å; V17-V84 HydrophobicContact CB-CG1 4.24Å; V17-V84 HydrophobicContact CG2-CB 3.96Å; V17-V84 HydrophobicContact CG2-CG1 3.78Å; K19-V84 HydrophobicContact CG-CB 4.21Å; K19-V84 HydrophobicContact CG-CG2 4.34Å; L22-V84 HydrophobicContact CD1-CG1 3.93Å; L22-V84 HydrophobicContact CD1-CG2 4.16Å; V82-V84 HydrophobicContact CG1-CG2 3.84Å; V84-V117 WeakPolarHBondContact CA-O 3.46Å; V84-V117 HydrophobicContact CG2-CB 4.36Å; V84-N119 HydrophobicContact CG1-CB 3.81Å
85	Y	98.9	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	166.6	164.2	74	-84.2	0	0	0	109.8	V87 F93 I96 L116 V117 G118 N119 V129 F145	Y85-V87 HydrophobicContact CE2-CG1 4.23Å; Y85-F93 AromaticContact CD1-CD2 3.86Å; Y85-F93 HydrophobicContact CD1-CD2 3.86Å; Y85-F93 HydrophobicContact CD1-CE2 4.43Å; Y85-F93 HydrophobicContact CD2-CB 3.85Å; Y85-F93 AromaticContact CD2-CD2 3.65Å; Y85-F93 HydrophobicContact CD2-CD2 3.65Å; Y85-F93 HydrophobicContact CD2-CG 4.19Å; Y85-F93 AromaticContact CE1-CD2 3.77Å; Y85-F93 HydrophobicContact CE1-CD2 3.77Å; Y85-F93 AromaticContact CE1-CE2 3.98Å; Y85-F93 HydrophobicContact CE1-CE2 3.98Å; Y85-F93 HydrophobicContact CE2-CB 4.35Å; Y85-F93 AromaticContact CE2-CD2 3.58Å; Y85-F93 HydrophobicContact CE2-CD2 3.58Å; Y85-F93 HydrophobicContact CE2-CE2 4.25Å; Y85-F93 HydrophobicContact CE2-CG 4.29Å; Y85-F93 HydrophobicContact CG-CB 4.28Å; Y85-F93 AromaticContact CG-CD2 3.8Å; Y85-F93 HydrophobicContact CG-CD2 3.8Å; Y85-F93 AromaticContact CZ-CD2 3.63Å; Y85-F93 AromaticContact CZ-CE2 3.88Å; Y85-I96 HydrophobicContact CD1-CG2 4.43Å; Y85-L116 HydrophobicContact CD1-CD1 3.76Å; Y85-L116 HydrophobicContact CD1-CG 4.36Å; Y85-L116 HydrophobicContact CE1-CD1 3.99Å; Y85-L116 HydrophobicContact CE1-CD2 4.4Å; Y85-L116 HydrophobicContact CE1-CG 4.09Å; Y85-V117 VanDerWaalsContact CD1-O 3.24Å; Y85-V117 WeakPolarHBondContact CD1-O 3.34Å; Y85-V117 PolarHBondContact N-O 2.93Å; Y85-G118 VanDerWaalsContact CE1-CA 3.41Å; Y85-G118 VanDerWaalsContact CZ-CA 3.42Å; Y85-N119 WeakPolarHBondContact O-CB 3.21Å; Y85-N119 PolarHBondContact O-N 3.16Å; Y85-V129 HydrophobicContact CE2-CB 4.02Å; Y85-V129 HydrophobicContact CE2-CG1 3.8Å; Y85-V129 HydrophobicContact CE2-CG2 4.38Å; Y85-F145 HydrophobicContact CE1-CE2 4.22Å; Y85-F145 WeakPolarHBondContact OH-CE2 3.25Å
86	S	98.8	Very high	97.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.9	172.5	-166.8	0	0	0	0	109.3	T88 S89 S92 K120	S86-T88 PolarHBondContact O-N 3.3Å; S86-T88 VanDerWaalsContact O-N 3.09Å; S86-T88 PolarHBondContact OG-OG1 3.47Å; S86-S89 PolarHBondContact O-N 3.43Å; S86-S92 PolarHBondContact N-OG 3.12Å; S86-S92 PolarHBondContact O-OG 3.19Å; S86-K120 WeakPolarHBondContact OG-CD 3.46Å
87	V	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.3	174.2	-56.3	0	0	0	0	112.5	Y85 S89 N119 K120 E128 V129	Y85-V87 HydrophobicContact CE2-CG1 4.23Å; V87-S89 VanDerWaalsContact C-N 3.35Å; V87-N119 PolarHBondContact N-O 3.13Å; V87-K120 WeakPolarHBondContact CG2-O 3.32Å; V87-E128 PolarHBondContact O-N 3.44Å; V87-V129 PolarHBondContact O-N 2.87Å
88	T	98.7	Very high	98.4	Very high	21 Å²	21	23.2 Å²	23.2	13%	0.129	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.5	176.3	69.7	0	0	0	0	113.9	S86 L123 E126	S86-T88 PolarHBondContact O-N 3.3Å; S86-T88 VanDerWaalsContact O-N 3.09Å; S86-T88 PolarHBondContact OG-OG1 3.47Å; T88-L123 HydrophobicContact CG2-CB 3.68Å; T88-L123 HydrophobicContact CG2-CD1 4.2Å; T88-E126 VanDerWaalsContact CA-O 3.23Å; T88-E126 WeakPolarHBondContact CA-O 3.44Å; T88-E126 WeakPolarHBondContact CB-O 3.49Å; T88-E126 HydrophobicContact CG2-CB 3.67Å
89	S	98.6	Very high	98.5	Very high	31 Å²	31	22.6 Å²	22.6	22%	0.217	12%	0.116	C	C	.	.			trans	-147.6	100.7	178.6	179.1	0	0	0	0	110.8	S86 V87 H91 S92 F93 E128	S86-S89 PolarHBondContact O-N 3.43Å; V87-S89 VanDerWaalsContact C-N 3.35Å; S89-H91 PolarHBondContact O-N 3.47Å; S89-S92 WeakPolarHBondContact CB-OG 3.3Å; S89-S92 PolarHBondContact O-N 3.24Å; S89-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.39Å; S89-S92 PolarHBondContact OG-N 3.41Å; S89-F93 PolarHBondContact O-N 2.88Å; S89-E128 WeakPolarHBondContact CA-OE2 3.4Å
90	L	98.6	Very high	98.5	Very high	72 Å²	72	21.7 Å²	21.7	38%	0.377	11%	0.111	S	C	.	.	H	α-helix	trans	-57.2	-36.6	172.8	178.5	61.8	0	0	0	111.5	S92 F93 Q94 E128 V129	L90-S92 VanDerWaalsContact C-N 3.35Å; L90-S92 PolarHBondContact O-N 3.39Å; L90-F93 HydrophobicContact CD1-CD1 4.31Å; L90-F93 WeakPolarHBondContact O-CB 3.48Å; L90-F93 PolarHBondContact O-N 2.98Å; L90-F93 VanDerWaalsContact O-N 3.13Å; L90-Q94 WeakPolarHBondContact O-CG 3.34Å; L90-Q94 PolarHBondContact O-N 2.84Å; L90-E128 HydrophobicContact CB-CB 4.28Å; L90-E128 PolarHBondContact N-OE2 2.88Å; L90-V129 HydrophobicContact CB-CG2 4.35Å; L90-V129 HydrophobicContact CD1-CG2 4.12Å
91	H	98.6	Very high	98.4	Very high	67 Å²	67	27 Å²	27	31%	0.31	14%	0.136	S	C	.	.	H	α-helix	trans	-60.8	-42.8	175.4	-179.7	56.1	0	0	0	112	Y14 E66 S89 F93 Q94 V95	Y14-H91 AromaticContact CE1-CD2 3.8Å; Y14-H91 AromaticContact CE2-NE2 3.72Å; Y14-H91 AromaticContact CZ-CD2 3.56Å; Y14-H91 AromaticContact CZ-NE2 3.5Å; Y14-H91 PolarHBondContact OH-CD2 3Å; Y14-H91 PolarHBondContact OH-NE2 3.45Å; E66-H91 IonicContact OE2-CE1 2.69Å; S89-H91 PolarHBondContact O-N 3.47Å; H91-F93 PolarHBondContact O-N 3.11Å; H91-Q94 PolarHBondContact O-N 3.29Å; H91-V95 WeakPolarHBondContact O-CG2 3.24Å; H91-V95 PolarHBondContact O-N 3.48Å
92	S	98.8	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-30.7	176.3	77.8	0	0	0	0	112.9	S86 S89 L90 I96	S86-S92 PolarHBondContact N-OG 3.12Å; S86-S92 PolarHBondContact O-OG 3.19Å; S89-S92 WeakPolarHBondContact CB-OG 3.3Å; S89-S92 PolarHBondContact O-N 3.24Å; S89-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 PolarHBondContact O-OG 3.39Å; S89-S92 PolarHBondContact OG-N 3.41Å; L90-S92 VanDerWaalsContact C-N 3.35Å; L90-S92 PolarHBondContact O-N 3.39Å; S92-I96 PolarHBondContact O-N 3.47Å; S92-I96 VanDerWaalsContact O-N 3.16Å
93	F	98.8	Very high	98.1	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-70.4	-43.3	174.5	-175.5	-112.7	0	0	0	111.4	Y85 S89 L90 H91 V95 I96 V129 E133 L137	Y85-F93 AromaticContact CD1-CD2 3.86Å; Y85-F93 HydrophobicContact CD1-CD2 3.86Å; Y85-F93 HydrophobicContact CD1-CE2 4.43Å; Y85-F93 HydrophobicContact CD2-CB 3.85Å; Y85-F93 AromaticContact CD2-CD2 3.65Å; Y85-F93 HydrophobicContact CD2-CD2 3.65Å; Y85-F93 HydrophobicContact CD2-CG 4.19Å; Y85-F93 AromaticContact CE1-CD2 3.77Å; Y85-F93 HydrophobicContact CE1-CD2 3.77Å; Y85-F93 AromaticContact CE1-CE2 3.98Å; Y85-F93 HydrophobicContact CE1-CE2 3.98Å; Y85-F93 HydrophobicContact CE2-CB 4.35Å; Y85-F93 AromaticContact CE2-CD2 3.58Å; Y85-F93 HydrophobicContact CE2-CD2 3.58Å; Y85-F93 HydrophobicContact CE2-CE2 4.25Å; Y85-F93 HydrophobicContact CE2-CG 4.29Å; Y85-F93 HydrophobicContact CG-CB 4.28Å; Y85-F93 AromaticContact CG-CD2 3.8Å; Y85-F93 HydrophobicContact CG-CD2 3.8Å; Y85-F93 AromaticContact CZ-CD2 3.63Å; Y85-F93 AromaticContact CZ-CE2 3.88Å; S89-F93 PolarHBondContact O-N 2.88Å; L90-F93 HydrophobicContact CD1-CD1 4.31Å; L90-F93 WeakPolarHBondContact O-CB 3.48Å; L90-F93 PolarHBondContact O-N 2.98Å; L90-F93 VanDerWaalsContact O-N 3.13Å; H91-F93 PolarHBondContact O-N 3.11Å; F93-V95 PolarHBondContact O-N 3.12Å; F93-I96 HydrophobicContact CD2-CG2 4.35Å; F93-I96 WeakPolarHBondContact O-CG2 3.4Å; F93-I96 PolarHBondContact O-N 2.99Å; F93-V129 HydrophobicContact CB-CG2 3.88Å; F93-V129 HydrophobicContact CD1-CG1 4.12Å; F93-V129 HydrophobicContact CD1-CG2 4.46Å; F93-V129 HydrophobicContact CD2-CG1 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.29Å; F93-V129 HydrophobicContact CE2-CG1 4.22Å; F93-V129 HydrophobicContact CG-CG1 4Å; F93-V129 HydrophobicContact CG-CG2 4.17Å; F93-V129 HydrophobicContact CZ-CG1 4.32Å; F93-E133 HydrophobicContact CE1-CB 4.43Å; F93-E133 HydrophobicContact CZ-CB 4.27Å; F93-L137 HydrophobicContact CD2-CD2 4.25Å; F93-L137 HydrophobicContact CE1-CD2 4.27Å; F93-L137 HydrophobicContact CE2-CB 4.39Å; F93-L137 HydrophobicContact CE2-CD2 3.44Å; F93-L137 VanDerWaalsContact CE2-CD2 3.44Å; F93-L137 HydrophobicContact CZ-CB 4Å; F93-L137 HydrophobicContact CZ-CD2 3.46Å; F93-L137 VanDerWaalsContact CZ-CD2 3.46Å; F93-L137 HydrophobicContact CZ-CG 4.34Å
94	Q	98.5	Very high	97.8	Very high	98 Å²	98	34.6 Å²	34.6	46%	0.458	17%	0.171	S	C	.	.	H	α-helix	trans	-62.3	-42.8	174.6	-68.1	168.1	-20.7	0	0	112.1	L90 H91 I96 E97	L90-Q94 WeakPolarHBondContact O-CG 3.34Å; L90-Q94 PolarHBondContact O-N 2.84Å; H91-Q94 PolarHBondContact O-N 3.29Å; Q94-I96 VanDerWaalsContact C-N 3.29Å; Q94-I96 PolarHBondContact O-N 3.28Å; Q94-E97 WeakPolarHBondContact O-CB 3.43Å; Q94-E97 PolarHBondContact O-N 2.92Å
95	V	98.5	Very high	97.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-37	177.4	171.1	0	0	0	0	111.3	Y14 Q64 H91 F93 E97 S98 L99	Y14-V95 HydrophobicContact CD2-CB 4.37Å; Y14-V95 HydrophobicContact CD2-CG1 4.07Å; Y14-V95 HydrophobicContact CD2-CG2 4.05Å; Y14-V95 HydrophobicContact CE2-CG2 4.38Å; Q64-V95 WeakPolarHBondContact O-CG1 3.42Å; H91-V95 WeakPolarHBondContact O-CG2 3.24Å; H91-V95 PolarHBondContact O-N 3.48Å; F93-V95 PolarHBondContact O-N 3.12Å; V95-E97 PolarHBondContact O-N 2.91Å; V95-S98 PolarHBondContact O-N 2.78Å; V95-S98 VanDerWaalsContact O-N 3.15Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 HydrophobicContact CG1-CG 4.08Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.86Å
96	I	98.6	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-29.1	-178.5	-150	61.2	0	0	0	112.3	L83 Y85 S92 F93 Q94 L99 Y100 L116 L137 W141	L83-I96 HydrophobicContact CB-CD1 3.84Å; L83-I96 HydrophobicContact CB-CG1 3.82Å; Y85-I96 HydrophobicContact CD1-CG2 4.43Å; S92-I96 PolarHBondContact O-N 3.47Å; S92-I96 VanDerWaalsContact O-N 3.16Å; F93-I96 HydrophobicContact CD2-CG2 4.35Å; F93-I96 WeakPolarHBondContact O-CG2 3.4Å; F93-I96 PolarHBondContact O-N 2.99Å; Q94-I96 VanDerWaalsContact C-N 3.29Å; Q94-I96 PolarHBondContact O-N 3.28Å; I96-L99 HydrophobicContact CD1-CD1 4.09Å; I96-L99 PolarHBondContact O-N 3.34Å; I96-Y100 WeakPolarHBondContact O-CB 3.39Å; I96-Y100 PolarHBondContact O-N 3.18Å; I96-L116 HydrophobicContact CG1-CD1 4.03Å; I96-L116 HydrophobicContact CG2-CD1 3.99Å; I96-L137 HydrophobicContact CG2-CD2 4.31Å; I96-W141 HydrophobicContact CG2-CH2 4.14Å
97	E	98.2	Very high	96.8	Very high	70 Å²	70	45 Å²	45	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-65.8	-46.9	173.9	-59.4	-174.4	-119.1	0	0	111.2	Q94 V95 L99 Y100 Q101 L137 W141	Q94-E97 WeakPolarHBondContact O-CB 3.43Å; Q94-E97 PolarHBondContact O-N 2.92Å; V95-E97 PolarHBondContact O-N 2.91Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 2.87Å; E97-Y100 PolarHBondContact O-N 3.32Å; E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 2.85Å; E97-L137 HydrophobicContact CG-CD1 3.95Å; E97-L137 HydrophobicContact CG-CD2 3.66Å; E97-L137 HydrophobicContact CG-CG 4.44Å; E97-W141 HydrophobicContact CB-CZ2 4.36Å; E97-W141 HydrophobicContact CG-CZ2 4.12Å
98	S	97.8	Very high	96.3	Very high	35 Å²	35	46.8 Å²	46.8	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-38.8	176.2	-54	0	0	0	0	112.1	V95 Q101 K102	V95-S98 PolarHBondContact O-N 2.78Å; V95-S98 VanDerWaalsContact O-N 3.15Å; S98-Q101 PolarHBondContact O-N 3.08Å; S98-K102 WeakPolarHBondContact O-CG 3.14Å; S98-K102 PolarHBondContact O-N 3.46Å; S98-K102 VanDerWaalsContact O-N 3.15Å
99	L	97.9	Very high	95.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-40.1	176.4	-64.5	177.8	0	0	0	111.8	Q64 L70 V95 I96 E97 K102 L103	Q64-L99 HydrophobicContact CB-CD1 4.03Å; Q64-L99 HydrophobicContact CB-CD2 3.68Å; L70-L99 HydrophobicContact CD2-CD2 4.21Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 HydrophobicContact CG1-CG 4.08Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.86Å; I96-L99 HydrophobicContact CD1-CD1 4.09Å; I96-L99 PolarHBondContact O-N 3.34Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 2.87Å; L99-K102 PolarHBondContact O-N 2.83Å; L99-L103 WeakPolarHBondContact O-CG 3.17Å; L99-L103 PolarHBondContact O-N 3.48Å
100	Y	97.3	Very high	94.8	Very high	38 Å²	38	58.4 Å²	58.4	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-44.2	174.2	175.8	-93.9	0	0	0	111.7	L83 I96 E97 K102 L103 H104 V114 W141	L83-Y100 HydrophobicContact CD1-CD2 3.87Å; L83-Y100 HydrophobicContact CD1-CG 4.39Å; I96-Y100 WeakPolarHBondContact O-CB 3.39Å; I96-Y100 PolarHBondContact O-N 3.18Å; E97-Y100 PolarHBondContact O-N 3.32Å; Y100-K102 PolarHBondContact O-N 3.38Å; Y100-L103 WeakPolarHBondContact O-CB 3.45Å; Y100-L103 PolarHBondContact O-N 2.98Å; Y100-H104 HydrophobicContact CE1-CB 4.41Å; Y100-H104 WeakPolarHBondContact O-CB 3.4Å; Y100-H104 PolarHBondContact O-N 3.44Å; Y100-V114 HydrophobicContact CE2-CG2 4.27Å; Y100-W141 AromaticContact CD1-CD1 3.75Å; Y100-W141 AromaticContact CD1-CD2 3.73Å; Y100-W141 HydrophobicContact CD1-CD2 3.73Å; Y100-W141 AromaticContact CD1-CE2 3.55Å; Y100-W141 HydrophobicContact CD1-CE3 4.39Å; Y100-W141 AromaticContact CD1-CG 3.86Å; Y100-W141 HydrophobicContact CD1-CG 3.86Å; Y100-W141 HydrophobicContact CD1-CZ2 4.07Å; Y100-W141 AromaticContact CD1-NE1 3.59Å; Y100-W141 AromaticContact CD2-CD2 3.72Å; Y100-W141 HydrophobicContact CD2-CD2 3.72Å; Y100-W141 AromaticContact CD2-CE3 3.6Å; Y100-W141 HydrophobicContact CD2-CE3 3.6Å; Y100-W141 HydrophobicContact CD2-CG 4.14Å; Y100-W141 HydrophobicContact CD2-CZ3 4.01Å; Y100-W141 HydrophobicContact CE1-CB 4.03Å; Y100-W141 AromaticContact CE1-CD1 3.42Å; Y100-W141 VanDerWaalsContact CE1-CD1 3.42Å; Y100-W141 AromaticContact CE1-CD2 3.89Å; Y100-W141 HydrophobicContact CE1-CD2 3.89Å; Y100-W141 AromaticContact CE1-CG 3.51Å; Y100-W141 HydrophobicContact CE1-CG 3.51Å; Y100-W141 AromaticContact CE1-NE1 3.77Å; Y100-W141 HydrophobicContact CE2-CB 3.78Å; Y100-W141 AromaticContact CE2-CD2 3.86Å; Y100-W141 HydrophobicContact CE2-CD2 3.86Å; Y100-W141 AromaticContact CE2-CE3 3.96Å; Y100-W141 HydrophobicContact CE2-CE3 3.96Å; Y100-W141 AromaticContact CE2-CG 3.8Å; Y100-W141 HydrophobicContact CE2-CG 3.8Å; Y100-W141 AromaticContact CG-CD2 3.64Å; Y100-W141 HydrophobicContact CG-CD2 3.64Å; Y100-W141 AromaticContact CG-CE2 3.67Å; Y100-W141 AromaticContact CG-CE3 3.83Å; Y100-W141 HydrophobicContact CG-CE3 3.83Å; Y100-W141 HydrophobicContact CG-CG 4.17Å; Y100-W141 HydrophobicContact CG-CH2 4.06Å; Y100-W141 AromaticContact CG-CZ2 3.89Å; Y100-W141 HydrophobicContact CG-CZ2 3.89Å; Y100-W141 HydrophobicContact CG-CZ3 4.03Å; Y100-W141 VanDerWaalsContact CZ-CB 3.49Å; Y100-W141 AromaticContact CZ-CD1 3.85Å; Y100-W141 AromaticContact CZ-CD2 3.95Å; Y100-W141 AromaticContact CZ-CG 3.46Å; Y100-W141 VanDerWaalsContact CZ-CG 3.46Å; Y100-W141 WeakPolarHBondContact OH-CB 3.48Å; Y100-W141 PolarHBondContact OH-O 2.81Å
101	Q	95.8	Very high	94.1	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-47.7	177.8	-73.3	175.2	-9.5	0	0	111.8	E97 S98 L103 H104 E105	E97-Q101 WeakPolarHBondContact O-CG 3.49Å; E97-Q101 PolarHBondContact O-N 2.85Å; S98-Q101 PolarHBondContact O-N 3.08Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.05Å; Q101-H104 WeakPolarHBondContact O-CB 3.35Å; Q101-H104 PolarHBondContact O-N 3.15Å; Q101-H104 VanDerWaalsContact O-N 3.16Å; Q101-E105 WeakPolarHBondContact O-CG 3.44Å; Q101-E105 PolarHBondContact O-N 3.41Å
102	K	95.4	Very high	93.6	Very high	49 Å²	49	60.6 Å²	60.6	21%	0.213	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-40.7	176.6	-67.7	170.4	-172.8	177.1	0	112.6	E66 S68 L70 S98 L99 Y100 G106	E66-K102 VanDerWaalsContact C-NZ 3.28Å; E66-K102 WeakPolarHBondContact O-CE 3.33Å; E66-K102 PolarHBondContact O-NZ 3.12Å; S68-K102 PolarHBondContact O-NZ 3.21Å; L70-K102 HydrophobicContact CD1-CB 3.77Å; L70-K102 HydrophobicContact CG-CB 4.26Å; L70-K102 HydrophobicContact CG-CD 4.47Å; S98-K102 WeakPolarHBondContact O-CG 3.14Å; S98-K102 PolarHBondContact O-N 3.46Å; S98-K102 VanDerWaalsContact O-N 3.15Å; L99-K102 PolarHBondContact O-N 2.83Å; Y100-K102 PolarHBondContact O-N 3.38Å; K102-G106 PolarHBondContact O-N 2.87Å
103	L	95.1	Very high	93.5	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-45.6	174.6	-77.9	174.8	0	0	0	111.6	L12 L70 Y81 L83 L99 Y100 Q101 G106 H107	L12-L103 HydrophobicContact CD1-CD1 3.76Å; L12-L103 HydrophobicContact CD1-CD2 3.91Å; L12-L103 HydrophobicContact CD1-CG 4.14Å; L70-L103 HydrophobicContact CD1-CD2 3.73Å; L70-L103 HydrophobicContact CD1-CG 3.76Å; Y81-L103 HydrophobicContact CD1-CD1 3.95Å; Y81-L103 HydrophobicContact CD1-CD2 4.19Å; Y81-L103 HydrophobicContact CD2-CD1 4.48Å; Y81-L103 HydrophobicContact CE1-CD1 4.18Å; Y81-L103 HydrophobicContact CE1-CD2 3.56Å; Y81-L103 HydrophobicContact CE2-CD2 4.34Å; Y81-L103 HydrophobicContact CG-CD1 4.12Å; L83-L103 HydrophobicContact CD1-CD1 4.42Å; L83-L103 HydrophobicContact CD2-CD1 3.78Å; L99-L103 WeakPolarHBondContact O-CG 3.17Å; L99-L103 PolarHBondContact O-N 3.48Å; Y100-L103 WeakPolarHBondContact O-CB 3.45Å; Y100-L103 PolarHBondContact O-N 2.98Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.05Å; L103-G106 PolarHBondContact O-N 3.11Å; L103-H107 PolarHBondContact O-CD2 2.98Å; L103-H107 PolarHBondContact O-N 3.33Å; L103-H107 VanDerWaalsContact O-N 3.08Å
104	H	92.9	Very high	93.5	Very high	106 Å²	106	61.1 Å²	61.1	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-45.6	179.9	-172.8	66	0	0	0	111.3	Y100 Q101 G106 H107 G108	Y100-H104 HydrophobicContact CE1-CB 4.41Å; Y100-H104 WeakPolarHBondContact O-CB 3.4Å; Y100-H104 PolarHBondContact O-N 3.44Å; Q101-H104 WeakPolarHBondContact O-CB 3.35Å; Q101-H104 PolarHBondContact O-N 3.15Å; Q101-H104 VanDerWaalsContact O-N 3.16Å; H104-G106 PolarHBondContact O-N 3.06Å; H104-H107 PolarHBondContact O-N 3.38Å; H104-G108 PolarHBondContact O-N 2.59Å
105	E	93	Very high	93.5	Very high	146 Å²	146	56.5 Å²	56.5	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-59.4	-44.5	174	-71.5	170.2	-175.6	0	0	112	Q101 H107 G108	Q101-E105 WeakPolarHBondContact O-CG 3.44Å; Q101-E105 PolarHBondContact O-N 3.41Å; E105-H107 VanDerWaalsContact C-N 3.31Å; E105-H107 PolarHBondContact O-N 2.93Å; E105-G108 PolarHBondContact O-N 3.13Å
106	G	91.9	Very high	93.5	Very high	39 Å²	39	56.4 Å²	56.4	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-31.2	179.3	0	0	0	0	0	114.6	K102 L103 H104	K102-G106 PolarHBondContact O-N 2.87Å; L103-G106 PolarHBondContact O-N 3.11Å; H104-G106 PolarHBondContact O-N 3.06Å
107	H	90.9	Very high	93.5	Very high	36 Å²	36	56.4 Å²	56.4	17%	0.167	29%	0.285	C	S	.	.	H	α-helix	trans	-91.5	-13.5	177.4	-81.1	-74.3	0	0	0	114.2	I75 Y81 L103 H104 E105 K109 T110 V112	I75-H107 PolarHBondContact O-CE1 2.78Å; I75-H107 PolarHBondContact O-NE2 3.37Å; Y81-H107 AromaticContact CE2-NE2 3.6Å; Y81-H107 AromaticContact CZ-NE2 3.61Å; Y81-H107 PolarHBondContact OH-NE2 3.33Å; L103-H107 PolarHBondContact O-CD2 2.98Å; L103-H107 PolarHBondContact O-N 3.33Å; L103-H107 VanDerWaalsContact O-N 3.08Å; H104-H107 PolarHBondContact O-N 3.38Å; E105-H107 VanDerWaalsContact C-N 3.31Å; E105-H107 PolarHBondContact O-N 2.93Å; H107-K109 PolarHBondContact O-N 3.2Å; H107-T110 WeakPolarHBondContact O-CB 3.34Å; H107-T110 PolarHBondContact O-N 2.95Å; H107-T110 VanDerWaalsContact O-N 3.16Å; H107-T110 PolarHBondContact O-OG1 2.93Å; H107-V112 HydrophobicContact CB-CG2 4.27Å; H107-V112 WeakPolarHBondContact ND1-CG2 3.43Å
108	G	89.4	Confident	93.5	Very high	38 Å²	38	53 Å²	53	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-122.1	-175.6	0	0	0	0	0	111.9	H104 E105 T110	H104-G108 PolarHBondContact O-N 2.59Å; E105-G108 PolarHBondContact O-N 3.13Å; G108-T110 VanDerWaalsContact C-N 3.28Å; G108-T110 PolarHBondContact O-N 3.33Å
109	K	82.8	Confident	93.6	Very high	215 Å²	215	51.5 Å²	51.5	94%	0.935	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6	-177.8	-62.7	-175	-178.8	-179.7	0	114	H107 R111	H107-K109 PolarHBondContact O-N 3.2Å; K109-R111 PolarHBondContact O-N 2.93Å
110	T	83.3	Confident	93.6	Very high	81 Å²	81	54.4 Å²	54.4	50%	0.497	27%	0.271	S	S	.	.			trans	-77.6	118.9	-177.4	-52.2	0	0	0	0	109.4	H107 G108 V112	H107-T110 WeakPolarHBondContact O-CB 3.34Å; H107-T110 PolarHBondContact O-N 2.95Å; H107-T110 VanDerWaalsContact O-N 3.16Å; H107-T110 PolarHBondContact O-OG1 2.93Å; G108-T110 VanDerWaalsContact C-N 3.28Å; G108-T110 PolarHBondContact O-N 3.33Å; T110-V112 HydrophobicContact CG2-CG2 4.5Å; T110-V112 PolarHBondContact O-N 3.26Å
111	R	82.9	Confident	93.6	Very high	161 Å²	161	53.8 Å²	53.8	61%	0.608	27%	0.273	S	S	*	.			trans	-78	119.9	174.5	-173	176.7	-177.8	178.6	1.2	109.3	K109 G142	K109-R111 PolarHBondContact O-N 2.93Å; R111-G142 PolarHBondContact NH2-O 2.87Å
112	V	88.1	Confident	93.6	Very high	24 Å²	24	51.3 Å²	51.3	15%	0.145	26%	0.264	C	S	.	.			trans	-107.6	135.6	174.3	-167.8	0	0	0	0	109.8	Y81 H107 T110 V114	Y81-V112 HydrophobicContact CD2-CB 4.2Å; Y81-V112 HydrophobicContact CD2-CG1 3.66Å; Y81-V112 HydrophobicContact CE2-CB 4Å; Y81-V112 HydrophobicContact CE2-CG1 3.52Å; Y81-V112 HydrophobicContact CE2-CG2 4.43Å; H107-V112 HydrophobicContact CB-CG2 4.27Å; H107-V112 WeakPolarHBondContact ND1-CG2 3.43Å; T110-V112 HydrophobicContact CG2-CG2 4.5Å; T110-V112 PolarHBondContact O-N 3.26Å; V112-V114 PolarHBondContact O-N 3.01Å
113	P	96.5	Very high	93.6	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.078	27%	0.266	C	S	.	.			trans	-52.3	128.7	171.1	-26.9	31.6	0	0	0	112.9	H79 G80 Y81 E166 I167 V170	H79-P113 WeakPolarHBondContact O-CD 3.26Å; G80-P113 CarbonylContact C-O 3.59Å; G80-P113 WeakPolarHBondContact CA-O 3.2Å; Y81-P113 PolarHBondContact N-O 2.96Å; P113-E166 HydrophobicContact CB-CB 3.91Å; P113-I167 HydrophobicContact CB-CG1 4Å; P113-I167 HydrophobicContact CG-CB 4.35Å; P113-I167 HydrophobicContact CG-CG1 3.82Å; P113-V170 HydrophobicContact CG-CB 4.22Å; P113-V170 HydrophobicContact CG-CG2 3.96Å
114	V	98.2	Very high	93.4	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.3	176.8	178.5	0	0	0	0	109.6	Y81 L83 Y100 V112 A143 T144	Y81-V114 HydrophobicContact CD2-CG2 4.4Å; Y81-V114 WeakPolarHBondContact O-CA 3.26Å; L83-V114 HydrophobicContact CD1-CG1 3.78Å; L83-V114 HydrophobicContact CG-CG1 3.87Å; Y100-V114 HydrophobicContact CE2-CG2 4.27Å; V112-V114 PolarHBondContact O-N 3.01Å; V114-A143 HydrophobicContact CB-CB 3.91Å; V114-A143 HydrophobicContact CG1-CB 3.99Å; V114-T144 PolarHBondContact O-N 3.46Å
115	V	98.8	Very high	93.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.4	164.4	-176.5	0	0	0	0	108.1	Y81 V82 L83 V117 T144 M146 I159 K162 V163	Y81-V115 PolarHBondContact O-N 3.5Å; V82-V115 WeakPolarHBondContact CA-O 3.46Å; L83-V115 PolarHBondContact N-O 2.75Å; V115-V117 HydrophobicContact CG1-CG2 3.97Å; V115-T144 CarbonylContact C-O 3.6Å; V115-T144 WeakPolarHBondContact CA-O 3.43Å; V115-M146 HydrophobicContact CG1-CG 4.44Å; V115-M146 HydrophobicContact CG1-SD 4.44Å; V115-I159 HydrophobicContact CG1-CG2 4.37Å; V115-K162 HydrophobicContact CG2-CG 4.37Å; V115-V163 HydrophobicContact CG2-CB 3.72Å; V115-V163 HydrophobicContact CG2-CG2 4.17Å
116	L	98.9	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.7	170.2	178.2	61.8	0	0	0	109.2	L83 Y85 I96 L137 A138 W141 T144 F145 M146	L83-L116 HydrophobicContact CB-CD1 4.15Å; L83-L116 CarbonylContact O-C 3.59Å; L83-L116 WeakPolarHBondContact O-CA 3.46Å; Y85-L116 HydrophobicContact CD1-CD1 3.76Å; Y85-L116 HydrophobicContact CD1-CG 4.36Å; Y85-L116 HydrophobicContact CE1-CD1 3.99Å; Y85-L116 HydrophobicContact CE1-CD2 4.4Å; Y85-L116 HydrophobicContact CE1-CG 4.09Å; I96-L116 HydrophobicContact CG1-CD1 4.03Å; I96-L116 HydrophobicContact CG2-CD1 3.99Å; L116-L137 HydrophobicContact CD2-CB 4.24Å; L116-L137 HydrophobicContact CD2-CD2 3.99Å; L116-L137 HydrophobicContact CD2-CG 4.21Å; L116-A138 HydrophobicContact CB-CB 4.17Å; L116-A138 HydrophobicContact CD2-CB 4.07Å; L116-W141 HydrophobicContact CB-CZ3 4.33Å; L116-W141 HydrophobicContact CD1-CH2 4.43Å; L116-W141 HydrophobicContact CD1-CZ3 3.99Å; L116-W141 HydrophobicContact CD2-CE3 4.47Å; L116-W141 HydrophobicContact CD2-CH2 4.38Å; L116-W141 HydrophobicContact CD2-CZ3 3.91Å; L116-W141 HydrophobicContact CG-CZ3 4.29Å; L116-T144 PolarHBondContact N-O 3.23Å; L116-F145 HydrophobicContact CB-CD2 4.46Å; L116-F145 HydrophobicContact CD2-CD2 4.26Å; L116-F145 HydrophobicContact CG-CD2 4.19Å; L116-F145 WeakPolarHBondContact O-CA 3.49Å; L116-M146 PolarHBondContact O-N 3.03Å
117	V	98.9	Very high	94.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116	-173.8	-177.9	0	0	0	0	110.3	L22 V82 L83 V84 Y85 V115 N119 M146 S148 I159	L22-V117 HydrophobicContact CD1-CG1 4.22Å; V82-V117 HydrophobicContact CG1-CG2 3.69Å; L83-V117 PolarHBondContact O-N 2.85Å; V84-V117 WeakPolarHBondContact CA-O 3.46Å; V84-V117 HydrophobicContact CG2-CB 4.36Å; Y85-V117 VanDerWaalsContact CD1-O 3.24Å; Y85-V117 WeakPolarHBondContact CD1-O 3.34Å; Y85-V117 PolarHBondContact N-O 2.93Å; V115-V117 HydrophobicContact CG1-CG2 3.97Å; V117-N119 HydrophobicContact CG1-CB 4.42Å; V117-N119 PolarHBondContact O-N 3.27Å; V117-M146 VanDerWaalsContact CA-O 3.3Å; V117-M146 WeakPolarHBondContact CA-O 3.23Å; V117-S148 WeakPolarHBondContact CG1-OG 3.43Å; V117-I159 HydrophobicContact CG1-CD1 3.75Å; V117-I159 HydrophobicContact CG1-CG1 4.37Å; V117-I159 HydrophobicContact CG2-CD1 4.11Å; V117-I159 HydrophobicContact CG2-CG1 4.08Å; V117-I159 HydrophobicContact CG2-CG2 3.72Å
118	G	98.8	Very high	94.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	95.7	165.2	0	0	0	0	0	110.2	Y85 M146 E147 S148	Y85-G118 VanDerWaalsContact CE1-CA 3.41Å; Y85-G118 VanDerWaalsContact CZ-CA 3.42Å; G118-M146 PolarHBondContact N-O 3.26Å; G118-E147 CarbonylContact O-C 3.56Å; G118-E147 VanDerWaalsContact O-CA 3.24Å; G118-E147 WeakPolarHBondContact O-CA 3.33Å; G118-S148 PolarHBondContact O-N 3.43Å
119	N	98.7	Very high	94.9	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.011	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	166.3	-176.5	-166	32.8	0	0	0	112.5	V17 L22 V84 Y85 V87 V117 S148 A150	V17-N119 PolarHBondContact O-ND2 2.91Å; L22-N119 HydrophobicContact CD1-CB 4.26Å; V84-N119 HydrophobicContact CG1-CB 3.81Å; Y85-N119 WeakPolarHBondContact O-CB 3.21Å; Y85-N119 PolarHBondContact O-N 3.16Å; V87-N119 PolarHBondContact N-O 3.13Å; V117-N119 HydrophobicContact CG1-CB 4.42Å; V117-N119 PolarHBondContact O-N 3.27Å; N119-S148 CarbonylContact C-O 3.56Å; N119-S148 WeakPolarHBondContact CA-O 2.91Å; N119-S148 PolarHBondContact OD1-O 3.33Å; N119-S148 PolarHBondContact OD1-OG 2.93Å; N119-A150 PolarHBondContact OD1-N 2.98Å
120	K	97.9	Very high	95.6	Very high	61 Å²	61	51.3 Å²	51.3	27%	0.265	27%	0.266	S	S	.	.			trans	65.7	33.3	-177.5	-44.5	-166.1	-166.5	179.5	0	113.8	S16 S86 V87 D122 L123 S148	S16-K120 VanDerWaalsContact O-CE 3.25Å; S16-K120 WeakPolarHBondContact O-CE 3.29Å; S16-K120 PolarHBondContact O-NZ 3.16Å; S86-K120 WeakPolarHBondContact OG-CD 3.46Å; V87-K120 WeakPolarHBondContact CG2-O 3.32Å; K120-D122 WeakPolarHBondContact CA-OD1 3.38Å; K120-D122 PolarHBondContact O-N 2.78Å; K120-D122 VanDerWaalsContact O-N 3.17Å; K120-L123 HydrophobicContact CB-CD1 4.11Å; K120-L123 HydrophobicContact CB-CG 4.38Å; K120-L123 HydrophobicContact CD-CD1 4.08Å; K120-L123 PolarHBondContact O-N 3.48Å; K120-S148 PolarHBondContact N-O 3.47Å
121	A	97.8	Very high	96.4	Very high	25 Å²	25	49.2 Å²	49.2	21%	0.207	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.5	178.5	0	0	0	0	0	113.6	L123 E147 S148	A121-L123 PolarHBondContact O-N 3.09Å; A121-E147 HydrophobicContact CB-CB 4.14Å; A121-S148 PolarHBondContact N-O 2.92Å
122	D	96.3	Very high	97.1	Very high	61 Å²	61	45.8 Å²	45.8	33%	0.326	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.1	171.9	56.7	-67.7	0	0	0	113.2	K120 S124 S149 R151	K120-D122 WeakPolarHBondContact CA-OD1 3.38Å; K120-D122 PolarHBondContact O-N 2.78Å; K120-D122 VanDerWaalsContact O-N 3.17Å; D122-S124 PolarHBondContact O-N 3.34Å; D122-S149 WeakPolarHBondContact OD1-CB 3.43Å; D122-S149 PolarHBondContact OD1-OG 3.45Å; D122-R151 WeakPolarHBondContact OD2-CD 3.22Å; D122-R151 IonicContact OD2-NE 3.89Å
123	L	95.2	Very high	97.6	Very high	49 Å²	49	48.5 Å²	48.5	26%	0.257	27%	0.265	S	S	.	.			trans	-85.6	50.1	178.6	-57.2	-178.8	0	0	0	111.7	T88 K120 A121 P125 E126 R127	T88-L123 HydrophobicContact CG2-CB 3.68Å; T88-L123 HydrophobicContact CG2-CD1 4.2Å; K120-L123 HydrophobicContact CB-CD1 4.11Å; K120-L123 HydrophobicContact CB-CG 4.38Å; K120-L123 HydrophobicContact CD-CD1 4.08Å; K120-L123 PolarHBondContact O-N 3.48Å; A121-L123 PolarHBondContact O-N 3.09Å; L123-P125 VanDerWaalsContact C-N 3.31Å; L123-E126 HydrophobicContact CB-CB 4.42Å; L123-E126 PolarHBondContact O-N 2.81Å; L123-R127 PolarHBondContact O-N 2.96Å
124	S	91.1	Very high	97.7	Very high	77 Å²	77	48 Å²	48	54%	0.538	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.3	-176.4	-172.7	0	0	0	0	115.1	D122 E126 R127	D122-S124 PolarHBondContact O-N 3.34Å; S124-E126 PolarHBondContact O-N 2.55Å; S124-R127 VanDerWaalsContact O-CB 3.31Å; S124-R127 WeakPolarHBondContact O-CB 3.38Å; S124-R127 PolarHBondContact O-N 3.37Å
125	P	96.4	Very high	97.7	Very high	130 Å²	130	52.6 Å²	52.6	84%	0.844	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.6	177.3	-23.5	35.8	0	0	0	114.3	L123	L123-P125 VanDerWaalsContact C-N 3.31Å
126	E	96.4	Very high	97.7	Very high	117 Å²	117	59.4 Å²	59.4	55%	0.547	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-98	7.8	-179.7	-63	174.5	-125.5	0	0	111.9	T88 L123 S124 E128	T88-E126 VanDerWaalsContact CA-O 3.23Å; T88-E126 WeakPolarHBondContact CA-O 3.44Å; T88-E126 WeakPolarHBondContact CB-O 3.49Å; T88-E126 HydrophobicContact CG2-CB 3.67Å; L123-E126 HydrophobicContact CB-CB 4.42Å; L123-E126 PolarHBondContact O-N 2.81Å; S124-E126 PolarHBondContact O-N 2.55Å; E126-E128 PolarHBondContact O-N 3.29Å
127	R	98.5	Very high	97.7	Very high	53 Å²	53	60.2 Å²	60.2	20%	0.2	31%	0.314	C	S	.	.			trans	-66.9	123.3	-174.6	179.6	178.5	-73.2	-93.7	9.9	111.5	L123 S124 V129 E147	L123-R127 PolarHBondContact O-N 2.96Å; S124-R127 VanDerWaalsContact O-CB 3.31Å; S124-R127 WeakPolarHBondContact O-CB 3.38Å; S124-R127 PolarHBondContact O-N 3.37Å; R127-V129 WeakPolarHBondContact CD-O 3.27Å; R127-V129 VanDerWaalsContact CG-O 3.27Å; R127-V129 WeakPolarHBondContact CG-O 3.48Å; R127-V129 PolarHBondContact NH1-O 3.32Å; R127-E147 IonicContact CZ-OE1 2.92Å; R127-E147 IonicContact CZ-OE2 2.85Å; R127-E147 IonicContact NH1-OE1 2.93Å; R127-E147 PolarHBondContact NH1-OE1 2.91Å; R127-E147 IonicContact NH1-OE2 2.86Å; R127-E147 IonicContact NH2-OE1 3.55Å; R127-E147 PolarHBondContact NH2-OE1 3.42Å; R127-E147 IonicContact NH2-OE2 3.72Å; R127-E147 PolarHBondContact NH2-OE2 3.24Å
128	E	98.6	Very high	97.7	Very high	110 Å²	110	60.3 Å²	60.3	51%	0.514	32%	0.315	S	S	.	.			trans	-106.8	-25.4	173.8	-62.9	-176.9	179.7	0	0	112.3	V87 S89 L90 E126	V87-E128 PolarHBondContact O-N 3.44Å; S89-E128 WeakPolarHBondContact CA-OE2 3.4Å; L90-E128 HydrophobicContact CB-CB 4.28Å; L90-E128 PolarHBondContact N-OE2 2.88Å; E126-E128 PolarHBondContact O-N 3.29Å
129	V	98.6	Very high	97.7	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-117.3	125.7	-176.9	-173.9	0	0	0	0	110.4	Y85 V87 L90 F93 R127 E133	Y85-V129 HydrophobicContact CE2-CB 4.02Å; Y85-V129 HydrophobicContact CE2-CG1 3.8Å; Y85-V129 HydrophobicContact CE2-CG2 4.38Å; V87-V129 PolarHBondContact O-N 2.87Å; L90-V129 HydrophobicContact CB-CG2 4.35Å; L90-V129 HydrophobicContact CD1-CG2 4.12Å; F93-V129 HydrophobicContact CB-CG2 3.88Å; F93-V129 HydrophobicContact CD1-CG1 4.12Å; F93-V129 HydrophobicContact CD1-CG2 4.46Å; F93-V129 HydrophobicContact CD2-CG1 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.29Å; F93-V129 HydrophobicContact CE2-CG1 4.22Å; F93-V129 HydrophobicContact CG-CG1 4Å; F93-V129 HydrophobicContact CG-CG2 4.17Å; F93-V129 HydrophobicContact CZ-CG1 4.32Å; R127-V129 WeakPolarHBondContact CD-O 3.27Å; R127-V129 VanDerWaalsContact CG-O 3.27Å; R127-V129 WeakPolarHBondContact CG-O 3.48Å; R127-V129 PolarHBondContact NH1-O 3.32Å; V129-E133 HydrophobicContact CG1-CB 4.18Å
130	Q	98.6	Very high	97.6	Very high	99 Å²	99	70 Å²	70	46%	0.463	37%	0.37	S	S	.	.			trans	-80.7	146.6	179	-57.1	-59.8	-49	0	0	111.1	V132 E133 G134	Q130-V132 HydrophobicContact CB-CG2 3.87Å; Q130-V132 PolarHBondContact O-N 2.83Å; Q130-V132 VanDerWaalsContact O-N 3.1Å; Q130-E133 HydrophobicContact CB-CG 4.27Å; Q130-E133 WeakPolarHBondContact CB-OE2 3.44Å; Q130-E133 PolarHBondContact N-OE2 2.85Å; Q130-E133 WeakPolarHBondContact O-CB 3.37Å; Q130-E133 PolarHBondContact O-N 3.12Å; Q130-G134 PolarHBondContact O-N 2.82Å
131	A	98.4	Very high	97.5	Very high	37 Å²	37	69 Å²	69	31%	0.306	36%	0.364	S	S	.	.	H	α-helix	trans	-55.2	-33.2	177.8	0	0	0	0	0	112.7	E133 K135 F145 E147	A131-E133 VanDerWaalsContact C-N 3.29Å; A131-E133 PolarHBondContact O-N 3.1Å; A131-K135 VanDerWaalsContact O-CB 3.32Å; A131-K135 WeakPolarHBondContact O-CB 3.36Å; A131-K135 PolarHBondContact O-N 3.43Å; A131-F145 HydrophobicContact CB-CE1 4.41Å; A131-F145 WeakPolarHBondContact O-CE1 3.47Å; A131-E147 WeakPolarHBondContact CA-OE1 3.26Å; A131-E147 HydrophobicContact CB-CG 4.44Å; A131-E147 WeakPolarHBondContact CB-OE1 3.24Å
132	V	98.6	Very high	97.4	Very high	90 Å²	90	69.7 Å²	69.7	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-66.7	-28.1	177.8	-64.2	0	0	0	0	113.1	Q130 K136	Q130-V132 HydrophobicContact CB-CG2 3.87Å; Q130-V132 PolarHBondContact O-N 2.83Å; Q130-V132 VanDerWaalsContact O-N 3.1Å; V132-K136 WeakPolarHBondContact O-CB 3.45Å; V132-K136 VanDerWaalsContact O-CG 3.22Å; V132-K136 WeakPolarHBondContact O-CG 3.42Å; V132-K136 PolarHBondContact O-N 2.81Å; V132-K136 VanDerWaalsContact O-N 3.12Å
133	E	98.7	Very high	97.5	Very high	81 Å²	81	67.8 Å²	67.8	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-74.5	-48.9	177.4	-63.4	173.8	103.4	0	0	110.1	F93 V129 Q130 A131 K135 K136 L137	F93-E133 HydrophobicContact CE1-CB 4.43Å; F93-E133 HydrophobicContact CZ-CB 4.27Å; V129-E133 HydrophobicContact CG1-CB 4.18Å; Q130-E133 HydrophobicContact CB-CG 4.27Å; Q130-E133 WeakPolarHBondContact CB-OE2 3.44Å; Q130-E133 PolarHBondContact N-OE2 2.85Å; Q130-E133 WeakPolarHBondContact O-CB 3.37Å; Q130-E133 PolarHBondContact O-N 3.12Å; A131-E133 VanDerWaalsContact C-N 3.29Å; A131-E133 PolarHBondContact O-N 3.1Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 2.71Å; E133-K136 PolarHBondContact O-N 3.4Å; E133-L137 WeakPolarHBondContact O-CB 3.49Å; E133-L137 PolarHBondContact O-N 3.41Å
134	G	98.6	Very high	97.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-40.1	174.8	0	0	0	0	0	112.8	Q130 L137 A138	Q130-G134 PolarHBondContact O-N 2.82Å; G134-L137 PolarHBondContact O-N 2.92Å; G134-A138 PolarHBondContact O-N 3Å
135	K	98.8	Very high	98	Very high	113 Å²	113	65.2 Å²	65.2	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-49.8	174.9	-173.1	179	177.3	-174.8	0	112.3	A131 E133 L137 A138 E139 F145	A131-K135 VanDerWaalsContact O-CB 3.32Å; A131-K135 WeakPolarHBondContact O-CB 3.36Å; A131-K135 PolarHBondContact O-N 3.43Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 2.71Å; K135-L137 VanDerWaalsContact C-N 3.27Å; K135-L137 PolarHBondContact O-N 2.87Å; K135-A138 PolarHBondContact O-N 2.95Å; K135-E139 WeakPolarHBondContact CE-OE1 3.33Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3.39Å; K135-F145 HydrophobicContact CB-CD1 3.74Å; K135-F145 HydrophobicContact CB-CE1 4.16Å; K135-F145 HydrophobicContact CB-CG 4.29Å; K135-F145 HydrophobicContact CG-CD1 4.34Å
136	K	98.8	Very high	98.1	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-59.2	-40.6	177.6	-77.9	173.3	-178.4	-179.7	0	111.7	V132 E133 E139 S140	V132-K136 WeakPolarHBondContact O-CB 3.45Å; V132-K136 VanDerWaalsContact O-CG 3.22Å; V132-K136 WeakPolarHBondContact O-CG 3.42Å; V132-K136 PolarHBondContact O-N 2.81Å; V132-K136 VanDerWaalsContact O-N 3.12Å; E133-K136 PolarHBondContact O-N 3.4Å; K136-E139 PolarHBondContact O-N 2.97Å; K136-S140 PolarHBondContact O-N 2.65Å
137	L	98.6	Very high	98.2	Very high	18 Å²	18	58 Å²	58	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-49.3	178.4	-175.4	63.1	0	0	0	111.4	F93 I96 E97 L116 E133 G134 K135 E139 S140 W141	F93-L137 HydrophobicContact CD2-CD2 4.25Å; F93-L137 HydrophobicContact CE1-CD2 4.27Å; F93-L137 HydrophobicContact CE2-CB 4.39Å; F93-L137 HydrophobicContact CE2-CD2 3.44Å; F93-L137 VanDerWaalsContact CE2-CD2 3.44Å; F93-L137 HydrophobicContact CZ-CB 4Å; F93-L137 HydrophobicContact CZ-CD2 3.46Å; F93-L137 VanDerWaalsContact CZ-CD2 3.46Å; F93-L137 HydrophobicContact CZ-CG 4.34Å; I96-L137 HydrophobicContact CG2-CD2 4.31Å; E97-L137 HydrophobicContact CG-CD1 3.95Å; E97-L137 HydrophobicContact CG-CD2 3.66Å; E97-L137 HydrophobicContact CG-CG 4.44Å; L116-L137 HydrophobicContact CD2-CB 4.24Å; L116-L137 HydrophobicContact CD2-CD2 3.99Å; L116-L137 HydrophobicContact CD2-CG 4.21Å; E133-L137 WeakPolarHBondContact O-CB 3.49Å; E133-L137 PolarHBondContact O-N 3.41Å; G134-L137 PolarHBondContact O-N 2.92Å; K135-L137 VanDerWaalsContact C-N 3.27Å; K135-L137 PolarHBondContact O-N 2.87Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 3.28Å; L137-S140 WeakPolarHBondContact O-CB 3.48Å; L137-S140 PolarHBondContact O-N 3.02Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 3.03Å; L137-W141 HydrophobicContact CD1-CH2 4.35Å; L137-W141 HydrophobicContact CD1-CZ2 3.48Å; L137-W141 VanDerWaalsContact CD1-CZ2 3.48Å; L137-W141 HydrophobicContact CD2-CH2 3.6Å; L137-W141 HydrophobicContact CD2-CZ2 3.58Å; L137-W141 HydrophobicContact CD2-CZ3 4.42Å; L137-W141 HydrophobicContact CG-CD2 4.35Å; L137-W141 HydrophobicContact CG-CH2 3.78Å; L137-W141 HydrophobicContact CG-CZ2 3.4Å; L137-W141 VanDerWaalsContact CG-CZ2 3.4Å; L137-W141 HydrophobicContact CG-CZ3 4.38Å; L137-W141 PolarHBondContact O-N 3.17Å
138	A	98.4	Very high	98.1	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-39.1	176.7	0	0	0	0	0	112.8	L116 G134 K135 S140 W141 G142 A143 F145	L116-A138 HydrophobicContact CB-CB 4.17Å; L116-A138 HydrophobicContact CD2-CB 4.07Å; G134-A138 PolarHBondContact O-N 3Å; K135-A138 PolarHBondContact O-N 2.95Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.41Å; A138-W141 CarbonylContact O-C 3.59Å; A138-W141 PolarHBondContact O-N 2.9Å; A138-W141 VanDerWaalsContact O-N 3.11Å; A138-G142 PolarHBondContact O-N 2.96Å; A138-G142 VanDerWaalsContact O-N 3.12Å; A138-A143 HydrophobicContact CB-CB 4.27Å; A138-A143 PolarHBondContact O-N 3.38Å; A138-F145 HydrophobicContact CB-CB 3.63Å
139	E	98.3	Very high	98.1	Very high	120 Å²	120	50.2 Å²	50.2	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-59.5	-42	175.2	-75.7	171.5	176.8	0	0	111.5	K135 K136 L137 W141 G142	K135-E139 WeakPolarHBondContact CE-OE1 3.33Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3.39Å; K136-E139 PolarHBondContact O-N 2.97Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 3.28Å; E139-W141 PolarHBondContact O-N 3.46Å; E139-G142 PolarHBondContact O-N 2.81Å
140	S	97.3	Very high	98	Very high	87 Å²	87	50.4 Å²	50.4	61%	0.608	27%	0.27	S	S	*	.	H	α-helix	trans	-61.9	-25.3	176.7	81.6	0	0	0	0	113.4	K136 L137 A138	K136-S140 PolarHBondContact O-N 2.65Å; L137-S140 WeakPolarHBondContact O-CB 3.48Å; L137-S140 PolarHBondContact O-N 3.02Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 3.03Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.41Å
141	W	96.1	Very high	97.8	Very high	38 Å²	38	51.9 Å²	51.9	14%	0.144	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.9	178.2	-60.7	-11.1	0	0	0	113.3	L83 I96 E97 Y100 L116 L137 A138 E139 A143	L83-W141 HydrophobicContact CD1-CZ3 4.02Å; I96-W141 HydrophobicContact CG2-CH2 4.14Å; E97-W141 HydrophobicContact CB-CZ2 4.36Å; E97-W141 HydrophobicContact CG-CZ2 4.12Å; Y100-W141 AromaticContact CD1-CD1 3.75Å; Y100-W141 AromaticContact CD1-CD2 3.73Å; Y100-W141 HydrophobicContact CD1-CD2 3.73Å; Y100-W141 AromaticContact CD1-CE2 3.55Å; Y100-W141 HydrophobicContact CD1-CE3 4.39Å; Y100-W141 AromaticContact CD1-CG 3.86Å; Y100-W141 HydrophobicContact CD1-CG 3.86Å; Y100-W141 HydrophobicContact CD1-CZ2 4.07Å; Y100-W141 AromaticContact CD1-NE1 3.59Å; Y100-W141 AromaticContact CD2-CD2 3.72Å; Y100-W141 HydrophobicContact CD2-CD2 3.72Å; Y100-W141 AromaticContact CD2-CE3 3.6Å; Y100-W141 HydrophobicContact CD2-CE3 3.6Å; Y100-W141 HydrophobicContact CD2-CG 4.14Å; Y100-W141 HydrophobicContact CD2-CZ3 4.01Å; Y100-W141 HydrophobicContact CE1-CB 4.03Å; Y100-W141 AromaticContact CE1-CD1 3.42Å; Y100-W141 VanDerWaalsContact CE1-CD1 3.42Å; Y100-W141 AromaticContact CE1-CD2 3.89Å; Y100-W141 HydrophobicContact CE1-CD2 3.89Å; Y100-W141 AromaticContact CE1-CG 3.51Å; Y100-W141 HydrophobicContact CE1-CG 3.51Å; Y100-W141 AromaticContact CE1-NE1 3.77Å; Y100-W141 HydrophobicContact CE2-CB 3.78Å; Y100-W141 AromaticContact CE2-CD2 3.86Å; Y100-W141 HydrophobicContact CE2-CD2 3.86Å; Y100-W141 AromaticContact CE2-CE3 3.96Å; Y100-W141 HydrophobicContact CE2-CE3 3.96Å; Y100-W141 AromaticContact CE2-CG 3.8Å; Y100-W141 HydrophobicContact CE2-CG 3.8Å; Y100-W141 AromaticContact CG-CD2 3.64Å; Y100-W141 HydrophobicContact CG-CD2 3.64Å; Y100-W141 AromaticContact CG-CE2 3.67Å; Y100-W141 AromaticContact CG-CE3 3.83Å; Y100-W141 HydrophobicContact CG-CE3 3.83Å; Y100-W141 HydrophobicContact CG-CG 4.17Å; Y100-W141 HydrophobicContact CG-CH2 4.06Å; Y100-W141 AromaticContact CG-CZ2 3.89Å; Y100-W141 HydrophobicContact CG-CZ2 3.89Å; Y100-W141 HydrophobicContact CG-CZ3 4.03Å; Y100-W141 VanDerWaalsContact CZ-CB 3.49Å; Y100-W141 AromaticContact CZ-CD1 3.85Å; Y100-W141 AromaticContact CZ-CD2 3.95Å; Y100-W141 AromaticContact CZ-CG 3.46Å; Y100-W141 VanDerWaalsContact CZ-CG 3.46Å; Y100-W141 WeakPolarHBondContact OH-CB 3.48Å; Y100-W141 PolarHBondContact OH-O 2.81Å; L116-W141 HydrophobicContact CB-CZ3 4.33Å; L116-W141 HydrophobicContact CD1-CH2 4.43Å; L116-W141 HydrophobicContact CD1-CZ3 3.99Å; L116-W141 HydrophobicContact CD2-CE3 4.47Å; L116-W141 HydrophobicContact CD2-CH2 4.38Å; L116-W141 HydrophobicContact CD2-CZ3 3.91Å; L116-W141 HydrophobicContact CG-CZ3 4.29Å; L137-W141 HydrophobicContact CD1-CH2 4.35Å; L137-W141 HydrophobicContact CD1-CZ2 3.48Å; L137-W141 VanDerWaalsContact CD1-CZ2 3.48Å; L137-W141 HydrophobicContact CD2-CH2 3.6Å; L137-W141 HydrophobicContact CD2-CZ2 3.58Å; L137-W141 HydrophobicContact CD2-CZ3 4.42Å; L137-W141 HydrophobicContact CG-CD2 4.35Å; L137-W141 HydrophobicContact CG-CH2 3.78Å; L137-W141 HydrophobicContact CG-CZ2 3.4Å; L137-W141 VanDerWaalsContact CG-CZ2 3.4Å; L137-W141 HydrophobicContact CG-CZ3 4.38Å; L137-W141 PolarHBondContact O-N 3.17Å; A138-W141 CarbonylContact O-C 3.59Å; A138-W141 PolarHBondContact O-N 2.9Å; A138-W141 VanDerWaalsContact O-N 3.11Å; E139-W141 PolarHBondContact O-N 3.46Å; W141-A143 HydrophobicContact CB-CB 3.97Å; W141-A143 HydrophobicContact CE3-CB 4.44Å; W141-A143 PolarHBondContact O-N 3.16Å
142	G	95.5	Very high	97.7	Very high	41 Å²	41	54.6 Å²	54.6	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	30.8	-166.3	0	0	0	0	0	112.9	R111 A138 E139	R111-G142 PolarHBondContact NH2-O 2.87Å; A138-G142 PolarHBondContact O-N 2.96Å; A138-G142 VanDerWaalsContact O-N 3.12Å; E139-G142 PolarHBondContact O-N 2.81Å
143	A	97.4	Very high	97.5	Very high	20 Å²	20	53.3 Å²	53.3	17%	0.165	27%	0.268	C	S	.	.			trans	-98.3	166	178.9	0	0	0	0	0	111.5	V114 A138 W141	V114-A143 HydrophobicContact CB-CB 3.91Å; V114-A143 HydrophobicContact CG1-CB 3.99Å; A138-A143 HydrophobicContact CB-CB 4.27Å; A138-A143 PolarHBondContact O-N 3.38Å; W141-A143 HydrophobicContact CB-CB 3.97Å; W141-A143 HydrophobicContact CE3-CB 4.44Å; W141-A143 PolarHBondContact O-N 3.16Å
144	T	98.1	Very high	97.3	Very high	29 Å²	29	57.5 Å²	57.5	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141	169.6	-58.2	0	0	0	0	109.9	V114 V115 L116 M146 K162	V114-T144 PolarHBondContact O-N 3.46Å; V115-T144 CarbonylContact C-O 3.6Å; V115-T144 WeakPolarHBondContact CA-O 3.43Å; L116-T144 PolarHBondContact N-O 3.23Å; T144-M146 HydrophobicContact CG2-CG 4.45Å; T144-K162 HydrophobicContact CG2-CD 4.25Å; T144-K162 VanDerWaalsContact CG2-CE 3.45Å; T144-K162 HydrophobicContact CG2-CG 3.75Å
145	F	98.7	Very high	97.1	Very high	44 Å²	44	60.5 Å²	60.5	19%	0.193	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.7	171.3	176.9	-112.3	0	0	0	112.2	Y85 L116 A131 K135 A138 E147	Y85-F145 HydrophobicContact CE1-CE2 4.22Å; Y85-F145 WeakPolarHBondContact OH-CE2 3.25Å; L116-F145 HydrophobicContact CB-CD2 4.46Å; L116-F145 HydrophobicContact CD2-CD2 4.26Å; L116-F145 HydrophobicContact CG-CD2 4.19Å; L116-F145 WeakPolarHBondContact O-CA 3.49Å; A131-F145 HydrophobicContact CB-CE1 4.41Å; A131-F145 WeakPolarHBondContact O-CE1 3.47Å; K135-F145 HydrophobicContact CB-CD1 3.74Å; K135-F145 HydrophobicContact CB-CE1 4.16Å; K135-F145 HydrophobicContact CB-CG 4.29Å; K135-F145 HydrophobicContact CG-CD1 4.34Å; A138-F145 HydrophobicContact CB-CB 3.63Å; F145-E147 HydrophobicContact CE1-CG 4.02Å; F145-E147 HydrophobicContact CZ-CG 3.6Å
146	M	98.5	Very high	97	Very high	47 Å²	47	55.1 Å²	55.1	23%	0.232	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.9	168.9	-58.8	-176.4	68.1	0	0	110.2	V115 L116 V117 G118 T144 K162	V115-M146 HydrophobicContact CG1-CG 4.44Å; V115-M146 HydrophobicContact CG1-SD 4.44Å; L116-M146 PolarHBondContact O-N 3.03Å; V117-M146 VanDerWaalsContact CA-O 3.3Å; V117-M146 WeakPolarHBondContact CA-O 3.23Å; G118-M146 PolarHBondContact N-O 3.26Å; T144-M146 HydrophobicContact CG2-CG 4.45Å; M146-K162 HydrophobicContact SD-CB 3.98Å; M146-K162 HydrophobicContact SD-CG 4.1Å
147	E	98.5	Very high	96.9	Very high	47 Å²	47	50.6 Å²	50.6	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	152	160	-67.6	-160.8	154	0	0	109.9	G118 A121 R127 A131 F145	G118-E147 CarbonylContact O-C 3.56Å; G118-E147 VanDerWaalsContact O-CA 3.24Å; G118-E147 WeakPolarHBondContact O-CA 3.33Å; A121-E147 HydrophobicContact CB-CB 4.14Å; R127-E147 IonicContact CZ-OE1 2.92Å; R127-E147 IonicContact CZ-OE2 2.85Å; R127-E147 IonicContact NH1-OE1 2.93Å; R127-E147 PolarHBondContact NH1-OE1 2.91Å; R127-E147 IonicContact NH1-OE2 2.86Å; R127-E147 IonicContact NH2-OE1 3.55Å; R127-E147 PolarHBondContact NH2-OE1 3.42Å; R127-E147 IonicContact NH2-OE2 3.72Å; R127-E147 PolarHBondContact NH2-OE2 3.24Å; A131-E147 WeakPolarHBondContact CA-OE1 3.26Å; A131-E147 HydrophobicContact CB-CG 4.44Å; A131-E147 WeakPolarHBondContact CB-OE1 3.24Å; F145-E147 HydrophobicContact CE1-CG 4.02Å; F145-E147 HydrophobicContact CZ-CG 3.6Å
148	S	98.3	Very high	96.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.3	-179.1	67.9	0	0	0	0	113.2	V117 G118 N119 K120 A121	V117-S148 WeakPolarHBondContact CG1-OG 3.43Å; G118-S148 PolarHBondContact O-N 3.43Å; N119-S148 CarbonylContact C-O 3.56Å; N119-S148 WeakPolarHBondContact CA-O 2.91Å; N119-S148 PolarHBondContact OD1-O 3.33Å; N119-S148 PolarHBondContact OD1-OG 2.93Å; K120-S148 PolarHBondContact N-O 3.47Å; A121-S148 PolarHBondContact N-O 2.92Å
149	S	97.7	Very high	96.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	27%	0.266	C	S	.	.			trans	-127.5	132.8	157.7	-179.5	0	0	0	0	108.8	D122 R151 E152 T156	D122-S149 WeakPolarHBondContact OD1-CB 3.43Å; D122-S149 PolarHBondContact OD1-OG 3.45Å; S149-R151 PolarHBondContact O-N 2.84Å; S149-R151 WeakPolarHBondContact OG-CB 3.41Å; S149-R151 PolarHBondContact OG-N 3.08Å; S149-R151 VanDerWaalsContact OG-N 3.13Å; S149-E152 PolarHBondContact O-N 3.36Å; S149-T156 PolarHBondContact O-OG1 2.96Å
150	A	96.2	Very high	96.8	Very high	4 Å²	4	45 Å²	45	3%	0.033	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.9	171.3	0	0	0	0	0	112.6	L22 Q25 F31 N119 E152	L22-A150 HydrophobicContact CD2-CB 4.03Å; L22-A150 HydrophobicContact CG-CB 4.34Å; Q25-A150 WeakPolarHBondContact CG-O 3.5Å; Q25-A150 PolarHBondContact NE2-O 3.35Å; F31-A150 HydrophobicContact CD2-CB 3.77Å; F31-A150 WeakPolarHBondContact CD2-O 3.45Å; F31-A150 HydrophobicContact CE2-CB 3.84Å; N119-A150 PolarHBondContact OD1-N 2.98Å; A150-E152 VanDerWaalsContact C-N 3.26Å
151	R	95.4	Very high	96.8	Very high	130 Å²	130	42.6 Å²	42.6	49%	0.491	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.2	169.8	-60.4	-179	-179.6	-96.9	-2.9	112.2	F31 E33 D122 S149	F31-R151 HydrophobicContact CD1-CG 3.88Å; F31-R151 HydrophobicContact CD2-CG 4.37Å; F31-R151 HydrophobicContact CE1-CG 3.68Å; F31-R151 HydrophobicContact CE2-CG 4.23Å; F31-R151 HydrophobicContact CG-CG 4.21Å; F31-R151 HydrophobicContact CZ-CG 3.88Å; E33-R151 IonicContact OE1-CZ 3.54Å; E33-R151 IonicContact OE1-NH1 3.52Å; E33-R151 PolarHBondContact OE1-NH1 3.25Å; E33-R151 IonicContact OE1-NH2 3.55Å; E33-R151 PolarHBondContact OE1-NH2 3.36Å; D122-R151 WeakPolarHBondContact OD2-CD 3.22Å; D122-R151 IonicContact OD2-NE 3.89Å; S149-R151 PolarHBondContact O-N 2.84Å; S149-R151 WeakPolarHBondContact OG-CB 3.41Å; S149-R151 PolarHBondContact OG-N 3.08Å; S149-R151 VanDerWaalsContact OG-N 3.13Å
152	E	95.2	Very high	96.9	Very high	94 Å²	94	43.5 Å²	43.5	44%	0.439	23%	0.226	S	C	.	.			trans	-109.5	104.4	-176.1	-67.1	-176.3	-144.2	0	0	111.2	S149 A150 Q154 L155 T156	S149-E152 PolarHBondContact O-N 3.36Å; A150-E152 VanDerWaalsContact C-N 3.26Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.31Å; E152-L155 HydrophobicContact CB-CB 4.25Å; E152-L155 HydrophobicContact CB-CD1 4.17Å; E152-L155 HydrophobicContact CB-CG 4.16Å; E152-L155 PolarHBondContact O-N 3.09Å; E152-L155 WeakPolarHBondContact OE2-CD1 3.45Å; E152-L155 WeakPolarHBondContact OE2-CG 3.29Å; E152-T156 PolarHBondContact O-N 3.22Å; E152-T156 VanDerWaalsContact O-N 3.13Å; E152-T156 PolarHBondContact O-OG1 2.98Å
153	N	94.3	Very high	97	Very high	63 Å²	63	41.5 Å²	41.5	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-58.5	-43.6	-177.8	-176.4	-92.3	0	0	0	112.4	Q25 L155 T156 Q157	Q25-N153 PolarHBondContact O-ND2 3.33Å; Q25-N153 PolarHBondContact OE1-ND2 3.41Å; N153-L155 PolarHBondContact O-N 2.99Å; N153-T156 WeakPolarHBondContact O-CB 3.42Å; N153-T156 PolarHBondContact O-N 3.09Å; N153-Q157 WeakPolarHBondContact O-CG 3.23Å; N153-Q157 PolarHBondContact O-N 2.86Å
154	Q	94.2	Very high	96.9	Very high	169 Å²	169	40.6 Å²	40.6	79%	0.79	20%	0.198	S	C	*	.	H	α-helix	trans	-62	-45.4	-177.4	-68.7	-175.8	-12.8	0	0	112.8	E152 T156 Q157 G158	E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.31Å; Q154-T156 VanDerWaalsContact C-N 3.3Å; Q154-T156 PolarHBondContact O-N 2.57Å; Q154-Q157 PolarHBondContact O-N 2.76Å; Q154-G158 PolarHBondContact O-N 2.78Å
155	L	95.1	Very high	96.8	Very high	63 Å²	63	43.4 Å²	43.4	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-40.5	176.2	-64.3	-173.8	0	0	0	111	E152 N153 G158 I159	E152-L155 HydrophobicContact CB-CB 4.25Å; E152-L155 HydrophobicContact CB-CD1 4.17Å; E152-L155 HydrophobicContact CB-CG 4.16Å; E152-L155 PolarHBondContact O-N 3.09Å; E152-L155 WeakPolarHBondContact OE2-CD1 3.45Å; E152-L155 WeakPolarHBondContact OE2-CG 3.29Å; N153-L155 PolarHBondContact O-N 2.99Å; L155-G158 WeakPolarHBondContact O-CA 3.36Å; L155-G158 PolarHBondContact O-N 2.98Å; L155-I159 PolarHBondContact O-N 2.9Å
156	T	96.6	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-45.9	178.1	-57.2	0	0	0	0	112.1	L22 Q25 F26 S149 E152 N153 Q154 G158 I159 F160	L22-T156 HydrophobicContact CB-CG2 4.46Å; L22-T156 HydrophobicContact CD2-CG2 4.03Å; L22-T156 WeakPolarHBondContact O-CG2 3.33Å; Q25-T156 HydrophobicContact CB-CG2 4.02Å; Q25-T156 HydrophobicContact CG-CG2 3.83Å; F26-T156 HydrophobicContact CB-CG2 3.95Å; S149-T156 PolarHBondContact O-OG1 2.96Å; E152-T156 PolarHBondContact O-N 3.22Å; E152-T156 VanDerWaalsContact O-N 3.13Å; E152-T156 PolarHBondContact O-OG1 2.98Å; N153-T156 WeakPolarHBondContact O-CB 3.42Å; N153-T156 PolarHBondContact O-N 3.09Å; Q154-T156 VanDerWaalsContact C-N 3.3Å; Q154-T156 PolarHBondContact O-N 2.57Å; T156-G158 PolarHBondContact O-N 2.99Å; T156-I159 PolarHBondContact O-N 2.82Å; T156-F160 HydrophobicContact CG2-CD2 4.39Å; T156-F160 HydrophobicContact CG2-CE2 4.02Å; T156-F160 WeakPolarHBondContact O-CD2 3.31Å
157	Q	96.9	Very high	96.5	Very high	46 Å²	46	40.7 Å²	40.7	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-35.2	173.5	-66.1	-59.1	-47.1	0	0	111.7	F26 N153 Q154 I159 F160 T161	F26-Q157 VanDerWaalsContact CD2-OE1 3.29Å; F26-Q157 PolarHBondContact O-NE2 3.36Å; N153-Q157 WeakPolarHBondContact O-CG 3.23Å; N153-Q157 PolarHBondContact O-N 2.86Å; Q154-Q157 PolarHBondContact O-N 2.76Å; Q157-I159 PolarHBondContact O-N 3.01Å; Q157-F160 PolarHBondContact O-N 3.3Å; Q157-T161 VanDerWaalsContact O-CB 3.26Å; Q157-T161 WeakPolarHBondContact O-CB 3.42Å; Q157-T161 PolarHBondContact O-N 3.09Å; Q157-T161 PolarHBondContact O-OG1 3.31Å
158	G	97.4	Very high	96.1	Very high	22 Å²	22	39.3 Å²	39.3	23%	0.227	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-44.8	176.6	0	0	0	0	0	113.3	Q154 L155 T156 F160 K162	Q154-G158 PolarHBondContact O-N 2.78Å; L155-G158 WeakPolarHBondContact O-CA 3.36Å; L155-G158 PolarHBondContact O-N 2.98Å; T156-G158 PolarHBondContact O-N 2.99Å; G158-F160 PolarHBondContact O-N 3.49Å; G158-K162 WeakPolarHBondContact O-CB 3.08Å; G158-K162 PolarHBondContact O-N 3.31Å
159	I	98.3	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-54.3	-179.9	-61.5	163.3	0	0	0	110.9	L22 V82 V115 V117 L155 T156 Q157 K162 V163	L22-I159 HydrophobicContact CD1-CD1 4.2Å; L22-I159 HydrophobicContact CD2-CD1 3.9Å; V82-I159 HydrophobicContact CG1-CG2 3.67Å; V82-I159 HydrophobicContact CG2-CG2 4.05Å; V115-I159 HydrophobicContact CG1-CG2 4.37Å; V117-I159 HydrophobicContact CG1-CD1 3.75Å; V117-I159 HydrophobicContact CG1-CG1 4.37Å; V117-I159 HydrophobicContact CG2-CD1 4.11Å; V117-I159 HydrophobicContact CG2-CG1 4.08Å; V117-I159 HydrophobicContact CG2-CG2 3.72Å; L155-I159 PolarHBondContact O-N 2.9Å; T156-I159 PolarHBondContact O-N 2.82Å; Q157-I159 PolarHBondContact O-N 3.01Å; I159-K162 WeakPolarHBondContact O-CB 3.5Å; I159-K162 PolarHBondContact O-N 3.07Å; I159-V163 PolarHBondContact O-N 2.82Å
160	F	97.5	Very high	95.3	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-75.7	-31.6	-172.6	-64	-74.6	0	0	0	112.1	I11 L22 F26 L56 L58 V82 T156 Q157 G158 K162 V163 I164	I11-F160 HydrophobicContact CD1-CE1 3.84Å; I11-F160 HydrophobicContact CD1-CZ 3.86Å; I11-F160 HydrophobicContact CG1-CE1 4.26Å; L22-F160 HydrophobicContact CB-CE2 4.49Å; F26-F160 HydrophobicContact CB-CD2 3.43Å; F26-F160 VanDerWaalsContact CB-CD2 3.43Å; F26-F160 HydrophobicContact CB-CE2 3.41Å; F26-F160 VanDerWaalsContact CB-CE2 3.41Å; F26-F160 HydrophobicContact CB-CG 4.34Å; F26-F160 HydrophobicContact CB-CZ 4.31Å; F26-F160 HydrophobicContact CD1-CB 4.19Å; F26-F160 HydrophobicContact CD1-CD1 4.41Å; F26-F160 AromaticContact CD1-CD2 3.8Å; F26-F160 HydrophobicContact CD1-CD2 3.8Å; F26-F160 HydrophobicContact CD1-CE2 4.27Å; F26-F160 AromaticContact CD1-CG 3.87Å; F26-F160 HydrophobicContact CD1-CG 3.87Å; F26-F160 HydrophobicContact CD2-CB 3.74Å; F26-F160 AromaticContact CD2-CD2 3.4Å; F26-F160 HydrophobicContact CD2-CD2 3.4Å; F26-F160 VanDerWaalsContact CD2-CD2 3.4Å; F26-F160 HydrophobicContact CD2-CE2 4.29Å; F26-F160 AromaticContact CD2-CG 3.84Å; F26-F160 HydrophobicContact CD2-CG 3.84Å; F26-F160 HydrophobicContact CE1-CB 3.91Å; F26-F160 HydrophobicContact CE1-CD2 4.39Å; F26-F160 HydrophobicContact CE1-CG 4.05Å; F26-F160 HydrophobicContact CE2-CB 3.44Å; F26-F160 VanDerWaalsContact CE2-CB 3.44Å; F26-F160 HydrophobicContact CE2-CD2 4.06Å; F26-F160 HydrophobicContact CE2-CG 4.04Å; F26-F160 HydrophobicContact CG-CB 4.09Å; F26-F160 AromaticContact CG-CD2 3.23Å; F26-F160 HydrophobicContact CG-CD2 3.23Å; F26-F160 AromaticContact CG-CE2 3.75Å; F26-F160 HydrophobicContact CG-CE2 3.75Å; F26-F160 AromaticContact CG-CG 3.74Å; F26-F160 HydrophobicContact CG-CG 3.74Å; F26-F160 HydrophobicContact CZ-CB 3.5Å; F26-F160 VanDerWaalsContact CZ-CB 3.5Å; F26-F160 HydrophobicContact CZ-CD2 4.49Å; F26-F160 HydrophobicContact CZ-CG 4.11Å; L56-F160 HydrophobicContact CD2-CB 4.43Å; L56-F160 HydrophobicContact CD2-CD1 4.45Å; L58-F160 HydrophobicContact CD1-CD1 4Å; L58-F160 HydrophobicContact CD1-CE1 3.79Å; L58-F160 HydrophobicContact CD1-CZ 4.25Å; L58-F160 HydrophobicContact CD2-CD1 3.67Å; L58-F160 HydrophobicContact CD2-CE1 3.61Å; L58-F160 HydrophobicContact CG-CD1 4.5Å; L58-F160 HydrophobicContact CG-CE1 4.37Å; V82-F160 HydrophobicContact CG2-CD1 4.37Å; V82-F160 HydrophobicContact CG2-CE1 4.19Å; T156-F160 HydrophobicContact CG2-CD2 4.39Å; T156-F160 HydrophobicContact CG2-CE2 4.02Å; T156-F160 WeakPolarHBondContact O-CD2 3.31Å; Q157-F160 PolarHBondContact O-N 3.3Å; G158-F160 PolarHBondContact O-N 3.49Å; F160-K162 VanDerWaalsContact C-N 3.3Å; F160-K162 PolarHBondContact O-N 3.25Å; F160-V163 WeakPolarHBondContact O-CG1 3.45Å; F160-I164 WeakPolarHBondContact O-CD1 3.25Å; F160-I164 WeakPolarHBondContact O-CG1 3.35Å; F160-I164 PolarHBondContact O-N 3.31Å
161	T	96.9	Very high	94.7	Very high	36 Å²	36	51 Å²	51	22%	0.221	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-43.9	167.7	-64.1	0	0	0	0	110.7	L49 Q157 I164 Q165	L49-T161 HydrophobicContact CD2-CG2 3.71Å; Q157-T161 VanDerWaalsContact O-CB 3.26Å; Q157-T161 WeakPolarHBondContact O-CB 3.42Å; Q157-T161 PolarHBondContact O-N 3.09Å; Q157-T161 PolarHBondContact O-OG1 3.31Å; T161-I164 PolarHBondContact O-N 3.31Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.46Å; T161-Q165 PolarHBondContact O-N 2.92Å
162	K	97.9	Very high	94.1	Very high	56 Å²	56	49.3 Å²	49.3	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-42.3	-176.8	-171.5	51.7	170.5	160.4	0	112.5	V115 T144 M146 G158 I159 F160 I164 Q165 E166	V115-K162 HydrophobicContact CG2-CG 4.37Å; T144-K162 HydrophobicContact CG2-CD 4.25Å; T144-K162 VanDerWaalsContact CG2-CE 3.45Å; T144-K162 HydrophobicContact CG2-CG 3.75Å; M146-K162 HydrophobicContact SD-CB 3.98Å; M146-K162 HydrophobicContact SD-CG 4.1Å; G158-K162 WeakPolarHBondContact O-CB 3.08Å; G158-K162 PolarHBondContact O-N 3.31Å; I159-K162 WeakPolarHBondContact O-CB 3.5Å; I159-K162 PolarHBondContact O-N 3.07Å; F160-K162 VanDerWaalsContact C-N 3.3Å; F160-K162 PolarHBondContact O-N 3.25Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 2.73Å; K162-Q165 WeakPolarHBondContact O-CB 3.38Å; K162-Q165 PolarHBondContact O-N 3.16Å; K162-E166 WeakPolarHBondContact CE-OE1 3.45Å; K162-E166 IonicContact NZ-OE1 3.89Å; K162-E166 PolarHBondContact NZ-OE1 3.24Å; K162-E166 WeakPolarHBondContact O-CG 3.38Å; K162-E166 PolarHBondContact O-N 3.46Å
163	V	97.9	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-38.7	175.7	73.1	0	0	0	0	111.6	V9 V82 V115 I159 F160 Q165 E166 I167	V9-V163 HydrophobicContact CG1-CG1 4.25Å; V9-V163 HydrophobicContact CG1-CG2 4.49Å; V9-V163 HydrophobicContact CG2-CG1 4.12Å; V9-V163 HydrophobicContact CG2-CG2 4.26Å; V82-V163 HydrophobicContact CG2-CB 4.35Å; V82-V163 HydrophobicContact CG2-CG1 4.24Å; V82-V163 HydrophobicContact CG2-CG2 4.47Å; V115-V163 HydrophobicContact CG2-CB 3.72Å; V115-V163 HydrophobicContact CG2-CG2 4.17Å; I159-V163 PolarHBondContact O-N 2.82Å; F160-V163 WeakPolarHBondContact O-CG1 3.45Å; V163-Q165 PolarHBondContact O-N 2.98Å; V163-E166 PolarHBondContact O-N 3.15Å; V163-I167 HydrophobicContact CG2-CD1 4.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.37Å; V163-I167 PolarHBondContact O-N 3.28Å
164	I	96.2	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-41	175.5	-63.5	164.3	0	0	0	111.1	V47 L49 F54 L56 F160 T161 K162 I167 A168	V47-I164 HydrophobicContact CB-CD1 3.77Å; V47-I164 HydrophobicContact CG1-CD1 3.77Å; V47-I164 HydrophobicContact CG2-CD1 3.83Å; L49-I164 HydrophobicContact CD1-CB 3.92Å; L49-I164 HydrophobicContact CD1-CG2 3.45Å; L49-I164 VanDerWaalsContact CD1-CG2 3.45Å; L49-I164 HydrophobicContact CG-CG2 4.46Å; F54-I164 HydrophobicContact CB-CG2 4.26Å; F54-I164 HydrophobicContact CD1-CG2 3.79Å; F54-I164 HydrophobicContact CD2-CG2 3.69Å; F54-I164 HydrophobicContact CE1-CG2 3.97Å; F54-I164 HydrophobicContact CE2-CG2 3.89Å; F54-I164 HydrophobicContact CG-CG2 3.63Å; F54-I164 HydrophobicContact CZ-CG2 4.03Å; L56-I164 HydrophobicContact CD1-CD1 4.13Å; L56-I164 HydrophobicContact CD1-CG1 3.9Å; L56-I164 HydrophobicContact CD2-CD1 4.1Å; L56-I164 HydrophobicContact CG-CD1 4.5Å; F160-I164 WeakPolarHBondContact O-CD1 3.25Å; F160-I164 WeakPolarHBondContact O-CG1 3.35Å; F160-I164 PolarHBondContact O-N 3.31Å; T161-I164 PolarHBondContact O-N 3.31Å; K162-I164 VanDerWaalsContact C-N 3.33Å; K162-I164 PolarHBondContact O-N 2.73Å; I164-I167 WeakPolarHBondContact O-CB 3.18Å; I164-I167 PolarHBondContact O-N 2.95Å; I164-A168 WeakPolarHBondContact O-CB 3.34Å; I164-A168 PolarHBondContact O-N 3.06Å
165	Q	95.4	Very high	90.5	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-43.5	175.7	-72.3	171.6	-10.3	0	0	112	L49 T161 K162 V163 A168 R169	L49-Q165 HydrophobicContact CD1-CG 3.93Å; T161-Q165 VanDerWaalsContact O-CG 3.31Å; T161-Q165 WeakPolarHBondContact O-CG 3.46Å; T161-Q165 PolarHBondContact O-N 2.92Å; K162-Q165 WeakPolarHBondContact O-CB 3.38Å; K162-Q165 PolarHBondContact O-N 3.16Å; V163-Q165 PolarHBondContact O-N 2.98Å; Q165-A168 PolarHBondContact O-N 3.46Å; Q165-R169 WeakPolarHBondContact O-CB 3.44Å; Q165-R169 PolarHBondContact O-N 3.44Å
166	E	95.5	Very high	88.8	Confident	30 Å²	30	46.9 Å²	46.9	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-37	177.5	-65.8	-54	138.5	0	0	111.9	P113 K162 V163 R169 V170	P113-E166 HydrophobicContact CB-CB 3.91Å; K162-E166 WeakPolarHBondContact CE-OE1 3.45Å; K162-E166 IonicContact NZ-OE1 3.89Å; K162-E166 PolarHBondContact NZ-OE1 3.24Å; K162-E166 WeakPolarHBondContact O-CG 3.38Å; K162-E166 PolarHBondContact O-N 3.46Å; V163-E166 PolarHBondContact O-N 3.15Å; E166-R169 PolarHBondContact O-N 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.32Å; E166-V170 PolarHBondContact O-N 3.26Å
167	I	94.6	Very high	87	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-54	170.7	-69.6	166.3	0	0	0	110.9	R7 V9 H79 P113 V163 I164 R169 V170 E171	R7-I167 HydrophobicContact CG-CG2 4.2Å; V9-I167 HydrophobicContact CG2-CD1 3.68Å; H79-I167 HydrophobicContact CB-CD1 4.02Å; H79-I167 HydrophobicContact CB-CG1 4.38Å; H79-I167 HydrophobicContact CB-CG2 4.28Å; H79-I167 WeakPolarHBondContact O-CG1 3.31Å; P113-I167 HydrophobicContact CB-CG1 4Å; P113-I167 HydrophobicContact CG-CB 4.35Å; P113-I167 HydrophobicContact CG-CG1 3.82Å; V163-I167 HydrophobicContact CG2-CD1 4.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.37Å; V163-I167 PolarHBondContact O-N 3.28Å; I164-I167 WeakPolarHBondContact O-CB 3.18Å; I164-I167 PolarHBondContact O-N 2.95Å; I167-R169 PolarHBondContact O-N 3.15Å; I167-V170 PolarHBondContact O-N 3.39Å; I167-E171 WeakPolarHBondContact O-CG 3.26Å; I167-E171 PolarHBondContact O-N 2.78Å; I167-E171 VanDerWaalsContact O-N 3.07Å
168	A	91.3	Very high	85	Confident	18 Å²	18	59.6 Å²	59.6	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-36.8	-179.6	0	0	0	0	0	111.8	F54 I164 Q165 N172	F54-A168 HydrophobicContact CZ-CB 4.29Å; I164-A168 WeakPolarHBondContact O-CB 3.34Å; I164-A168 PolarHBondContact O-N 3.06Å; Q165-A168 PolarHBondContact O-N 3.46Å; A168-N172 WeakPolarHBondContact O-CB 3.38Å; A168-N172 PolarHBondContact O-N 3.03Å; A168-N172 VanDerWaalsContact O-N 3.1Å; A168-N172 PolarHBondContact O-ND2 3.48Å
169	R	90.4	Very high	82.9	Confident	165 Å²	165	68.1 Å²	68.1	62%	0.623	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-50.4	176.1	-178	-176.6	178.9	166.5	2.2	111.6	Q165 E166 I167 E171 N172 S173	Q165-R169 WeakPolarHBondContact O-CB 3.44Å; Q165-R169 PolarHBondContact O-N 3.44Å; E166-R169 PolarHBondContact O-N 3.47Å; I167-R169 PolarHBondContact O-N 3.15Å; R169-E171 PolarHBondContact O-N 3.42Å; R169-N172 PolarHBondContact O-N 3.46Å; R169-S173 PolarHBondContact O-N 3.01Å; R169-S173 VanDerWaalsContact O-N 3.14Å; R169-S173 PolarHBondContact O-OG 2.78Å; R169-S173 VanDerWaalsContact O-OG 3.11Å
170	V	87.5	Confident	80.7	Confident	28 Å²	28	72.6 Å²	72.6	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-42.5	-178.1	168.7	0	0	0	0	111.2	P113 E166 I167 N172 S173 Y174	P113-V170 HydrophobicContact CG-CB 4.22Å; P113-V170 HydrophobicContact CG-CG2 3.96Å; E166-V170 WeakPolarHBondContact O-CG2 3.32Å; E166-V170 PolarHBondContact O-N 3.26Å; I167-V170 PolarHBondContact O-N 3.39Å; V170-N172 PolarHBondContact O-N 3.16Å; V170-S173 WeakPolarHBondContact O-CB 3.45Å; V170-S173 PolarHBondContact O-N 3.16Å; V170-Y174 HydrophobicContact CG1-CD2 3.81Å; V170-Y174 HydrophobicContact CG1-CE2 3.34Å; V170-Y174 WeakPolarHBondContact O-CD2 3.32Å; V170-Y174 PolarHBondContact O-N 3.44Å
171	E	84.9	Confident	78.5	Confident	57 Å²	57	80.2 Å²	80.2	27%	0.266	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177	-70.8	173.9	173.3	0	0	113.1	R7 I167 R169 S173 Y174 G175	R7-E171 IonicContact CZ-OE1 3.51Å; R7-E171 IonicContact CZ-OE2 2.71Å; R7-E171 IonicContact NE-OE1 3.62Å; R7-E171 PolarHBondContact NE-OE1 3.02Å; R7-E171 IonicContact NE-OE2 3.52Å; R7-E171 IonicContact NH2-OE1 3.41Å; R7-E171 PolarHBondContact NH2-OE1 2.89Å; R7-E171 IonicContact NH2-OE2 3.66Å; R7-E171 PolarHBondContact NH2-OE2 3.17Å; I167-E171 WeakPolarHBondContact O-CG 3.26Å; I167-E171 PolarHBondContact O-N 2.78Å; I167-E171 VanDerWaalsContact O-N 3.07Å; R169-E171 PolarHBondContact O-N 3.42Å; E171-S173 VanDerWaalsContact C-N 3.32Å; E171-S173 PolarHBondContact O-N 3.04Å; E171-Y174 PolarHBondContact O-N 3.13Å; E171-G175 PolarHBondContact O-N 2.96Å
172	N	82.3	Confident	76.4	Confident	95 Å²	95	85.9 Å²	85.9	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-64.9	-36.9	177.6	-73.4	-28.8	0	0	0	111.8	A168 R169 V170 G175 Q176	A168-N172 WeakPolarHBondContact O-CB 3.38Å; A168-N172 PolarHBondContact O-N 3.03Å; A168-N172 VanDerWaalsContact O-N 3.1Å; A168-N172 PolarHBondContact O-ND2 3.48Å; R169-N172 PolarHBondContact O-N 3.46Å; V170-N172 PolarHBondContact O-N 3.16Å; N172-G175 PolarHBondContact O-N 3.38Å; N172-Q176 PolarHBondContact O-N 3.21Å; N172-Q176 VanDerWaalsContact O-N 3.15Å
173	S	77.9	Confident	73.8	Confident	56 Å²	56	94.1 Å²	94.1	39%	0.392	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-46.9	174.8	-57	0	0	0	0	111.7	R169 V170 E171 G175 Q176 E177	R169-S173 PolarHBondContact O-N 3.01Å; R169-S173 VanDerWaalsContact O-N 3.14Å; R169-S173 PolarHBondContact O-OG 2.78Å; R169-S173 VanDerWaalsContact O-OG 3.11Å; V170-S173 WeakPolarHBondContact O-CB 3.45Å; V170-S173 PolarHBondContact O-N 3.16Å; E171-S173 VanDerWaalsContact C-N 3.32Å; E171-S173 PolarHBondContact O-N 3.04Å; S173-G175 VanDerWaalsContact C-N 3.3Å; S173-G175 PolarHBondContact O-N 3.26Å; S173-Q176 PolarHBondContact O-N 3.23Å; S173-Q176 VanDerWaalsContact O-N 3.16Å; S173-E177 PolarHBondContact O-N 2.69Å; S173-E177 VanDerWaalsContact O-N 3.07Å
174	Y	67.3	Low	72.6	Confident	99 Å²	99	98.9 Å²	98.9	39%	0.388	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-35.8	176.5	-73	-58.3	0	0	0	112.9	V170 E171 Q176 R178	V170-Y174 HydrophobicContact CG1-CD2 3.81Å; V170-Y174 HydrophobicContact CG1-CE2 3.34Å; V170-Y174 WeakPolarHBondContact O-CD2 3.32Å; V170-Y174 PolarHBondContact O-N 3.44Å; E171-Y174 PolarHBondContact O-N 3.13Å; Y174-Q176 VanDerWaalsContact C-N 3.3Å; Y174-Q176 PolarHBondContact O-N 3.48Å; Y174-R178 WeakPolarHBondContact O-CG 3.44Å; Y174-R178 PolarHBondContact O-N 2.82Å
175	G	62.6	Low	71.4	Confident	42 Å²	42	104.1 Å²	104.1	43%	0.433	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-32	175.4	0	0	0	0	0	113.6	E171 N172 S173	E171-G175 PolarHBondContact O-N 2.96Å; N172-G175 PolarHBondContact O-N 3.38Å; S173-G175 VanDerWaalsContact C-N 3.3Å; S173-G175 PolarHBondContact O-N 3.26Å
176	Q	59.7	Low	70	Confident	141 Å²	141	104.9 Å²	104.9	66%	0.659	51%	0.506	S	S	*	.	H	α-helix	trans	-78.1	-45	176.5	-72.4	-176.6	-10.7	0	0	112.2	N172 S173 Y174 R178 R179 C180	N172-Q176 PolarHBondContact O-N 3.21Å; N172-Q176 VanDerWaalsContact O-N 3.15Å; S173-Q176 PolarHBondContact O-N 3.23Å; S173-Q176 VanDerWaalsContact O-N 3.16Å; Y174-Q176 VanDerWaalsContact C-N 3.3Å; Y174-Q176 PolarHBondContact O-N 3.48Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 2.97Å; Q176-R179 WeakPolarHBondContact O-CB 3.45Å; Q176-R179 PolarHBondContact O-N 2.96Å; Q176-R179 VanDerWaalsContact O-N 3.08Å; Q176-C180 PolarHBondContact O-N 2.72Å
177	E	59	Low	68.5	Low	118 Å²	118	109.3 Å²	109.3	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-59.6	-41.8	179.3	-75.9	179.3	173	0	0	112.6	S173 R179 C180 H181	S173-E177 PolarHBondContact O-N 2.69Å; S173-E177 VanDerWaalsContact O-N 3.07Å; E177-R179 VanDerWaalsContact C-N 3.31Å; E177-R179 PolarHBondContact O-N 3.27Å; E177-C180 PolarHBondContact O-N 2.96Å; E177-H181 PolarHBondContact O-N 3.22Å; E177-H181 PolarHBondContact O-ND1 2.68Å
178	R	53.7	Low	66.9	Low	195 Å²	195	115.9 Å²	115.9	74%	0.736	56%	0.56	S	S	*	*	H	α-helix	trans	-64.7	-33.7	175.8	-74.4	-176.5	173.7	-167.3	-1	112.8	Y174 Q176 L182	Y174-R178 WeakPolarHBondContact O-CG 3.44Å; Y174-R178 PolarHBondContact O-N 2.82Å; Q176-R178 VanDerWaalsContact C-N 3.33Å; Q176-R178 PolarHBondContact O-N 2.97Å; R178-L182 WeakPolarHBondContact O-CD1 3.48Å
179	R	54	Low	65.3	Low	201 Å²	201	122.5 Å²	122.5	76%	0.758	59%	0.587	S	S	*	*	H	α-helix	trans	-70.8	-36.6	176.7	-111	176.5	173.1	164	-2.2	112.2	Q176 E177 H181 L182	Q176-R179 WeakPolarHBondContact O-CB 3.45Å; Q176-R179 PolarHBondContact O-N 2.96Å; Q176-R179 VanDerWaalsContact O-N 3.08Å; E177-R179 VanDerWaalsContact C-N 3.31Å; E177-R179 PolarHBondContact O-N 3.27Å; R179-H181 VanDerWaalsContact C-N 3.33Å; R179-L182 PolarHBondContact O-N 3.26Å
180	C	52.8	Low	63.5	Low	94 Å²	94	119.4 Å²	119.4	64%	0.635	59%	0.585	S	S	*	*	H	α-helix	trans	-70.7	-24.6	176.3	-72.6	0	0	0	0	113.7	Q176 E177	Q176-C180 PolarHBondContact O-N 2.72Å; E177-C180 PolarHBondContact O-N 2.96Å
181	H	50.3	Low	61.6	Low	162 Å²	162	126.5 Å²	126.5	75%	0.75	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-6.6	177.2	-77.2	64.5	0	0	0	114.2	E177 R179	E177-H181 PolarHBondContact O-N 3.22Å; E177-H181 PolarHBondContact O-ND1 2.68Å; R179-H181 VanDerWaalsContact C-N 3.33Å
182	L	52.2	Low	59.7	Low	155 Å²	155	132.3 Å²	132.3	81%	0.812	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	5.8	179.8	-84.9	157.7	0	0	0	112.8	R178 R179	R178-L182 WeakPolarHBondContact O-CD1 3.48Å; R179-L182 PolarHBondContact O-N 3.26Å
183	M	44.4	Very low	57.6	Low	229 Å²	229	135.6 Å²	135.6	100%	1.128	66%	0.658	S	S	*	*			trans	-103.9	0	167.8	-72.4	-172.2	176.4	0	0	109.5

Retrieved 183 of 183 residues in 36.2 ms (Link to these results)

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