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Ras-related protein M-Ras

Signal transducer in the Ras-MAPK signaling pathway that regulates cell proliferation and survival^1,2,3,4,5,6. Core component of the SHOC2-MRAS-PP1c (SMP) holophosphatase complex that regulates the MAPK pathway activation^7,8,9,10,11. The formation of the SMP complex only occurs when MRAS is GTP-bound^{12,13,14,15,16}. MRAS has low intrinsic GTPase activity and may require additional factors for activation¹⁷. The SMP complex specifically dephosphorylates the inhibitory phosphorylation at 'Ser-259' of RAF1 kinase, 'Ser-365' of BRAF kinase and 'Ser-214' of ARAF kinase, stimulating their kinase activities^{18,19,20,21,22}.

AlphaFold DB , UniProt , Accession O14807, Species HUMAN (Homo sapiens, Human), Gene MRAS, Length 208 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	38.5	Very low	60.4	Low	239 Å²	239	106.5 Å²	106.5	100%	1.177	66%	0.66	S	S	*	*				0	120.1	0	-69.2	175.9	-176.5	0	0	106.9	T3	M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2	A	44.7	Very low	63.3	Low	105 Å²	105	101.6 Å²	101.6	87%	0.868	63%	0.631	S	S	*	*			trans	-68.5	111.2	-178.8	0	0	0	0	0	108.7	S4	A2-S4 PolarHBondContact O-N 3.46Å; A2-S4 VanDerWaalsContact O-N 3.11Å
3	T	50.3	Low	65.8	Low	132 Å²	132	98.8 Å²	98.8	81%	0.81	61%	0.613	S	S	*	*			trans	-64.6	107.3	163.9	49.7	0	0	0	0	106.1	M1 A5	M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-A5 PolarHBondContact O-N 3.23Å
4	S	56.7	Low	68.1	Low	70 Å²	70	92.9 Å²	92.9	49%	0.49	57%	0.574	S	S	.	*			trans	-60.8	105.8	171.1	42.4	0	0	0	0	106.9	A2 V6	A2-S4 PolarHBondContact O-N 3.46Å; A2-S4 VanDerWaalsContact O-N 3.11Å; S4-V6 PolarHBondContact O-N 3.34Å
5	A	59.2	Low	70.1	Confident	88 Å²	88	92.9 Å²	92.9	73%	0.727	56%	0.563	S	S	*	*			trans	-57.6	115.5	173.1	0	0	0	0	0	106.8	T3 P7	T3-A5 PolarHBondContact O-N 3.23Å; A5-P7 VanDerWaalsContact O-CD 3.23Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-P7 VanDerWaalsContact O-N 3.07Å
6	V	59.4	Low	71.8	Confident	72 Å²	72	87.1 Å²	87.1	44%	0.436	53%	0.528	S	S	.	.			trans	-54.7	117.7	174.4	-178.5	0	0	0	0	106.3	S4 S8 L11 W60	S4-V6 PolarHBondContact O-N 3.34Å; V6-S8 PolarHBondContact O-N 3.01Å; V6-L11 HydrophobicContact CG1-CD1 4.19Å; V6-W60 HydrophobicContact CG1-CE3 4.24Å; V6-W60 HydrophobicContact CG1-CZ3 4.37Å; V6-W60 HydrophobicContact CG2-CE3 4.5Å; V6-W60 HydrophobicContact CG2-CH2 3.7Å; V6-W60 HydrophobicContact CG2-CZ2 4.15Å; V6-W60 HydrophobicContact CG2-CZ3 3.9Å
7	P	57.7	Low	73.4	Confident	57 Å²	57	82.2 Å²	82.2	37%	0.37	50%	0.498	S	S	.	.			trans	-61.1	125.2	-178	-21.8	32.6	0	0	0	109.3	A5 D9 L11 W60	A5-P7 VanDerWaalsContact O-CD 3.23Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-P7 VanDerWaalsContact O-N 3.07Å; P7-D9 PolarHBondContact O-N 3.43Å; P7-D9 VanDerWaalsContact O-N 3.16Å; P7-L11 HydrophobicContact CB-CD2 4.42Å; P7-W60 HydrophobicContact CG-CG 4.42Å
8	S	60.9	Low	74.8	Confident	125 Å²	125	77.7 Å²	77.7	87%	0.874	47%	0.471	S	S	*	.			trans	-69.2	-3.6	175.9	49.4	0	0	0	0	113.6	V6	V6-S8 PolarHBondContact O-N 3.01Å
9	D	64.7	Low	76	Confident	98 Å²	98	73.6 Å²	73.6	52%	0.524	45%	0.446	S	S	.	.	S	Bend	trans	-89.3	114.4	-176.8	-73.9	-9.5	0	0	0	111.7	P7 L11 K191	P7-D9 PolarHBondContact O-N 3.43Å; P7-D9 VanDerWaalsContact O-N 3.16Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.46Å; D9-K191 IonicContact OD2-NZ 2.9Å; D9-K191 PolarHBondContact OD2-NZ 3.36Å
10	N	82.7	Confident	77.1	Confident	161 Å²	161	70 Å²	70	86%	0.861	42%	0.424	S	S	*	.			trans	17.7	63.8	158.3	-153.2	19.3	0	0	0	116.2
11	L	90	Very high	78	Confident	24 Å²	24	67.9 Å²	67.9	13%	0.126	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-64.7	143.9	-178.3	-67.9	177.2	0	0	0	110.5	V6 P7 D9 T13 W60 I62	V6-L11 HydrophobicContact CG1-CD1 4.19Å; P7-L11 HydrophobicContact CB-CD2 4.42Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.46Å; L11-T13 PolarHBondContact O-N 3.16Å; L11-W60 HydrophobicContact CD1-CB 4.15Å; L11-W60 HydrophobicContact CD2-CB 3.56Å; L11-I62 HydrophobicContact CB-CD1 4.15Å; L11-I62 HydrophobicContact CB-CG1 4.01Å; L11-I62 HydrophobicContact CD1-CG1 4.27Å
12	P	94.4	Very high	80.7	Confident	48 Å²	48	57.5 Å²	57.5	31%	0.312	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-59	127.3	170.9	26.5	-32.7	0	0	0	109.5	Y14 A61 I62	P12-Y14 HydrophobicContact CB-CE2 4.18Å; P12-Y14 HydrophobicContact CG-CE2 4.36Å; P12-A61 HydrophobicContact CG-CB 4.3Å; P12-A61 WeakPolarHBondContact O-CA 3.37Å; P12-I62 PolarHBondContact O-N 2.84Å
13	T	95.9	Very high	83.1	Confident	65 Å²	65	53.7 Å²	53.7	40%	0.399	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.2	173.6	-56.2	0	0	0	0	108.8	L11 I62 D64	L11-T13 PolarHBondContact O-N 3.16Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.29Å; T13-I62 WeakPolarHBondContact CA-O 3.33Å; T13-I62 HydrophobicContact CG2-CB 4.15Å; T13-I62 HydrophobicContact CG2-CG2 4.1Å; T13-D64 HydrophobicContact CG2-CB 4.07Å
14	Y	97.8	Very high	85.3	Confident	17 Å²	17	47.4 Å²	47.4	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.6	176	-59.3	-73.9	0	0	0	109.3	P12 L16 A61 I62 L63 D64 V172 I175 R176	P12-Y14 HydrophobicContact CB-CE2 4.18Å; P12-Y14 HydrophobicContact CG-CE2 4.36Å; Y14-L16 PolarHBondContact O-N 2.97Å; Y14-A61 HydrophobicContact CD2-CB 3.8Å; Y14-A61 HydrophobicContact CE2-CB 3.59Å; Y14-I62 PolarHBondContact N-O 2.95Å; Y14-L63 HydrophobicContact CD2-CD2 4.07Å; Y14-D64 PolarHBondContact O-N 3.2Å; Y14-V172 HydrophobicContact CD2-CG1 3.77Å; Y14-V172 HydrophobicContact CD2-CG2 4.33Å; Y14-V172 HydrophobicContact CE2-CG1 3.62Å; Y14-V172 HydrophobicContact CG-CG1 4.37Å; Y14-I175 HydrophobicContact CD1-CB 4.43Å; Y14-I175 HydrophobicContact CD1-CD1 4.33Å; Y14-I175 HydrophobicContact CD1-CG2 3.75Å; Y14-I175 HydrophobicContact CE1-CG2 3.83Å; Y14-R176 HydrophobicContact CE1-CG 4.46Å; Y14-R176 WeakPolarHBondContact OH-CG 3.5Å; Y14-R176 PolarHBondContact OH-NE 3.48Å; Y14-R176 VanDerWaalsContact OH-NE 3.12Å
15	K	97.9	Very high	87.2	Confident	92 Å²	92	44.6 Å²	44.6	40%	0.4	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	99.3	176.9	-63.7	-172	174.8	-167.9	0	110.3	D64 G85 D86 G87	K15-D64 CarbonylContact C-O 3.43Å; K15-D64 VanDerWaalsContact CA-O 3.27Å; K15-D64 WeakPolarHBondContact CA-O 3.37Å; K15-D64 HydrophobicContact CG-CB 4.18Å; K15-G85 CarbonylContact O-C 3.51Å; K15-D86 PolarHBondContact N-OD2 3.3Å; K15-D86 PolarHBondContact O-N 3.36Å; K15-G87 PolarHBondContact O-N 3Å
16	L	98.7	Very high	89	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.3	-179.3	-46.6	-174.4	0	0	0	109.2	Y14 L63 D64 V65 L66 F168 L171 V172 I175	Y14-L16 PolarHBondContact O-N 2.97Å; L16-L63 HydrophobicContact CD1-CB 4.44Å; L16-L63 HydrophobicContact CD1-CD1 4.16Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; L16-L63 HydrophobicContact CD1-CG 4.47Å; L16-D64 PolarHBondContact N-O 2.9Å; L16-V65 HydrophobicContact CB-CG2 4.22Å; L16-V65 HydrophobicContact CD1-CG2 4.24Å; L16-V65 HydrophobicContact CG-CG2 4.48Å; L16-V65 CarbonylContact O-C 2.98Å; L16-V65 WeakPolarHBondContact O-CA 3.47Å; L16-L66 PolarHBondContact O-N 3.16Å; L16-F168 HydrophobicContact CD1-CD1 4.12Å; L16-L171 HydrophobicContact CB-CD2 4.1Å; L16-L171 HydrophobicContact CD1-CD2 4.3Å; L16-L171 HydrophobicContact CD2-CD2 3.85Å; L16-L171 HydrophobicContact CD2-CG 4.08Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L16-V172 HydrophobicContact CD1-CG2 4.13Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; L16-I175 HydrophobicContact CD2-CD1 3.46Å; L16-I175 VanDerWaalsContact CD2-CD1 3.46Å
17	V	98.4	Very high	90.8	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.1	179.4	-173.6	0	0	0	0	109.7	V19 L66 T68 G87 F88 L89	V17-V19 HydrophobicContact CG1-CG1 3.85Å; V17-L66 HydrophobicContact CG1-CD2 4.38Å; V17-L66 HydrophobicContact CG2-CB 4.45Å; V17-T68 HydrophobicContact CG1-CG2 3.6Å; V17-G87 PolarHBondContact N-O 3.06Å; V17-F88 HydrophobicContact CB-CD1 3.67Å; V17-F88 HydrophobicContact CB-CE1 3.67Å; V17-F88 HydrophobicContact CG1-CD1 4.24Å; V17-F88 HydrophobicContact CG1-CE1 4.17Å; V17-F88 HydrophobicContact CG2-CD1 4.44Å; V17-F88 HydrophobicContact CG2-CE1 3.98Å; V17-F88 VanDerWaalsContact O-CA 3.3Å; V17-F88 WeakPolarHBondContact O-CA 3.33Å; V17-L89 PolarHBondContact O-N 3.16Å
18	V	98.6	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.2	178.2	-167.8	0	0	0	0	108.8	K26 V65 L66 T68 L89 V91 F168	V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.19Å; V18-K26 HydrophobicContact CG1-CG 3.89Å; V18-V65 HydrophobicContact CG2-CG1 3.98Å; V18-L66 PolarHBondContact N-O 3.24Å; V18-T68 PolarHBondContact O-OG1 2.85Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.28Å; V18-V91 HydrophobicContact CG1-CG2 3.6Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.3Å
19	V	98	Very high	94.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	162.2	-176.7	-56.7	0	0	0	0	111.2	V17 K26 M82 F88 L89 I90 V91 F106 I110	V17-V19 HydrophobicContact CG1-CG1 3.85Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; V19-M82 HydrophobicContact CB-CE 4.36Å; V19-M82 HydrophobicContact CG1-CE 3.91Å; V19-F88 HydrophobicContact CG1-CD1 4.38Å; V19-L89 PolarHBondContact N-O 2.93Å; V19-I90 HydrophobicContact CG2-CB 4.45Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; V19-V91 PolarHBondContact O-N 2.99Å; V19-F106 HydrophobicContact CB-CD1 4.03Å; V19-F106 HydrophobicContact CB-CE1 4.23Å; V19-F106 HydrophobicContact CG2-CD1 3.99Å; V19-F106 HydrophobicContact CG2-CG 4.42Å; V19-I110 HydrophobicContact CG2-CD1 4.22Å
20	G	97.6	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	16%	0.157	C	C	.	.			trans	140.1	167.2	-174	0	0	0	0	0	111.3	K26 G70 V91 F106	G20-K26 WeakPolarHBondContact O-CE 3.12Å; G20-K26 PolarHBondContact O-NZ 2.47Å; G20-G70 WeakPolarHBondContact O-CA 3.17Å; G20-V91 WeakPolarHBondContact CA-O 3.43Å; G20-F106 VanDerWaalsContact C-CZ 3.49Å
21	D	96.7	Very high	96.6	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	12%	0.123	C	C	.	.			trans	-57.4	165.5	-176.8	-78.3	12.5	0	0	0	114	V24 K26 S99 H102 F106	D21-V24 HydrophobicContact CB-CG1 3.78Å; D21-V24 VanDerWaalsContact O-CG2 3.3Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; D21-K26 PolarHBondContact O-NZ 3.22Å; D21-S99 WeakPolarHBondContact OD2-CA 3.29Å; D21-H102 IonicContact OD1-CG 3.09Å; D21-H102 IonicContact OD1-ND1 3.79Å; D21-H102 PolarHBondContact OD1-ND1 2.79Å; D21-H102 IonicContact OD2-CE1 2.74Å; D21-H102 IonicContact OD2-CG 3.04Å; D21-H102 IonicContact OD2-ND1 3.1Å; D21-H102 PolarHBondContact OD2-ND1 2.9Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.48Å
22	G	94.6	Very high	96.9	Very high	21 Å²	21	18.9 Å²	18.9	22%	0.216	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141.5	167.6	0	0	0	0	0	111.6	V24 G70	G22-V24 PolarHBondContact O-N 3.4Å; G22-V24 VanDerWaalsContact O-N 3.08Å; G22-G70 PolarHBondContact N-O 3.38Å
23	G	94.4	Very high	97	Very high	26 Å²	26	16.6 Å²	16.6	27%	0.268	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-0.2	172.9	0	0	0	0	0	116.8	G25 Y42 K127	G23-G25 PolarHBondContact O-N 3.38Å; G23-Y42 PolarHBondContact N-OH 2.91Å; G23-Y42 VanDerWaalsContact N-OH 3.08Å; G23-K127 VanDerWaalsContact O-CE 3.26Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.24Å
24	V	97	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-70.5	-13.4	178.2	-56.3	0	0	0	0	113.9	D21 G22 K26 V91 S99 N126 K127	D21-V24 HydrophobicContact CB-CG1 3.78Å; D21-V24 VanDerWaalsContact O-CG2 3.3Å; D21-V24 WeakPolarHBondContact O-CG2 3.27Å; G22-V24 PolarHBondContact O-N 3.4Å; G22-V24 VanDerWaalsContact O-N 3.08Å; V24-K26 HydrophobicContact CG2-CD 4.35Å; V24-K26 HydrophobicContact CG2-CG 3.63Å; V24-V91 HydrophobicContact CB-CG1 4.37Å; V24-V91 HydrophobicContact CG2-CB 4Å; V24-V91 HydrophobicContact CG2-CG1 3.84Å; V24-S99 VanDerWaalsContact CG1-CB 3.5Å; V24-N126 PolarHBondContact O-ND2 3.24Å; V24-K127 WeakPolarHBondContact O-CE 3.4Å
25	G	97	Very high	96.9	Very high	11 Å²	11	19 Å²	19	11%	0.113	11%	0.11	C	C	.	.	S	Bend	trans	95.6	30.9	177.2	0	0	0	0	0	115.3	G23 A28 L29 N126	G23-G25 PolarHBondContact O-N 3.38Å; G25-A28 PolarHBondContact O-N 3.16Å; G25-L29 WeakPolarHBondContact O-CG 3.28Å; G25-L29 PolarHBondContact O-N 3.29Å; G25-N126 PolarHBondContact O-ND2 3.41Å
26	K	97.3	Very high	96.7	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-54.9	173.9	-58.8	-173	-62	-72.2	0	111.4	V18 V19 G20 D21 V24 A28 L29 T30 D67 T68 V91	V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.19Å; V18-K26 HydrophobicContact CG1-CG 3.89Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; G20-K26 WeakPolarHBondContact O-CE 3.12Å; G20-K26 PolarHBondContact O-NZ 2.47Å; D21-K26 PolarHBondContact O-NZ 3.22Å; V24-K26 HydrophobicContact CG2-CD 4.35Å; V24-K26 HydrophobicContact CG2-CG 3.63Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.25Å; K26-L29 WeakPolarHBondContact O-CB 3.31Å; K26-L29 PolarHBondContact O-N 3.22Å; K26-L29 VanDerWaalsContact O-N 3.12Å; K26-T30 PolarHBondContact O-N 2.92Å; K26-T30 PolarHBondContact O-OG1 3.03Å; K26-T30 VanDerWaalsContact O-OG1 3.11Å; K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.26Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-V91 HydrophobicContact CG-CB 4.19Å; K26-V91 HydrophobicContact CG-CG2 4.32Å
27	S	96.2	Very high	96.5	Very high	21 Å²	21	23.3 Å²	23.3	15%	0.147	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-41	177.5	-37.4	0	0	0	0	112	L29 T30 I31 T45 D67	S27-L29 PolarHBondContact O-N 3.18Å; S27-T30 PolarHBondContact O-N 3.46Å; S27-I31 VanDerWaalsContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.24Å; S27-I31 PolarHBondContact O-N 2.78Å; S27-T45 PolarHBondContact OG-OG1 3.23Å; S27-D67 WeakPolarHBondContact CA-OD2 3.34Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD2 3.01Å; S27-D67 PolarHBondContact OG-OD2 3Å
28	A	96.5	Very high	96.2	Very high	19 Å²	19	27.1 Å²	27.1	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-42.2	175.9	0	0	0	0	0	112	G25 K26 Q32 F38 A157	G25-A28 PolarHBondContact O-N 3.16Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.25Å; A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 PolarHBondContact O-N 3.1Å; A28-F38 HydrophobicContact CB-CD2 4.35Å; A28-F38 HydrophobicContact CB-CE2 4.07Å; A28-A157 HydrophobicContact CB-CB 3.71Å
29	L	98.1	Very high	95.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-44	174.8	-72.7	171.4	0	0	0	111.8	G25 K26 S27 Q32 F33 V91 V124 N126 A157 V164	G25-L29 WeakPolarHBondContact O-CG 3.28Å; G25-L29 PolarHBondContact O-N 3.29Å; K26-L29 WeakPolarHBondContact O-CB 3.31Å; K26-L29 PolarHBondContact O-N 3.22Å; K26-L29 VanDerWaalsContact O-N 3.12Å; S27-L29 PolarHBondContact O-N 3.18Å; L29-Q32 PolarHBondContact O-N 3.36Å; L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.27Å; L29-V91 HydrophobicContact CD1-CG1 3.86Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L29-V124 HydrophobicContact CD1-CG1 3.97Å; L29-N126 HydrophobicContact CD1-CB 4.19Å; L29-A157 HydrophobicContact CD2-CB 4.09Å; L29-A157 HydrophobicContact CG-CB 4.43Å; L29-V164 HydrophobicContact CD2-CG1 4.46Å; L29-V164 HydrophobicContact CD2-CG2 3.9Å; L29-V164 WeakPolarHBondContact O-CG1 3.1Å
30	T	97.1	Very high	95	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-52.6	179	-56.5	0	0	0	0	110.7	K26 S27 Q32 F33 F34 Y50 V65 D67	K26-T30 PolarHBondContact O-N 2.92Å; K26-T30 PolarHBondContact O-OG1 3.03Å; K26-T30 VanDerWaalsContact O-OG1 3.11Å; S27-T30 PolarHBondContact O-N 3.46Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.45Å; T30-F33 WeakPolarHBondContact O-CB 3.15Å; T30-F33 PolarHBondContact O-N 3.15Å; T30-F33 VanDerWaalsContact O-N 3.08Å; T30-F34 HydrophobicContact CG2-CD2 3.99Å; T30-F34 HydrophobicContact CG2-CE2 4.12Å; T30-F34 VanDerWaalsContact O-CD2 3.29Å; T30-F34 WeakPolarHBondContact O-CD2 3.28Å; T30-F34 PolarHBondContact O-N 3.41Å; T30-Y50 HydrophobicContact CG2-CD2 3.49Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.49Å; T30-Y50 HydrophobicContact CG2-CE2 3.62Å; T30-Y50 HydrophobicContact CG2-CG 4.25Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; T30-D67 HydrophobicContact CG2-CB 4.32Å
31	I	95.5	Very high	94.3	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-44.9	177.5	-66.8	165.7	0	0	0	110.4	S27 F33 F34 Q35 I37 V39	S27-I31 VanDerWaalsContact O-CB 3.3Å; S27-I31 WeakPolarHBondContact O-CB 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.24Å; S27-I31 PolarHBondContact O-N 2.78Å; I31-F33 VanDerWaalsContact C-N 3.28Å; I31-F33 PolarHBondContact O-N 3.34Å; I31-F34 PolarHBondContact O-N 3.41Å; I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.45Å; I31-Q35 WeakPolarHBondContact O-CA 2.9Å; I31-Q35 WeakPolarHBondContact O-CB 3.12Å; I31-Q35 PolarHBondContact O-N 2.92Å; I31-I37 HydrophobicContact CG2-CD1 4.31Å; I31-I37 HydrophobicContact CG2-CG1 3.75Å; I31-V39 HydrophobicContact CG2-CG2 4.25Å
32	Q	96.9	Very high	93.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-35.7	177.4	-178	62.4	-60.1	0	0	111.9	A28 L29 T30 K36 I37 A157 P161 V164	A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 PolarHBondContact O-N 3.1Å; L29-Q32 PolarHBondContact O-N 3.36Å; T30-Q32 VanDerWaalsContact C-N 3.32Å; T30-Q32 PolarHBondContact O-N 3.45Å; Q32-K36 WeakPolarHBondContact O-CA 3.42Å; Q32-K36 WeakPolarHBondContact O-CD 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å; Q32-I37 WeakPolarHBondContact CA-O 3.24Å; Q32-I37 PolarHBondContact OE1-O 3.14Å; Q32-A157 HydrophobicContact CB-CB 4.33Å; Q32-A157 WeakPolarHBondContact CG-O 3.42Å; Q32-A157 PolarHBondContact NE2-O 3.06Å; Q32-P161 HydrophobicContact CG-CB 3.87Å; Q32-V164 HydrophobicContact CB-CG1 4.23Å; Q32-V164 HydrophobicContact CG-CB 4.37Å; Q32-V164 HydrophobicContact CG-CG1 4.14Å; Q32-V164 HydrophobicContact CG-CG2 3.95Å
33	F	97.3	Very high	92.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-44.9	175.9	179.5	-124.6	0	0	0	112.4	L29 T30 I31 K36 K52 L63 V164 D165 F168 H169	L29-F33 WeakPolarHBondContact O-CB 3.42Å; L29-F33 PolarHBondContact O-N 3.27Å; T30-F33 WeakPolarHBondContact O-CB 3.15Å; T30-F33 PolarHBondContact O-N 3.15Å; T30-F33 VanDerWaalsContact O-N 3.08Å; I31-F33 VanDerWaalsContact C-N 3.28Å; I31-F33 PolarHBondContact O-N 3.34Å; F33-K36 WeakPolarHBondContact O-CE 3.33Å; F33-K36 PolarHBondContact O-NZ 3.18Å; F33-K52 HydrophobicContact CD1-CD 4.42Å; F33-K52 HydrophobicContact CE1-CD 3.79Å; F33-K52 HydrophobicContact CE2-CD 4.43Å; F33-K52 HydrophobicContact CZ-CD 3.8Å; F33-L63 HydrophobicContact CE1-CD1 3.94Å; F33-L63 HydrophobicContact CZ-CD1 3.8Å; F33-V164 HydrophobicContact CB-CG1 3.79Å; F33-D165 HydrophobicContact CD2-CB 4.3Å; F33-D165 HydrophobicContact CE2-CB 4.23Å; F33-F168 HydrophobicContact CB-CD2 3.72Å; F33-F168 HydrophobicContact CB-CE2 3.53Å; F33-F168 HydrophobicContact CB-CZ 4.24Å; F33-F168 HydrophobicContact CD1-CB 4.23Å; F33-F168 HydrophobicContact CD1-CD1 4.06Å; F33-F168 AromaticContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CE1 4.35Å; F33-F168 HydrophobicContact CD1-CE2 4.03Å; F33-F168 AromaticContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CZ 4.35Å; F33-F168 HydrophobicContact CD2-CB 4.3Å; F33-F168 AromaticContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.22Å; F33-F168 HydrophobicContact CE1-CB 3.89Å; F33-F168 HydrophobicContact CE1-CD1 4.21Å; F33-F168 HydrophobicContact CE1-CD2 4.24Å; F33-F168 AromaticContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE2-CB 3.96Å; F33-F168 HydrophobicContact CE2-CD2 4.27Å; F33-F168 HydrophobicContact CE2-CG 4.33Å; F33-F168 HydrophobicContact CG-CB 4.44Å; F33-F168 AromaticContact CG-CD2 3.42Å; F33-F168 HydrophobicContact CG-CD2 3.42Å; F33-F168 VanDerWaalsContact CG-CD2 3.42Å; F33-F168 AromaticContact CG-CE2 3.76Å; F33-F168 HydrophobicContact CG-CE2 3.76Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.47Å; F33-F168 HydrophobicContact CZ-CB 3.74Å; F33-F168 HydrophobicContact CZ-CD2 4.49Å; F33-F168 HydrophobicContact CZ-CG 4.16Å; F33-H169 AromaticContact CE2-NE2 3.94Å; F33-H169 AromaticContact CZ-NE2 3.99Å
34	F	96.1	Very high	92.4	Very high	32 Å²	32	53.3 Å²	53.3	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-82.4	-48.5	-174	-82.4	-94.6	0	0	0	113.7	T30 I31 Y50 K52 V65	T30-F34 HydrophobicContact CG2-CD2 3.99Å; T30-F34 HydrophobicContact CG2-CE2 4.12Å; T30-F34 VanDerWaalsContact O-CD2 3.29Å; T30-F34 WeakPolarHBondContact O-CD2 3.28Å; T30-F34 PolarHBondContact O-N 3.41Å; I31-F34 PolarHBondContact O-N 3.41Å; F34-Y50 HydrophobicContact CB-CD1 4.48Å; F34-Y50 HydrophobicContact CD1-CD1 4.35Å; F34-Y50 HydrophobicContact CD1-CG 4.32Å; F34-Y50 HydrophobicContact CD2-CG 4.17Å; F34-Y50 HydrophobicContact CE1-CG 4.36Å; F34-Y50 HydrophobicContact CE2-CG 4.24Å; F34-Y50 HydrophobicContact CG-CD1 4.21Å; F34-Y50 HydrophobicContact CG-CG 4.22Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; F34-Y50 WeakPolarHBondContact CZ-O 3.32Å; F34-K52 HydrophobicContact CD1-CB 3.95Å; F34-K52 HydrophobicContact CD1-CD 4.38Å; F34-K52 HydrophobicContact CE1-CB 3.35Å; F34-K52 HydrophobicContact CE1-CD 4.41Å; F34-K52 HydrophobicContact CE1-CG 4.41Å; F34-K52 HydrophobicContact CZ-CB 3.93Å; F34-V65 HydrophobicContact CE2-CB 3.62Å; F34-V65 HydrophobicContact CE2-CG1 4.12Å; F34-V65 HydrophobicContact CE2-CG2 3.63Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.61Å
35	Q	94.5	Very high	91.6	Very high	102 Å²	102	54.4 Å²	54.4	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-104.7	-10.7	-167.7	-58.6	-177.9	22.4	0	0	113.4	I31 I37	I31-Q35 HydrophobicContact CG2-CB 4.27Å; I31-Q35 HydrophobicContact CG2-CG 4.45Å; I31-Q35 WeakPolarHBondContact O-CA 2.9Å; I31-Q35 WeakPolarHBondContact O-CB 3.12Å; I31-Q35 PolarHBondContact O-N 2.92Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.9Å; Q35-I37 PolarHBondContact O-N 3.23Å
36	K	95.2	Very high	90.9	Very high	102 Å²	102	58.4 Å²	58.4	44%	0.443	31%	0.305	S	S	.	.	S	Bend	trans	59.4	32.7	-178.4	-51.6	-52.4	-175	-163.4	0	113.4	Q32 F33 D165	Q32-K36 WeakPolarHBondContact O-CA 3.42Å; Q32-K36 WeakPolarHBondContact O-CD 3.48Å; Q32-K36 PolarHBondContact O-N 3.3Å; F33-K36 WeakPolarHBondContact O-CE 3.33Å; F33-K36 PolarHBondContact O-NZ 3.18Å; K36-D165 IonicContact NZ-OD1 3.12Å; K36-D165 PolarHBondContact NZ-OD1 2.85Å; K36-D165 IonicContact NZ-OD2 2.77Å; K36-D165 PolarHBondContact NZ-OD2 2.83Å
37	I	94.2	Very high	90.4	Very high	81 Å²	81	61.6 Å²	61.6	42%	0.415	32%	0.32	S	S	.	.			trans	-128.7	156.7	174.8	66.3	176.1	0	0	0	110.8	I31 Q32 Q35 V39	I31-I37 HydrophobicContact CG2-CD1 4.31Å; I31-I37 HydrophobicContact CG2-CG1 3.75Å; Q32-I37 WeakPolarHBondContact CA-O 3.24Å; Q32-I37 PolarHBondContact OE1-O 3.14Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.9Å; Q35-I37 PolarHBondContact O-N 3.23Å; I37-V39 HydrophobicContact CD1-CG2 4.26Å
38	F	92	Very high	90.3	Very high	83 Å²	83	64.1 Å²	64.1	36%	0.364	33%	0.332	S	S	.	.			trans	-112.2	121.2	170	176.7	-106.9	0	0	0	109.5	A28 P40 A157 K158	A28-F38 HydrophobicContact CB-CD2 4.35Å; A28-F38 HydrophobicContact CB-CE2 4.07Å; F38-P40 HydrophobicContact CE1-CB 3.96Å; F38-A157 HydrophobicContact CD2-CB 4Å; F38-A157 HydrophobicContact CE2-CB 4.23Å; F38-K158 HydrophobicContact CD1-CG 4.46Å; F38-K158 HydrophobicContact CE1-CG 4.48Å
39	V	88.6	Confident	90.2	Very high	66 Å²	66	66.9 Å²	66.9	40%	0.4	35%	0.349	S	S	.	.			trans	-96	112.5	174.6	-176.1	0	0	0	0	107.8	I31 I37	I31-V39 HydrophobicContact CG2-CG2 4.25Å; I37-V39 HydrophobicContact CD1-CG2 4.26Å
40	P	81.7	Confident	90	Very high	98 Å²	98	68.9 Å²	68.9	64%	0.636	36%	0.357	S	S	*	.			trans	-74.4	-30.8	-174.8	28.5	-34	0	0	0	112.9	F38	F38-P40 HydrophobicContact CE1-CB 3.96Å
41	D	82.9	Confident	90	Very high	139 Å²	139	74.3 Å²	74.3	74%	0.743	39%	0.386	S	S	*	.	S	Bend	trans	-73.7	129.4	179.2	-62.6	-42.2	0	0	0	110
42	Y	75.7	Confident	90	Very high	119 Å²	119	75.4 Å²	75.4	47%	0.467	39%	0.389	S	S	.	.			trans	-98.2	116.4	179.4	175.9	-104.1	0	0	0	110.2	G23 P44	G23-Y42 PolarHBondContact N-OH 2.91Å; G23-Y42 VanDerWaalsContact N-OH 3.08Å; Y42-P44 HydrophobicContact CE1-CG 3.97Å
43	D	83.7	Confident	89.9	Confident	134 Å²	134	80.2 Å²	80.2	72%	0.717	41%	0.411	S	S	*	.			trans	-110	128.3	166.3	-167.9	14.8	0	0	0	109	T45	D43-T45 PolarHBondContact O-N 3.26Å
44	P	86.1	Confident	89.8	Confident	68 Å²	68	81 Å²	81	44%	0.442	42%	0.416	S	S	.	.			trans	-57.7	111.9	175.6	-26.6	35.7	0	0	0	112.9	Y42	Y42-P44 HydrophobicContact CE1-CG 3.97Å
45	T	81.7	Confident	89.7	Confident	23 Å²	23	83.5 Å²	83.5	14%	0.141	43%	0.429	C	S	.	.			trans	-72	142.8	174.6	-48.7	0	0	0	0	111.8	S27 D43 A69	S27-T45 PolarHBondContact OG-OG1 3.23Å; D43-T45 PolarHBondContact O-N 3.26Å; T45-A69 VanDerWaalsContact O-CA 3.22Å; T45-A69 WeakPolarHBondContact O-CA 3.38Å; T45-A69 VanDerWaalsContact O-CB 3.23Å; T45-A69 WeakPolarHBondContact O-CB 3.32Å
46	I	81.7	Confident	89.8	Confident	95 Å²	95	78.7 Å²	78.7	49%	0.487	41%	0.406	S	S	.	.	S	Bend	trans	-87.3	-62.6	164.4	-62.2	177.6	0	0	0	108.4	A69 F74 M77	I46-A69 WeakPolarHBondContact O-CA 3.26Å; I46-A69 VanDerWaalsContact O-CB 3.24Å; I46-A69 WeakPolarHBondContact O-CB 3.27Å; I46-A69 PolarHBondContact O-N 2.78Å; I46-F74 HydrophobicContact CG1-CE1 4.26Å; I46-F74 HydrophobicContact CG1-CZ 4.02Å; I46-F74 HydrophobicContact CG2-CD1 4.41Å; I46-F74 HydrophobicContact CG2-CE1 4.13Å; I46-M77 HydrophobicContact CG2-CE 3.68Å; I46-M77 HydrophobicContact CG2-SD 4.2Å; I46-M77 VanDerWaalsContact O-CE 3.28Å; I46-M77 WeakPolarHBondContact O-CE 3.3Å
47	E	87.8	Confident	89.8	Confident	75 Å²	75	77.7 Å²	77.7	35%	0.35	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	151.6	169.9	63.4	-165.7	-141.8	0	0	109.8	L66 D67 M77 Y81	E47-L66 HydrophobicContact CB-CD1 4.36Å; E47-D67 VanDerWaalsContact CA-O 3.28Å; E47-D67 WeakPolarHBondContact CA-O 3.33Å; E47-M77 HydrophobicContact CB-CE 4.24Å; E47-M77 WeakPolarHBondContact OE2-CE 3.34Å; E47-Y81 HydrophobicContact CB-CE2 4.5Å; E47-Y81 PolarHBondContact OE1-OH 2.8Å; E47-Y81 WeakPolarHBondContact OE2-CE2 3.37Å; E47-Y81 PolarHBondContact OE2-OH 3.27Å
48	D	93	Very high	89.8	Confident	74 Å²	74	80.8 Å²	80.8	40%	0.396	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.5	168.8	-78.3	-57.5	0	0	0	109.4	Y50 D67	D48-Y50 HydrophobicContact CB-CD2 4.29Å; D48-Y50 HydrophobicContact CB-CE2 3.43Å; D48-Y50 VanDerWaalsContact CB-CE2 3.43Å; D48-D67 HydrophobicContact CB-CB 4.45Å; D48-D67 PolarHBondContact N-O 3.01Å; D48-D67 VanDerWaalsContact N-O 3.09Å; D48-D67 PolarHBondContact O-N 2.93Å
49	S	93.6	Very high	89.9	Confident	76 Å²	76	81.2 Å²	81.2	53%	0.531	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.6	177	172.9	0	0	0	0	110.7	D64 V65	S49-D64 PolarHBondContact OG-OD1 3.29Å; S49-V65 WeakPolarHBondContact CA-O 3.17Å
50	Y	95.6	Very high	90.2	Very high	46 Å²	46	80.4 Å²	80.4	18%	0.18	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.2	-178.5	-58.5	-96.6	0	0	0	110.7	T30 F34 D48 V65	T30-Y50 HydrophobicContact CG2-CD2 3.49Å; T30-Y50 VanDerWaalsContact CG2-CD2 3.49Å; T30-Y50 HydrophobicContact CG2-CE2 3.62Å; T30-Y50 HydrophobicContact CG2-CG 4.25Å; F34-Y50 HydrophobicContact CB-CD1 4.48Å; F34-Y50 HydrophobicContact CD1-CD1 4.35Å; F34-Y50 HydrophobicContact CD1-CG 4.32Å; F34-Y50 HydrophobicContact CD2-CG 4.17Å; F34-Y50 HydrophobicContact CE1-CG 4.36Å; F34-Y50 HydrophobicContact CE2-CG 4.24Å; F34-Y50 HydrophobicContact CG-CD1 4.21Å; F34-Y50 HydrophobicContact CG-CG 4.22Å; F34-Y50 HydrophobicContact CZ-CG 4.36Å; F34-Y50 WeakPolarHBondContact CZ-O 3.32Å; D48-Y50 HydrophobicContact CB-CD2 4.29Å; D48-Y50 HydrophobicContact CB-CE2 3.43Å; D48-Y50 VanDerWaalsContact CB-CE2 3.43Å; Y50-V65 PolarHBondContact N-O 3.28Å; Y50-V65 PolarHBondContact O-N 2.63Å
51	L	96.1	Very high	90.9	Very high	115 Å²	115	75.7 Å²	75.7	60%	0.602	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.6	176.9	-70.2	167.7	0	0	0	111.6	I62 L63 D64	L51-I62 HydrophobicContact CD2-CG2 3.89Å; L51-L63 CarbonylContact C-O 3.55Å; L51-L63 WeakPolarHBondContact CA-O 3.42Å; L51-D64 HydrophobicContact CD2-CB 3.54Å
52	K	94.7	Very high	91.5	Very high	52 Å²	52	70.6 Å²	70.6	23%	0.226	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.3	177.8	-173.8	175.9	-170.8	75.4	0	111.6	F33 F34 L63	F33-K52 HydrophobicContact CD1-CD 4.42Å; F33-K52 HydrophobicContact CE1-CD 3.79Å; F33-K52 HydrophobicContact CE2-CD 4.43Å; F33-K52 HydrophobicContact CZ-CD 3.8Å; F34-K52 HydrophobicContact CD1-CB 3.95Å; F34-K52 HydrophobicContact CD1-CD 4.38Å; F34-K52 HydrophobicContact CE1-CB 3.35Å; F34-K52 HydrophobicContact CE1-CD 4.41Å; F34-K52 HydrophobicContact CE1-CG 4.41Å; F34-K52 HydrophobicContact CZ-CB 3.93Å; K52-L63 PolarHBondContact N-O 3.4Å; K52-L63 PolarHBondContact O-N 3.06Å
53	H	95	Very high	92.6	Very high	104 Å²	104	65 Å²	65	48%	0.481	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.9	166	-60.7	84.7	0	0	0	108.4	W60	H53-W60 HydrophobicContact CB-CZ3 4.25Å
54	T	95	Very high	93.2	Very high	17 Å²	17	60.2 Å²	60.2	10%	0.104	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.1	-179.9	-171.2	0	0	0	0	111.1	I56 W60 A61 L63 H169	T54-I56 HydrophobicContact CG2-CD1 3.74Å; T54-I56 HydrophobicContact CG2-CG1 3.91Å; T54-W60 WeakPolarHBondContact O-CA 3.34Å; T54-A61 PolarHBondContact N-O 3.12Å; T54-A61 PolarHBondContact O-N 3.12Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.81Å; T54-H169 PolarHBondContact OG1-NE2 2.94Å
55	E	95.5	Very high	93.8	Very high	85 Å²	85	57 Å²	57	40%	0.397	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118	173.5	-174.2	172.3	-154.3	0	0	109.2	N58 W60	E55-N58 WeakPolarHBondContact OE1-CA 3.45Å; E55-W60 HydrophobicContact CB-CD2 4.19Å; E55-W60 HydrophobicContact CB-CE3 4.48Å; E55-W60 HydrophobicContact CB-CZ2 4.39Å
56	I	96.1	Very high	94.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.4	178.7	-58.1	163.3	0	0	0	107.2	T54 N58 Q59 L63 H169 V172 R173 R176	T54-I56 HydrophobicContact CG2-CD1 3.74Å; T54-I56 HydrophobicContact CG2-CG1 3.91Å; I56-N58 VanDerWaalsContact C-N 3.3Å; I56-N58 PolarHBondContact O-N 3.4Å; I56-Q59 PolarHBondContact N-O 3.36Å; I56-Q59 VanDerWaalsContact N-O 3.09Å; I56-Q59 PolarHBondContact O-N 2.72Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; I56-L63 HydrophobicContact CD1-CD1 4.3Å; I56-L63 HydrophobicContact CD1-CD2 4.33Å; I56-H169 HydrophobicContact CD1-CB 4.32Å; I56-H169 HydrophobicContact CG1-CB 4.28Å; I56-H169 HydrophobicContact CG2-CB 4.24Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.75Å; I56-R173 HydrophobicContact CG2-CG 4.39Å; I56-R176 PolarHBondContact O-NH1 2.72Å
57	D	95.3	Very high	95.2	Very high	80 Å²	80	52.4 Å²	52.4	43%	0.428	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	48.2	-177.6	-47.8	-34.6	0	0	0	112	Q59 R173	D57-Q59 PolarHBondContact O-N 2.87Å; D57-Q59 VanDerWaalsContact O-N 3.15Å; D57-R173 IonicContact OD1-CZ 3.76Å; D57-R173 IonicContact OD1-NE 2.68Å; D57-R173 PolarHBondContact OD1-NE 2.88Å; D57-R173 VanDerWaalsContact OD1-NE 3.09Å; D57-R173 IonicContact OD1-NH2 2.61Å; D57-R173 PolarHBondContact OD1-NH2 2.9Å; D57-R173 WeakPolarHBondContact OD2-CG 3.23Å; D57-R173 IonicContact OD2-CZ 2.75Å; D57-R173 IonicContact OD2-NE 3.36Å; D57-R173 PolarHBondContact OD2-NE 3.25Å; D57-R173 IonicContact OD2-NH2 2.69Å
58	N	93.4	Very high	95.5	Very high	146 Å²	146	48.9 Å²	48.9	78%	0.781	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	22.7	179.5	-55.9	41.8	0	0	0	113.9	E55 I56	E55-N58 WeakPolarHBondContact OE1-CA 3.45Å; I56-N58 VanDerWaalsContact C-N 3.3Å; I56-N58 PolarHBondContact O-N 3.4Å
59	Q	94.3	Very high	95.4	Very high	92 Å²	92	45.4 Å²	45.4	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112.1	176.7	-66.2	179.3	43.4	0	0	109.5	I56 D57 R176	I56-Q59 PolarHBondContact N-O 3.36Å; I56-Q59 VanDerWaalsContact N-O 3.09Å; I56-Q59 PolarHBondContact O-N 2.72Å; I56-Q59 VanDerWaalsContact O-N 3.12Å; D57-Q59 PolarHBondContact O-N 2.87Å; D57-Q59 VanDerWaalsContact O-N 3.15Å; Q59-R176 PolarHBondContact O-NH2 3.01Å
60	W	95	Very high	95	Very high	49 Å²	49	42.2 Å²	42.2	19%	0.186	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	137.9	171.8	-77	93.8	0	0	0	111.5	V6 P7 L11 H53 T54 E55	V6-W60 HydrophobicContact CG1-CE3 4.24Å; V6-W60 HydrophobicContact CG1-CZ3 4.37Å; V6-W60 HydrophobicContact CG2-CE3 4.5Å; V6-W60 HydrophobicContact CG2-CH2 3.7Å; V6-W60 HydrophobicContact CG2-CZ2 4.15Å; V6-W60 HydrophobicContact CG2-CZ3 3.9Å; P7-W60 HydrophobicContact CG-CG 4.42Å; L11-W60 HydrophobicContact CD1-CB 4.15Å; L11-W60 HydrophobicContact CD2-CB 3.56Å; H53-W60 HydrophobicContact CB-CZ3 4.25Å; T54-W60 WeakPolarHBondContact O-CA 3.34Å; E55-W60 HydrophobicContact CB-CD2 4.19Å; E55-W60 HydrophobicContact CB-CE3 4.48Å; E55-W60 HydrophobicContact CB-CZ2 4.39Å
61	A	95.9	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.5	176.2	0	0	0	0	0	110.6	P12 Y14 T54	P12-A61 HydrophobicContact CG-CB 4.3Å; P12-A61 WeakPolarHBondContact O-CA 3.37Å; Y14-A61 HydrophobicContact CD2-CB 3.8Å; Y14-A61 HydrophobicContact CE2-CB 3.59Å; T54-A61 PolarHBondContact N-O 3.12Å; T54-A61 PolarHBondContact O-N 3.12Å
62	I	96.8	Very high	94.2	Very high	32 Å²	32	41.8 Å²	41.8	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.9	168.6	-57.2	173.3	0	0	0	107	L11 P12 T13 Y14 L51	L11-I62 HydrophobicContact CB-CD1 4.15Å; L11-I62 HydrophobicContact CB-CG1 4.01Å; L11-I62 HydrophobicContact CD1-CG1 4.27Å; P12-I62 PolarHBondContact O-N 2.84Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.29Å; T13-I62 WeakPolarHBondContact CA-O 3.33Å; T13-I62 HydrophobicContact CG2-CB 4.15Å; T13-I62 HydrophobicContact CG2-CG2 4.1Å; Y14-I62 PolarHBondContact N-O 2.95Å; L51-I62 HydrophobicContact CD2-CG2 3.89Å
63	L	97.9	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.4	168.8	-54.2	-173.4	0	0	0	108.3	Y14 L16 F33 L51 K52 T54 I56 V65 V172	Y14-L63 HydrophobicContact CD2-CD2 4.07Å; L16-L63 HydrophobicContact CD1-CB 4.44Å; L16-L63 HydrophobicContact CD1-CD1 4.16Å; L16-L63 HydrophobicContact CD1-CD2 4.14Å; L16-L63 HydrophobicContact CD1-CG 4.47Å; F33-L63 HydrophobicContact CE1-CD1 3.94Å; F33-L63 HydrophobicContact CZ-CD1 3.8Å; L51-L63 CarbonylContact C-O 3.55Å; L51-L63 WeakPolarHBondContact CA-O 3.42Å; K52-L63 PolarHBondContact N-O 3.4Å; K52-L63 PolarHBondContact O-N 3.06Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.81Å; I56-L63 HydrophobicContact CD1-CD1 4.3Å; I56-L63 HydrophobicContact CD1-CD2 4.33Å; L63-V65 HydrophobicContact CB-CG2 4.06Å; L63-V172 HydrophobicContact CD1-CG2 4.36Å; L63-V172 HydrophobicContact CD2-CG2 3.33Å; L63-V172 HydrophobicContact CG-CG2 4.48Å
64	D	97.6	Very high	93.8	Very high	35 Å²	35	45 Å²	45	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	94.7	169.8	-179.8	3	0	0	0	106.9	T13 Y14 K15 L16 S49 L51	T13-D64 HydrophobicContact CG2-CB 4.07Å; Y14-D64 PolarHBondContact O-N 3.2Å; K15-D64 CarbonylContact C-O 3.43Å; K15-D64 VanDerWaalsContact CA-O 3.27Å; K15-D64 WeakPolarHBondContact CA-O 3.37Å; K15-D64 HydrophobicContact CG-CB 4.18Å; L16-D64 PolarHBondContact N-O 2.9Å; S49-D64 PolarHBondContact OG-OD1 3.29Å; L51-D64 HydrophobicContact CD2-CB 3.54Å
65	V	98.3	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122	-173.8	-178.6	0	0	0	0	109	L16 V18 T30 F34 S49 Y50 L63 F168	L16-V65 HydrophobicContact CB-CG2 4.22Å; L16-V65 HydrophobicContact CD1-CG2 4.24Å; L16-V65 HydrophobicContact CG-CG2 4.48Å; L16-V65 CarbonylContact O-C 2.98Å; L16-V65 WeakPolarHBondContact O-CA 3.47Å; V18-V65 HydrophobicContact CG2-CG1 3.98Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; F34-V65 HydrophobicContact CE2-CB 3.62Å; F34-V65 HydrophobicContact CE2-CG1 4.12Å; F34-V65 HydrophobicContact CE2-CG2 3.63Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.61Å; S49-V65 WeakPolarHBondContact CA-O 3.17Å; Y50-V65 PolarHBondContact N-O 3.28Å; Y50-V65 PolarHBondContact O-N 2.63Å; L63-V65 HydrophobicContact CB-CG2 4.06Å; V65-F168 HydrophobicContact CG1-CD1 4.37Å; V65-F168 HydrophobicContact CG1-CE1 3.64Å; V65-F168 HydrophobicContact CG1-CZ 4.46Å; V65-F168 HydrophobicContact CG2-CD1 4.15Å; V65-F168 HydrophobicContact CG2-CE1 4.22Å
66	L	97.4	Very high	93.2	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.6	172.6	-173	72	0	0	0	110	L16 V17 V18 E47 T68 Y81	L16-L66 PolarHBondContact O-N 3.16Å; V17-L66 HydrophobicContact CG1-CD2 4.38Å; V17-L66 HydrophobicContact CG2-CB 4.45Å; V18-L66 PolarHBondContact N-O 3.24Å; E47-L66 HydrophobicContact CB-CD1 4.36Å; L66-T68 HydrophobicContact CD2-CG2 4.08Å; L66-T68 HydrophobicContact CG-CG2 4.12Å; L66-Y81 HydrophobicContact CD2-CD1 3.32Å; L66-Y81 HydrophobicContact CD2-CD2 3.49Å; L66-Y81 VanDerWaalsContact CD2-CD2 3.49Å; L66-Y81 HydrophobicContact CD2-CE1 3.9Å; L66-Y81 HydrophobicContact CD2-CE2 3.99Å; L66-Y81 HydrophobicContact CD2-CG 3.14Å
67	D	95.2	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.2	162.8	-171.9	28.1	0	0	0	109.4	K26 S27 T30 E47 D48	K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.26Å; S27-D67 WeakPolarHBondContact CA-OD2 3.34Å; S27-D67 WeakPolarHBondContact CB-OD2 3.45Å; S27-D67 PolarHBondContact N-OD2 3.01Å; S27-D67 PolarHBondContact OG-OD2 3Å; T30-D67 HydrophobicContact CG2-CB 4.32Å; E47-D67 VanDerWaalsContact CA-O 3.28Å; E47-D67 WeakPolarHBondContact CA-O 3.33Å; D48-D67 HydrophobicContact CB-CB 4.45Å; D48-D67 PolarHBondContact N-O 3.01Å; D48-D67 VanDerWaalsContact N-O 3.09Å; D48-D67 PolarHBondContact O-N 2.93Å
68	T	93.4	Very high	92.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.7	-172.7	68.6	0	0	0	0	112.2	V17 V18 K26 L66 G70 Y81	V17-T68 HydrophobicContact CG1-CG2 3.6Å; V18-T68 PolarHBondContact O-OG1 2.85Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; L66-T68 HydrophobicContact CD2-CG2 4.08Å; L66-T68 HydrophobicContact CG-CG2 4.12Å; T68-G70 PolarHBondContact O-N 3.35Å; T68-Y81 HydrophobicContact CG2-CD2 4.3Å
69	A	91.2	Very high	92.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.			trans	-57.6	134	171.7	0	0	0	0	0	112.5	T45 I46 F74 R78	T45-A69 VanDerWaalsContact O-CA 3.22Å; T45-A69 WeakPolarHBondContact O-CA 3.38Å; T45-A69 VanDerWaalsContact O-CB 3.23Å; T45-A69 WeakPolarHBondContact O-CB 3.32Å; I46-A69 WeakPolarHBondContact O-CA 3.26Å; I46-A69 VanDerWaalsContact O-CB 3.24Å; I46-A69 WeakPolarHBondContact O-CB 3.27Å; I46-A69 PolarHBondContact O-N 2.78Å; A69-F74 HydrophobicContact CB-CB 3.58Å; A69-F74 HydrophobicContact CB-CD2 3.44Å; A69-F74 VanDerWaalsContact CB-CD2 3.44Å; A69-F74 HydrophobicContact CB-CE2 4.26Å; A69-F74 HydrophobicContact CB-CG 3.63Å; A69-R78 WeakPolarHBondContact O-CD 3.33Å; A69-R78 PolarHBondContact O-NH1 2.85Å
70	G	85.6	Confident	92.7	Very high	9 Å²	9	40.2 Å²	40.2	9%	0.093	21%	0.207	C	C	.	.			trans	-81.8	-16.6	172	0	0	0	0	0	114.7	G20 G22 T68 R78	G20-G70 WeakPolarHBondContact O-CA 3.17Å; G22-G70 PolarHBondContact N-O 3.38Å; T68-G70 PolarHBondContact O-N 3.35Å; G70-R78 PolarHBondContact O-NH1 2.94Å; G70-R78 VanDerWaalsContact O-NH1 3.09Å
71	Q	88.6	Confident	92.7	Very high	72 Å²	72	39.4 Å²	39.4	34%	0.336	20%	0.204	S	C	.	.	S	Bend	trans	-80.9	148.7	-173	-49.4	-63.7	5.9	0	0	112.5	E73 F74 R78	Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 VanDerWaalsContact CB-OE2 3.25Å; Q71-E73 WeakPolarHBondContact CB-OE2 3.25Å; Q71-E73 PolarHBondContact O-N 3.48Å; Q71-F74 HydrophobicContact CB-CD2 4.01Å; Q71-F74 HydrophobicContact CB-CE2 4.32Å; Q71-F74 PolarHBondContact O-N 3.1Å; Q71-R78 PolarHBondContact O-NH1 3.36Å; Q71-R78 PolarHBondContact O-NH2 3.27Å
72	E	86.8	Confident	92.7	Very high	81 Å²	81	39.4 Å²	39.4	38%	0.379	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-69.7	-28.5	-169.9	-169.4	61.9	-176.3	0	0	113.3	F74 S75 R78 R105	E72-F74 PolarHBondContact O-N 2.91Å; E72-F74 VanDerWaalsContact O-N 3.16Å; E72-S75 WeakPolarHBondContact O-CB 3.23Å; E72-S75 PolarHBondContact O-N 2.95Å; E72-S75 PolarHBondContact O-OG 3.01Å; E72-R78 IonicContact OE2-NH2 2.97Å; E72-R78 PolarHBondContact OE2-NH2 3.42Å; E72-R105 VanDerWaalsContact CD-NH1 3.27Å; E72-R105 IonicContact OE1-CZ 3.01Å; E72-R105 IonicContact OE1-NH1 2.64Å; E72-R105 PolarHBondContact OE1-NH1 3.4Å; E72-R105 IonicContact OE1-NH2 2.81Å; E72-R105 PolarHBondContact OE1-NH2 3.2Å; E72-R105 IonicContact OE2-CZ 3.71Å; E72-R105 IonicContact OE2-NH1 3.84Å; E72-R105 PolarHBondContact OE2-NH1 2.93Å
73	E	90	Very high	92.6	Very high	155 Å²	155	44.8 Å²	44.8	72%	0.724	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-61.4	-23.1	177.7	-59.8	76.3	-166.5	0	0	112.1	Q71	Q71-E73 VanDerWaalsContact C-N 3.29Å; Q71-E73 VanDerWaalsContact CB-OE2 3.25Å; Q71-E73 WeakPolarHBondContact CB-OE2 3.25Å; Q71-E73 PolarHBondContact O-N 3.48Å
74	F	89.7	Confident	92.5	Very high	67 Å²	67	48.5 Å²	48.5	29%	0.294	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-96	13.9	177	-58.7	-74.5	0	0	0	113.5	I46 A69 Q71 E72 A76 M77 R78	I46-F74 HydrophobicContact CG1-CE1 4.26Å; I46-F74 HydrophobicContact CG1-CZ 4.02Å; I46-F74 HydrophobicContact CG2-CD1 4.41Å; I46-F74 HydrophobicContact CG2-CE1 4.13Å; A69-F74 HydrophobicContact CB-CB 3.58Å; A69-F74 HydrophobicContact CB-CD2 3.44Å; A69-F74 VanDerWaalsContact CB-CD2 3.44Å; A69-F74 HydrophobicContact CB-CE2 4.26Å; A69-F74 HydrophobicContact CB-CG 3.63Å; Q71-F74 HydrophobicContact CB-CD2 4.01Å; Q71-F74 HydrophobicContact CB-CE2 4.32Å; Q71-F74 PolarHBondContact O-N 3.1Å; E72-F74 PolarHBondContact O-N 2.91Å; E72-F74 VanDerWaalsContact O-N 3.16Å; F74-A76 PolarHBondContact O-N 3.39Å; F74-M77 HydrophobicContact CB-CE 4.39Å; F74-M77 HydrophobicContact CD1-CE 4.28Å; F74-M77 WeakPolarHBondContact O-CB 2.83Å; F74-M77 PolarHBondContact O-N 2.92Å; F74-M77 VanDerWaalsContact O-N 3.14Å; F74-R78 PolarHBondContact O-N 3.09Å
75	S	89	Confident	92.5	Very high	39 Å²	39	46.9 Å²	46.9	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-55	-45	-178.3	51.9	0	0	0	0	113.9	E72 M77 R78 E79	E72-S75 WeakPolarHBondContact O-CB 3.23Å; E72-S75 PolarHBondContact O-N 2.95Å; E72-S75 PolarHBondContact O-OG 3.01Å; S75-M77 VanDerWaalsContact C-N 3.29Å; S75-M77 PolarHBondContact O-N 2.85Å; S75-R78 WeakPolarHBondContact O-CB 3.22Å; S75-R78 PolarHBondContact O-N 2.86Å; S75-E79 PolarHBondContact O-N 2.92Å
76	A	90.5	Very high	92.5	Very high	74 Å²	74	49.7 Å²	49.7	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-61.1	-38.3	178.3	0	0	0	0	0	112.6	F74 E79 Q80	F74-A76 PolarHBondContact O-N 3.39Å; A76-E79 PolarHBondContact O-N 2.9Å; A76-Q80 PolarHBondContact O-N 3.09Å
77	M	90.7	Very high	92.6	Very high	44 Å²	44	48.7 Å²	48.7	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-43.5	177.3	-161.2	179.6	74.6	0	0	111	I46 E47 F74 S75 E79 Q80 Y81	I46-M77 HydrophobicContact CG2-CE 3.68Å; I46-M77 HydrophobicContact CG2-SD 4.2Å; I46-M77 VanDerWaalsContact O-CE 3.28Å; I46-M77 WeakPolarHBondContact O-CE 3.3Å; E47-M77 HydrophobicContact CB-CE 4.24Å; E47-M77 WeakPolarHBondContact OE2-CE 3.34Å; F74-M77 HydrophobicContact CB-CE 4.39Å; F74-M77 HydrophobicContact CD1-CE 4.28Å; F74-M77 WeakPolarHBondContact O-CB 2.83Å; F74-M77 PolarHBondContact O-N 2.92Å; F74-M77 VanDerWaalsContact O-N 3.14Å; S75-M77 VanDerWaalsContact C-N 3.29Å; S75-M77 PolarHBondContact O-N 2.85Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.18Å; M77-Q80 WeakPolarHBondContact O-CB 3.48Å; M77-Q80 PolarHBondContact O-N 3.12Å; M77-Q80 VanDerWaalsContact O-N 3.12Å; M77-Y81 HydrophobicContact CE-CE2 4.03Å; M77-Y81 HydrophobicContact CG-CD2 4.41Å; M77-Y81 HydrophobicContact CG-CE2 3.59Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.31Å; M77-Y81 PolarHBondContact O-N 2.85Å; M77-Y81 HydrophobicContact SD-CE2 4.27Å
78	R	90.3	Very high	92.7	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-41.5	173.3	-70.8	-171.8	-67.6	-130.4	7	112.6	A69 G70 Q71 E72 F74 S75 Q80 Y81 M82	A69-R78 WeakPolarHBondContact O-CD 3.33Å; A69-R78 PolarHBondContact O-NH1 2.85Å; G70-R78 PolarHBondContact O-NH1 2.94Å; G70-R78 VanDerWaalsContact O-NH1 3.09Å; Q71-R78 PolarHBondContact O-NH1 3.36Å; Q71-R78 PolarHBondContact O-NH2 3.27Å; E72-R78 IonicContact OE2-NH2 2.97Å; E72-R78 PolarHBondContact OE2-NH2 3.42Å; F74-R78 PolarHBondContact O-N 3.09Å; S75-R78 WeakPolarHBondContact O-CB 3.22Å; S75-R78 PolarHBondContact O-N 2.86Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 2.83Å; R78-Y81 PolarHBondContact O-N 2.98Å; R78-M82 WeakPolarHBondContact O-CG 3.25Å; R78-M82 PolarHBondContact O-N 3.13Å
79	E	93.2	Very high	93	Very high	48 Å²	48	48.7 Å²	48.7	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-37.6	177.1	-73	-165.8	-161	0	0	112.2	S75 A76 M77 Y81 M82 R83 L109 R112 V113	S75-E79 PolarHBondContact O-N 2.92Å; A76-E79 PolarHBondContact O-N 2.9Å; M77-E79 VanDerWaalsContact C-N 3.31Å; M77-E79 PolarHBondContact O-N 3.18Å; E79-Y81 VanDerWaalsContact C-N 3.32Å; E79-Y81 PolarHBondContact O-N 3.43Å; E79-M82 PolarHBondContact O-N 3.29Å; E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E79-L109 HydrophobicContact CG-CD1 4.03Å; E79-L109 HydrophobicContact CG-CD2 4.13Å; E79-L109 HydrophobicContact CG-CG 4.38Å; E79-R112 IonicContact OE1-NH2 2.72Å; E79-R112 PolarHBondContact OE1-NH2 3.39Å; E79-R112 VanDerWaalsContact OE1-NH2 3.1Å; E79-R112 IonicContact OE2-NH2 3.24Å; E79-V113 HydrophobicContact CB-CG2 4.4Å; E79-V113 HydrophobicContact CG-CG2 4.27Å
80	Q	94.7	Very high	93.3	Very high	110 Å²	110	48.7 Å²	48.7	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-43.3	174.2	179.1	175.3	-47.9	0	0	111.5	A76 M77 R78 R83	A76-Q80 PolarHBondContact O-N 3.09Å; M77-Q80 WeakPolarHBondContact O-CB 3.48Å; M77-Q80 PolarHBondContact O-N 3.12Å; M77-Q80 VanDerWaalsContact O-N 3.12Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 2.83Å; Q80-R83 WeakPolarHBondContact O-CB 3.3Å; Q80-R83 PolarHBondContact O-N 2.92Å; Q80-R83 VanDerWaalsContact O-N 3.16Å
81	Y	93.4	Very high	94	Very high	32 Å²	32	48.3 Å²	48.3	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-34.1	177.2	-60.7	-45.5	0	0	0	113.6	E47 L66 T68 M77 R78 E79 R83 T84 G85	E47-Y81 HydrophobicContact CB-CE2 4.5Å; E47-Y81 PolarHBondContact OE1-OH 2.8Å; E47-Y81 WeakPolarHBondContact OE2-CE2 3.37Å; E47-Y81 PolarHBondContact OE2-OH 3.27Å; L66-Y81 HydrophobicContact CD2-CD1 3.32Å; L66-Y81 HydrophobicContact CD2-CD2 3.49Å; L66-Y81 VanDerWaalsContact CD2-CD2 3.49Å; L66-Y81 HydrophobicContact CD2-CE1 3.9Å; L66-Y81 HydrophobicContact CD2-CE2 3.99Å; L66-Y81 HydrophobicContact CD2-CG 3.14Å; T68-Y81 HydrophobicContact CG2-CD2 4.3Å; M77-Y81 HydrophobicContact CE-CE2 4.03Å; M77-Y81 HydrophobicContact CG-CD2 4.41Å; M77-Y81 HydrophobicContact CG-CE2 3.59Å; M77-Y81 VanDerWaalsContact O-CD2 3.23Å; M77-Y81 WeakPolarHBondContact O-CD2 3.31Å; M77-Y81 PolarHBondContact O-N 2.85Å; M77-Y81 HydrophobicContact SD-CE2 4.27Å; R78-Y81 PolarHBondContact O-N 2.98Å; E79-Y81 VanDerWaalsContact C-N 3.32Å; E79-Y81 PolarHBondContact O-N 3.43Å; Y81-R83 PolarHBondContact O-N 3.11Å; Y81-T84 PolarHBondContact O-N 3.43Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3Å; Y81-G85 PolarHBondContact O-N 2.95Å
82	M	96.2	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-32.2	170.8	-69.8	172.7	-175.6	0	0	112.1	V19 R78 E79 T84 F88 F106 L109 I110 V113 K114	V19-M82 HydrophobicContact CB-CE 4.36Å; V19-M82 HydrophobicContact CG1-CE 3.91Å; R78-M82 WeakPolarHBondContact O-CG 3.25Å; R78-M82 PolarHBondContact O-N 3.13Å; E79-M82 PolarHBondContact O-N 3.29Å; M82-T84 VanDerWaalsContact C-N 3.34Å; M82-T84 PolarHBondContact O-N 2.63Å; M82-F88 HydrophobicContact CB-CE1 4.09Å; M82-F88 HydrophobicContact CB-CZ 4.16Å; M82-F88 HydrophobicContact CG-CD1 4.46Å; M82-F88 HydrophobicContact CG-CE1 3.76Å; M82-F88 HydrophobicContact CG-CZ 4.29Å; M82-F88 WeakPolarHBondContact O-CZ 3.33Å; M82-F106 HydrophobicContact CE-CD1 4.08Å; M82-L109 HydrophobicContact CE-CD2 4.02Å; M82-L109 HydrophobicContact CE-CG 4.41Å; M82-L109 HydrophobicContact SD-CB 4.45Å; M82-L109 HydrophobicContact SD-CD2 3.85Å; M82-L109 HydrophobicContact SD-CG 3.73Å; M82-I110 HydrophobicContact CE-CG1 4.1Å; M82-I110 HydrophobicContact CG-CG1 4.14Å; M82-I110 HydrophobicContact SD-CG1 3.92Å; M82-V113 HydrophobicContact CB-CB 4.18Å; M82-V113 HydrophobicContact CB-CG1 3.76Å; M82-K114 WeakPolarHBondContact O-CE 3.22Å; M82-K114 PolarHBondContact O-NZ 2.93Å
83	R	96.1	Very high	95	Very high	144 Å²	144	41.1 Å²	41.1	54%	0.543	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-40.7	174.3	-66.9	178.3	-168.2	122.5	8.6	111.9	E79 Q80 Y81 V113 K114	E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.1Å; Q80-R83 WeakPolarHBondContact O-CB 3.3Å; Q80-R83 PolarHBondContact O-N 2.92Å; Q80-R83 VanDerWaalsContact O-N 3.16Å; Y81-R83 PolarHBondContact O-N 3.11Å; R83-V113 HydrophobicContact CB-CG1 4.18Å; R83-V113 HydrophobicContact CG-CG1 3.31Å; R83-K114 PolarHBondContact O-NZ 3.06Å
84	T	95.2	Very high	95.5	Very high	78 Å²	78	33.8 Å²	33.8	48%	0.479	18%	0.175	S	C	.	.	H	α-helix	trans	-93.8	-17.5	-172.1	56	0	0	0	0	115.6	Y81 M82	Y81-T84 PolarHBondContact O-N 3.43Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3Å; M82-T84 VanDerWaalsContact C-N 3.34Å; M82-T84 PolarHBondContact O-N 2.63Å
85	G	97.6	Very high	95.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	17%	0.168	C	C	.	.			trans	-70.6	136.9	-176.7	0	0	0	0	0	114.3	K15 Y81 K114	K15-G85 CarbonylContact O-C 3.51Å; Y81-G85 PolarHBondContact O-N 2.95Å; G85-K114 WeakPolarHBondContact O-CE 3.44Å; G85-K114 PolarHBondContact O-NZ 3.17Å
86	D	98	Very high	96.3	Very high	60 Å²	60	32.5 Å²	32.5	32%	0.321	17%	0.169	S	C	.	.	S	Bend	trans	-80	-22.3	176.4	-63.3	-45.6	0	0	0	112.7	K15 F119 I175	K15-D86 PolarHBondContact N-OD2 3.3Å; K15-D86 PolarHBondContact O-N 3.36Å; D86-F119 VanDerWaalsContact O-CE1 3.25Å; D86-F119 WeakPolarHBondContact O-CE1 3.42Å; D86-I175 HydrophobicContact CB-CD1 4.03Å; D86-I175 WeakPolarHBondContact O-CG1 3.23Å
87	G	98.5	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	164.9	172.5	0	0	0	0	0	112.8	K15 V17 P120	K15-G87 PolarHBondContact O-N 3Å; V17-G87 PolarHBondContact N-O 3.06Å; G87-P120 CarbonylContact C-O 3.59Å; G87-P120 WeakPolarHBondContact CA-O 3.38Å
88	F	98.8	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.8	-171.7	-56.2	-91.1	0	0	0	113.7	V17 V19 M82 I110 F119 P120 M121 I122	V17-F88 HydrophobicContact CB-CD1 3.67Å; V17-F88 HydrophobicContact CB-CE1 3.67Å; V17-F88 HydrophobicContact CG1-CD1 4.24Å; V17-F88 HydrophobicContact CG1-CE1 4.17Å; V17-F88 HydrophobicContact CG2-CD1 4.44Å; V17-F88 HydrophobicContact CG2-CE1 3.98Å; V17-F88 VanDerWaalsContact O-CA 3.3Å; V17-F88 WeakPolarHBondContact O-CA 3.33Å; V19-F88 HydrophobicContact CG1-CD1 4.38Å; M82-F88 HydrophobicContact CB-CE1 4.09Å; M82-F88 HydrophobicContact CB-CZ 4.16Å; M82-F88 HydrophobicContact CG-CD1 4.46Å; M82-F88 HydrophobicContact CG-CE1 3.76Å; M82-F88 HydrophobicContact CG-CZ 4.29Å; M82-F88 WeakPolarHBondContact O-CZ 3.33Å; F88-I110 HydrophobicContact CB-CD1 3.76Å; F88-I110 HydrophobicContact CD1-CD1 3.99Å; F88-I110 HydrophobicContact CD1-CG1 4.16Å; F88-I110 HydrophobicContact CD2-CD1 4.08Å; F88-I110 HydrophobicContact CD2-CG1 4.25Å; F88-I110 HydrophobicContact CD2-CG2 3.53Å; F88-I110 HydrophobicContact CE1-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG1 4.5Å; F88-I110 HydrophobicContact CE2-CG2 3.54Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4.09Å; F88-I110 HydrophobicContact CG-CG2 4.22Å; F88-I110 HydrophobicContact CZ-CG2 4.26Å; F88-F119 AromaticContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CE1 4.04Å; F88-F119 AromaticContact CE2-CD1 3.55Å; F88-F119 HydrophobicContact CE2-CD1 3.55Å; F88-F119 AromaticContact CE2-CE1 3.49Å; F88-F119 HydrophobicContact CE2-CE1 3.49Å; F88-F119 VanDerWaalsContact CE2-CE1 3.49Å; F88-P120 PolarHBondContact N-O 2.86Å; F88-M121 HydrophobicContact CB-CG 4.14Å; F88-M121 HydrophobicContact CD2-CG 4.24Å; F88-M121 CarbonylContact O-C 3.57Å; F88-M121 VanDerWaalsContact O-CA 3.27Å; F88-M121 WeakPolarHBondContact O-CA 3.4Å; F88-I122 PolarHBondContact O-N 2.86Å
89	L	98.9	Very high	97.4	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.8	159.6	-63.7	176.4	0	0	0	107.6	V17 V18 V19 V91 I122 V124 A167 F168 L171	V17-L89 PolarHBondContact O-N 3.16Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.28Å; V19-L89 PolarHBondContact N-O 2.93Å; L89-V91 HydrophobicContact CB-CG2 4.28Å; L89-I122 HydrophobicContact CD2-CB 4.03Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-V124 HydrophobicContact CB-CG2 4.12Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; L89-V124 HydrophobicContact CG-CG2 4.43Å; L89-A167 HydrophobicContact CD2-CB 4.42Å; L89-F168 HydrophobicContact CD1-CD1 3.67Å; L89-F168 HydrophobicContact CD1-CD2 4.38Å; L89-F168 HydrophobicContact CD1-CE1 3.43Å; L89-F168 VanDerWaalsContact CD1-CE1 3.43Å; L89-F168 HydrophobicContact CD1-CE2 4.17Å; L89-F168 HydrophobicContact CD1-CG 4.14Å; L89-F168 HydrophobicContact CD1-CZ 3.71Å; L89-L171 HydrophobicContact CD2-CB 4.19Å; L89-L171 HydrophobicContact CD2-CD2 3.97Å; L89-L171 HydrophobicContact CG-CD2 3.87Å
90	I	98.8	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.2	171.9	-54.5	174.9	0	0	0	107	V19 V103 F106 H107 I110 M121 I122 L123 V124	V19-I90 HydrophobicContact CG2-CB 4.45Å; V19-I90 HydrophobicContact CG2-CG1 4.02Å; I90-V103 HydrophobicContact CG2-CG1 4.2Å; I90-V103 HydrophobicContact CG2-CG2 4.31Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; I90-H107 HydrophobicContact CD1-CB 4.05Å; I90-I110 HydrophobicContact CD1-CD1 3.89Å; I90-I110 HydrophobicContact CG1-CD1 3.95Å; I90-M121 HydrophobicContact CD1-SD 4.03Å; I90-I122 PolarHBondContact N-O 2.81Å; I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.35Å; I90-V124 PolarHBondContact O-N 2.93Å
91	V	98.9	Very high	97.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.4	-172.6	-170	0	0	0	0	110.1	V18 V19 G20 V24 K26 L29 L89 V124 N126	V18-V91 HydrophobicContact CG1-CG2 3.6Å; V19-V91 PolarHBondContact O-N 2.99Å; G20-V91 WeakPolarHBondContact CA-O 3.43Å; V24-V91 HydrophobicContact CB-CG1 4.37Å; V24-V91 HydrophobicContact CG2-CB 4Å; V24-V91 HydrophobicContact CG2-CG1 3.84Å; K26-V91 HydrophobicContact CG-CB 4.19Å; K26-V91 HydrophobicContact CG-CG2 4.32Å; L29-V91 HydrophobicContact CD1-CG1 3.86Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L89-V91 HydrophobicContact CB-CG2 4.28Å; V91-V124 WeakPolarHBondContact CA-O 3.23Å; V91-V124 HydrophobicContact CG1-CB 4.5Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.47Å; V91-N126 HydrophobicContact CG1-CB 3.8Å
92	Y	98.8	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159	165.6	77.9	-85.7	0	0	0	109.8	V94 S99 F100 V103 L123 V124 A125 N126 I136 G141 Y152	Y92-V94 HydrophobicContact CE2-CG1 4.17Å; Y92-S99 WeakPolarHBondContact CB-O 3.3Å; Y92-F100 HydrophobicContact CD1-CD2 4.31Å; Y92-F100 HydrophobicContact CD2-CB 3.76Å; Y92-F100 AromaticContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CG 4.32Å; Y92-F100 HydrophobicContact CE1-CD2 4.06Å; Y92-F100 HydrophobicContact CE2-CB 4.15Å; Y92-F100 AromaticContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CG 4.29Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.24Å; Y92-F100 AromaticContact CZ-CD2 3.72Å; Y92-V103 HydrophobicContact CD1-CG2 4.13Å; Y92-V103 HydrophobicContact CG-CG2 4.33Å; Y92-L123 HydrophobicContact CD1-CD1 3.75Å; Y92-L123 HydrophobicContact CD1-CG 4.31Å; Y92-L123 HydrophobicContact CE1-CD1 3.98Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; Y92-V124 WeakPolarHBondContact CD1-O 3.35Å; Y92-V124 PolarHBondContact N-O 2.93Å; Y92-A125 HydrophobicContact CD1-CB 4.49Å; Y92-A125 HydrophobicContact CE1-CB 3.62Å; Y92-A125 HydrophobicContact CE2-CB 4.22Å; Y92-A125 VanDerWaalsContact CZ-CB 3.46Å; Y92-A125 WeakPolarHBondContact OH-CB 3.21Å; Y92-N126 PolarHBondContact O-N 3.2Å; Y92-I136 HydrophobicContact CE2-CB 4.08Å; Y92-I136 HydrophobicContact CE2-CG1 4.32Å; Y92-I136 HydrophobicContact CE2-CG2 3.9Å; Y92-G141 WeakPolarHBondContact OH-CA 3.47Å; Y92-Y152 HydrophobicContact CE1-CE2 4.35Å
93	S	98.7	Very high	98.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.8	173.4	179.2	0	0	0	0	110.1	T95 D96 S99 K127	S93-T95 PolarHBondContact O-N 3.09Å; S93-T95 PolarHBondContact OG-N 3.5Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; S93-D96 PolarHBondContact O-N 3.45Å; S93-D96 VanDerWaalsContact O-O 3.13Å; S93-S99 PolarHBondContact N-OG 3.32Å; S93-K127 WeakPolarHBondContact OG-CD 3.45Å
94	V	98.8	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.8	174	-59.2	0	0	0	0	113	Y92 A125 N126 K127 V128 R134 K135 I136	Y92-V94 HydrophobicContact CE2-CG1 4.17Å; V94-A125 HydrophobicContact CG1-CB 3.82Å; V94-N126 WeakPolarHBondContact CG2-O 3.46Å; V94-N126 PolarHBondContact N-O 3.38Å; V94-K127 VanDerWaalsContact CG2-O 3.31Å; V94-K127 WeakPolarHBondContact CG2-O 3.26Å; V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.31Å; V94-R134 HydrophobicContact CB-CG 4.25Å; V94-R134 HydrophobicContact CG2-CB 4.47Å; V94-R134 HydrophobicContact CG2-CG 4.37Å; V94-K135 PolarHBondContact O-N 3.38Å; V94-I136 PolarHBondContact O-N 2.97Å; V94-I136 VanDerWaalsContact O-N 3.13Å
95	T	98.4	Very high	98.4	Very high	26 Å²	26	31.2 Å²	31.2	16%	0.16	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.3	176	73	0	0	0	0	113.6	S93 K127 L130 L133 K135	S93-T95 PolarHBondContact O-N 3.09Å; S93-T95 PolarHBondContact OG-N 3.5Å; S93-T95 PolarHBondContact OG-OG1 3.3Å; T95-K127 HydrophobicContact CG2-CB 4.48Å; T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CG 4.42Å; T95-L133 WeakPolarHBondContact CA-O 3.4Å; T95-L133 HydrophobicContact CG2-CB 3.75Å; T95-K135 VanDerWaalsContact O-CD 3.23Å; T95-K135 WeakPolarHBondContact O-CD 3.39Å; T95-K135 VanDerWaalsContact O-CE 3.24Å; T95-K135 WeakPolarHBondContact O-CE 3.31Å
96	D	98.3	Very high	98.4	Very high	54 Å²	54	31.8 Å²	31.8	29%	0.289	16%	0.155	S	C	.	.			trans	-128.9	103.8	-174.6	-175.2	-2.4	0	0	0	111.1	S93 A98 S99 F100	S93-D96 PolarHBondContact O-N 3.45Å; S93-D96 VanDerWaalsContact O-O 3.13Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.1Å; D96-A98 PolarHBondContact OD1-N 3.04Å; D96-S99 PolarHBondContact O-N 3.19Å; D96-S99 PolarHBondContact O-OG 2.95Å; D96-S99 PolarHBondContact OD1-N 2.77Å; D96-F100 PolarHBondContact O-N 3.38Å
97	K	98.2	Very high	98.4	Very high	112 Å²	112	29.6 Å²	29.6	49%	0.487	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-35.4	-179.4	-176.5	178.3	-173.2	-146.6	0	112.8	S99 F100 E101 I136	K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.61Å; K97-F100 WeakPolarHBondContact O-CB 3.29Å; K97-F100 PolarHBondContact O-N 3Å; K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 HydrophobicContact CG-CG 4.48Å; K97-E101 IonicContact NZ-OE1 3.36Å; K97-E101 PolarHBondContact NZ-OE1 3.15Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.11Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.91Å
98	A	98.2	Very high	98.4	Very high	41 Å²	41	35.7 Å²	35.7	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-64.2	-43.2	179.5	0	0	0	0	0	110.4	D96 F100 E101 H102	D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.1Å; D96-A98 PolarHBondContact OD1-N 3.04Å; A98-F100 PolarHBondContact O-N 3.04Å; A98-E101 PolarHBondContact O-N 3.12Å; A98-H102 PolarHBondContact O-N 3.39Å
99	S	98.4	Very high	98.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-31.5	176.3	77.9	0	0	0	0	113.7	D21 V24 Y92 S93 D96 K97	D21-S99 WeakPolarHBondContact OD2-CA 3.29Å; V24-S99 VanDerWaalsContact CG1-CB 3.5Å; Y92-S99 WeakPolarHBondContact CB-O 3.3Å; S93-S99 PolarHBondContact N-OG 3.32Å; D96-S99 PolarHBondContact O-N 3.19Å; D96-S99 PolarHBondContact O-OG 2.95Å; D96-S99 PolarHBondContact OD1-N 2.77Å; K97-S99 VanDerWaalsContact C-N 3.33Å; K97-S99 PolarHBondContact O-N 2.61Å
100	F	98.8	Very high	98.3	Very high	23 Å²	23	36.7 Å²	36.7	10%	0.101	18%	0.177	C	C	.	.	H	α-helix	trans	-73.4	-42.2	174.2	174.9	-104.1	0	0	0	111.9	Y92 D96 K97 A98 H102 V103 I136 Q140 M144	Y92-F100 HydrophobicContact CD1-CD2 4.31Å; Y92-F100 HydrophobicContact CD2-CB 3.76Å; Y92-F100 AromaticContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CD2 3.94Å; Y92-F100 HydrophobicContact CD2-CG 4.32Å; Y92-F100 HydrophobicContact CE1-CD2 4.06Å; Y92-F100 HydrophobicContact CE2-CB 4.15Å; Y92-F100 AromaticContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CD2 3.68Å; Y92-F100 HydrophobicContact CE2-CG 4.29Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.24Å; Y92-F100 AromaticContact CZ-CD2 3.72Å; D96-F100 PolarHBondContact O-N 3.38Å; K97-F100 WeakPolarHBondContact O-CB 3.29Å; K97-F100 PolarHBondContact O-N 3Å; A98-F100 PolarHBondContact O-N 3.04Å; F100-H102 PolarHBondContact O-N 2.76Å; F100-V103 VanDerWaalsContact O-CB 3.29Å; F100-V103 WeakPolarHBondContact O-CB 3.47Å; F100-V103 VanDerWaalsContact O-CG2 3.31Å; F100-V103 WeakPolarHBondContact O-CG2 3.45Å; F100-V103 PolarHBondContact O-N 2.78Å; F100-I136 HydrophobicContact CB-CD1 4.02Å; F100-I136 HydrophobicContact CB-CG1 3.91Å; F100-I136 HydrophobicContact CD1-CD1 3.88Å; F100-I136 HydrophobicContact CD1-CG1 4.45Å; F100-I136 HydrophobicContact CD1-CG2 4.26Å; F100-I136 HydrophobicContact CD2-CG2 3.86Å; F100-I136 HydrophobicContact CE1-CG2 4.4Å; F100-I136 HydrophobicContact CE2-CG2 4.01Å; F100-I136 HydrophobicContact CG-CD1 4.04Å; F100-I136 HydrophobicContact CG-CG1 4.12Å; F100-I136 HydrophobicContact CG-CG2 3.97Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; F100-Q140 HydrophobicContact CZ-CB 4.07Å; F100-Q140 WeakPolarHBondContact CZ-O 3.32Å; F100-M144 HydrophobicContact CD1-CE 4.39Å; F100-M144 HydrophobicContact CD2-CE 4.49Å; F100-M144 HydrophobicContact CE1-CE 3.86Å; F100-M144 HydrophobicContact CE2-CB 3.65Å; F100-M144 HydrophobicContact CE2-CE 3.98Å; F100-M144 HydrophobicContact CE2-CG 3.98Å; F100-M144 HydrophobicContact CZ-CB 3.78Å; F100-M144 HydrophobicContact CZ-CE 3.65Å; F100-M144 HydrophobicContact CZ-CG 4.29Å
101	E	98.1	Very high	98.3	Very high	100 Å²	100	38 Å²	38	47%	0.467	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-32.1	176.7	-69.9	170.4	177.1	0	0	111.7	K97 A98 V103	K97-E101 WeakPolarHBondContact CE-OE1 3.46Å; K97-E101 HydrophobicContact CG-CG 4.48Å; K97-E101 IonicContact NZ-OE1 3.36Å; K97-E101 PolarHBondContact NZ-OE1 3.15Å; K97-E101 WeakPolarHBondContact O-CG 3.42Å; K97-E101 PolarHBondContact O-N 3.11Å; A98-E101 PolarHBondContact O-N 3.12Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 3.37Å
102	H	98.1	Very high	98.2	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.338	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.4	176.8	-64.7	162.4	0	0	0	115	D21 A98 F100 D104 R105 F106	D21-H102 IonicContact OD1-CG 3.09Å; D21-H102 IonicContact OD1-ND1 3.79Å; D21-H102 PolarHBondContact OD1-ND1 2.79Å; D21-H102 IonicContact OD2-CE1 2.74Å; D21-H102 IonicContact OD2-CG 3.04Å; D21-H102 IonicContact OD2-ND1 3.1Å; D21-H102 PolarHBondContact OD2-ND1 2.9Å; A98-H102 PolarHBondContact O-N 3.39Å; F100-H102 PolarHBondContact O-N 2.76Å; H102-D104 VanDerWaalsContact C-N 3.25Å; H102-D104 PolarHBondContact O-N 3.25Å; H102-R105 WeakPolarHBondContact O-CB 3.11Å; H102-R105 PolarHBondContact O-N 3Å; H102-F106 HydrophobicContact CB-CD2 4.46Å; H102-F106 HydrophobicContact CB-CE2 4.3Å; H102-F106 WeakPolarHBondContact O-CD2 3.25Å; H102-F106 PolarHBondContact O-N 3.34Å; H102-F106 VanDerWaalsContact O-N 3.11Å
103	V	98.6	Very high	98.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-42.5	176.5	168.8	0	0	0	0	111.5	I90 Y92 F100 E101 R105 F106 H107 L123 M144	I90-V103 HydrophobicContact CG2-CG1 4.2Å; I90-V103 HydrophobicContact CG2-CG2 4.31Å; Y92-V103 HydrophobicContact CD1-CG2 4.13Å; Y92-V103 HydrophobicContact CG-CG2 4.33Å; F100-V103 VanDerWaalsContact O-CB 3.29Å; F100-V103 WeakPolarHBondContact O-CB 3.47Å; F100-V103 VanDerWaalsContact O-CG2 3.31Å; F100-V103 WeakPolarHBondContact O-CG2 3.45Å; F100-V103 PolarHBondContact O-N 2.78Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 3.37Å; V103-R105 PolarHBondContact O-N 3.27Å; V103-F106 PolarHBondContact O-N 3.35Å; V103-H107 WeakPolarHBondContact O-CB 3.31Å; V103-H107 PolarHBondContact O-N 3.37Å; V103-L123 HydrophobicContact CB-CD1 4.36Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG1-CD2 4.37Å; V103-L123 HydrophobicContact CG2-CD1 3.77Å; V103-M144 HydrophobicContact CB-CE 4.42Å; V103-M144 HydrophobicContact CB-CG 4.31Å; V103-M144 HydrophobicContact CB-SD 4.42Å; V103-M144 HydrophobicContact CG1-CG 3.74Å; V103-M144 HydrophobicContact CG1-SD 4.11Å
104	D	98	Very high	98	Very high	39 Å²	39	48.7 Å²	48.7	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-55	-43.3	176.6	-80.3	-32.7	0	0	0	111.5	H102 Q108 K147 H148	H102-D104 VanDerWaalsContact C-N 3.25Å; H102-D104 PolarHBondContact O-N 3.25Å; D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.08Å; D104-Q108 PolarHBondContact O-N 3.45Å; D104-K147 WeakPolarHBondContact OD1-CE 3.43Å; D104-K147 IonicContact OD1-NZ 3.82Å; D104-K147 PolarHBondContact OD1-NZ 2.83Å; D104-K147 IonicContact OD2-NZ 2.77Å; D104-K147 PolarHBondContact OD2-NZ 3.08Å; D104-H148 IonicContact OD1-CD2 3.88Å; D104-H148 IonicContact OD1-CE1 3.98Å; D104-H148 PolarHBondContact OD1-CE1 2.88Å; D104-H148 IonicContact OD1-NE2 3.19Å; D104-H148 PolarHBondContact OD1-NE2 3.08Å
105	R	97	Very high	97.9	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-46.2	-179.6	-175.9	-175.2	179.4	-157.6	-3.4	111.6	E72 H102 V103 L109	E72-R105 VanDerWaalsContact CD-NH1 3.27Å; E72-R105 IonicContact OE1-CZ 3.01Å; E72-R105 IonicContact OE1-NH1 2.64Å; E72-R105 PolarHBondContact OE1-NH1 3.4Å; E72-R105 IonicContact OE1-NH2 2.81Å; E72-R105 PolarHBondContact OE1-NH2 3.2Å; E72-R105 IonicContact OE2-CZ 3.71Å; E72-R105 IonicContact OE2-NH1 3.84Å; E72-R105 PolarHBondContact OE2-NH1 2.93Å; H102-R105 WeakPolarHBondContact O-CB 3.11Å; H102-R105 PolarHBondContact O-N 3Å; V103-R105 PolarHBondContact O-N 3.27Å; R105-L109 VanDerWaalsContact O-CB 3.22Å; R105-L109 WeakPolarHBondContact O-CB 3.34Å; R105-L109 PolarHBondContact O-N 3.13Å
106	F	97.8	Very high	97.8	Very high	12 Å²	12	62.4 Å²	62.4	5%	0.053	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-44.9	177.2	-78.2	-73.8	0	0	0	111.7	V19 G20 D21 M82 I90 H102 V103 L109 I110	V19-F106 HydrophobicContact CB-CD1 4.03Å; V19-F106 HydrophobicContact CB-CE1 4.23Å; V19-F106 HydrophobicContact CG2-CD1 3.99Å; V19-F106 HydrophobicContact CG2-CG 4.42Å; G20-F106 VanDerWaalsContact C-CZ 3.49Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.48Å; M82-F106 HydrophobicContact CE-CD1 4.08Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; H102-F106 HydrophobicContact CB-CD2 4.46Å; H102-F106 HydrophobicContact CB-CE2 4.3Å; H102-F106 WeakPolarHBondContact O-CD2 3.25Å; H102-F106 PolarHBondContact O-N 3.34Å; H102-F106 VanDerWaalsContact O-N 3.11Å; V103-F106 PolarHBondContact O-N 3.35Å; F106-L109 PolarHBondContact O-N 3.45Å; F106-I110 WeakPolarHBondContact O-CD1 3.27Å; F106-I110 VanDerWaalsContact O-CG1 3.3Å; F106-I110 WeakPolarHBondContact O-CG1 3.46Å; F106-I110 PolarHBondContact O-N 3.39Å
107	H	98.6	Very high	97.6	Very high	15 Å²	15	68.9 Å²	68.9	7%	0.069	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-51.2	178.6	178	-95.1	0	0	0	111.8	I90 V103 L109 I110 L111 M121 H148	I90-H107 HydrophobicContact CD1-CB 4.05Å; V103-H107 WeakPolarHBondContact O-CB 3.31Å; V103-H107 PolarHBondContact O-N 3.37Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.97Å; H107-I110 PolarHBondContact O-N 2.96Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.32Å; H107-L111 PolarHBondContact O-N 3.44Å; H107-L111 VanDerWaalsContact O-N 3.1Å; H107-M121 WeakPolarHBondContact CD2-CE 3.35Å; H107-M121 VanDerWaalsContact CD2-SD 3.56Å; H107-M121 VanDerWaalsContact NE2-CE 3.31Å; H107-M121 WeakPolarHBondContact NE2-CE 3.06Å; H107-H148 AromaticContact CD2-CG 3.91Å; H107-H148 AromaticContact CE1-CG 3.84Å; H107-H148 AromaticContact CE1-ND1 3.38Å; H107-H148 PolarHBondContact CE1-ND1 2.96Å; H107-H148 AromaticContact CG-CG 3.75Å; H107-H148 AromaticContact CG-ND1 3.6Å; H107-H148 AromaticContact ND1-CE1 3.67Å; H107-H148 AromaticContact ND1-CG 3.73Å; H107-H148 AromaticContact ND1-ND1 3.13Å; H107-H148 PolarHBondContact ND1-ND1 2.83Å; H107-H148 VanDerWaalsContact ND1-ND1 3.13Å; H107-H148 AromaticContact NE2-CG 3.99Å; H107-H148 AromaticContact NE2-ND1 4Å
108	Q	98	Very high	97.5	Very high	127 Å²	127	67.1 Å²	67.1	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-60.8	-40	177.7	-72.8	175.4	-5.6	0	0	112.3	D104 L111 R112	D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 VanDerWaalsContact O-CG 3.26Å; D104-Q108 WeakPolarHBondContact O-CG 3.08Å; D104-Q108 PolarHBondContact O-N 3.45Å; Q108-L111 PolarHBondContact O-N 3.27Å; Q108-R112 VanDerWaalsContact O-CB 3.32Å; Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.12Å
109	L	97.3	Very high	97.5	Very high	23 Å²	23	66.6 Å²	66.6	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-44.1	178.7	-177.6	58.6	0	0	0	111.7	E79 M82 R105 F106 H107 R112 V113	E79-L109 HydrophobicContact CG-CD1 4.03Å; E79-L109 HydrophobicContact CG-CD2 4.13Å; E79-L109 HydrophobicContact CG-CG 4.38Å; M82-L109 HydrophobicContact CE-CD2 4.02Å; M82-L109 HydrophobicContact CE-CG 4.41Å; M82-L109 HydrophobicContact SD-CB 4.45Å; M82-L109 HydrophobicContact SD-CD2 3.85Å; M82-L109 HydrophobicContact SD-CG 3.73Å; R105-L109 VanDerWaalsContact O-CB 3.22Å; R105-L109 WeakPolarHBondContact O-CB 3.34Å; R105-L109 PolarHBondContact O-N 3.13Å; F106-L109 PolarHBondContact O-N 3.45Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.97Å; L109-R112 PolarHBondContact O-N 3.41Å; L109-V113 HydrophobicContact CD1-CG2 3.99Å; L109-V113 HydrophobicContact CG-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 VanDerWaalsContact O-CG2 3.24Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.03Å
110	I	98.3	Very high	97.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-51.3	176.2	-70.4	160.3	0	0	0	110.3	V19 M82 F88 I90 F106 H107 R112 V113 K114 F119 M121	V19-I110 HydrophobicContact CG2-CD1 4.22Å; M82-I110 HydrophobicContact CE-CG1 4.1Å; M82-I110 HydrophobicContact CG-CG1 4.14Å; M82-I110 HydrophobicContact SD-CG1 3.92Å; F88-I110 HydrophobicContact CB-CD1 3.76Å; F88-I110 HydrophobicContact CD1-CD1 3.99Å; F88-I110 HydrophobicContact CD1-CG1 4.16Å; F88-I110 HydrophobicContact CD2-CD1 4.08Å; F88-I110 HydrophobicContact CD2-CG1 4.25Å; F88-I110 HydrophobicContact CD2-CG2 3.53Å; F88-I110 HydrophobicContact CE1-CG1 4.45Å; F88-I110 HydrophobicContact CE2-CG1 4.5Å; F88-I110 HydrophobicContact CE2-CG2 3.54Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4.09Å; F88-I110 HydrophobicContact CG-CG2 4.22Å; F88-I110 HydrophobicContact CZ-CG2 4.26Å; I90-I110 HydrophobicContact CD1-CD1 3.89Å; I90-I110 HydrophobicContact CG1-CD1 3.95Å; F106-I110 WeakPolarHBondContact O-CD1 3.27Å; F106-I110 VanDerWaalsContact O-CG1 3.3Å; F106-I110 WeakPolarHBondContact O-CG1 3.46Å; F106-I110 PolarHBondContact O-N 3.39Å; H107-I110 PolarHBondContact O-N 2.96Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.62Å; I110-V113 PolarHBondContact O-N 3.49Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.33Å; I110-K114 VanDerWaalsContact O-CG 3.26Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.37Å; I110-F119 HydrophobicContact CG2-CD1 4.36Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.44Å; I110-M121 HydrophobicContact CD1-SD 3.82Å; I110-M121 HydrophobicContact CG2-CG 4.36Å; I110-M121 HydrophobicContact CG2-SD 3.71Å
111	L	98.2	Very high	97.4	Very high	28 Å²	28	65.6 Å²	65.6	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-42.5	-179.6	-69.4	-173.3	0	0	0	112.3	H107 Q108 K114 D115 R116 F119 M121	H107-L111 WeakPolarHBondContact CE1-CD1 3.32Å; H107-L111 PolarHBondContact O-N 3.44Å; H107-L111 VanDerWaalsContact O-N 3.1Å; Q108-L111 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 3.11Å; L111-D115 PolarHBondContact O-N 3.14Å; L111-R116 WeakPolarHBondContact CB-O 3.47Å; L111-R116 PolarHBondContact O-N 3.08Å; L111-F119 HydrophobicContact CD2-CB 3.98Å; L111-M121 HydrophobicContact CD2-CE 3.61Å; L111-M121 HydrophobicContact CG-CE 4.1Å
112	R	97.8	Very high	97.5	Very high	165 Å²	165	60.9 Å²	60.9	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-61.2	-47.8	175.9	-175.5	-175.9	74.1	173.7	6.3	111.9	E79 Q108 L109 I110 K114 D115	E79-R112 IonicContact OE1-NH2 2.72Å; E79-R112 PolarHBondContact OE1-NH2 3.39Å; E79-R112 VanDerWaalsContact OE1-NH2 3.1Å; E79-R112 IonicContact OE2-NH2 3.24Å; Q108-R112 VanDerWaalsContact O-CB 3.32Å; Q108-R112 WeakPolarHBondContact O-CB 3.45Å; Q108-R112 PolarHBondContact O-N 3.12Å; L109-R112 PolarHBondContact O-N 3.41Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 2.62Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.91Å; R112-D115 PolarHBondContact O-N 2.95Å
113	V	97.2	Very high	97.5	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-68.5	-32.7	-178.9	171.1	0	0	0	0	111.5	E79 M82 R83 L109 I110	E79-V113 HydrophobicContact CB-CG2 4.4Å; E79-V113 HydrophobicContact CG-CG2 4.27Å; M82-V113 HydrophobicContact CB-CB 4.18Å; M82-V113 HydrophobicContact CB-CG1 3.76Å; R83-V113 HydrophobicContact CB-CG1 4.18Å; R83-V113 HydrophobicContact CG-CG1 3.31Å; L109-V113 HydrophobicContact CD1-CG2 3.99Å; L109-V113 HydrophobicContact CG-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CB 3.35Å; L109-V113 VanDerWaalsContact O-CG2 3.24Å; L109-V113 WeakPolarHBondContact O-CG2 3.4Å; L109-V113 PolarHBondContact O-N 3.03Å; I110-V113 PolarHBondContact O-N 3.49Å
114	K	96.6	Very high	97.5	Very high	35 Å²	35	57.3 Å²	57.3	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-79.6	-16.7	176.3	-72.2	-59.1	-167.4	-176	0	114.3	M82 R83 G85 I110 L111 R112 R116 F119	M82-K114 WeakPolarHBondContact O-CE 3.22Å; M82-K114 PolarHBondContact O-NZ 2.93Å; R83-K114 PolarHBondContact O-NZ 3.06Å; G85-K114 WeakPolarHBondContact O-CE 3.44Å; G85-K114 PolarHBondContact O-NZ 3.17Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.33Å; I110-K114 VanDerWaalsContact O-CG 3.26Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.37Å; L111-K114 PolarHBondContact O-N 3.11Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.91Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.09Å; K114-R116 WeakPolarHBondContact O-CG 3.33Å; K114-F119 HydrophobicContact CB-CD2 4.02Å; K114-F119 HydrophobicContact CB-CE2 4.44Å; K114-F119 HydrophobicContact CB-CG 4.3Å; K114-F119 HydrophobicContact CD-CD1 4.43Å; K114-F119 HydrophobicContact CD-CD2 4.09Å; K114-F119 HydrophobicContact CD-CE1 4.14Å; K114-F119 HydrophobicContact CD-CE2 3.74Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 HydrophobicContact CG-CD1 4.02Å; K114-F119 HydrophobicContact CG-CD2 3.8Å; K114-F119 HydrophobicContact CG-CE1 4.23Å; K114-F119 HydrophobicContact CG-CE2 3.99Å; K114-F119 HydrophobicContact CG-CG 3.83Å; K114-F119 HydrophobicContact CG-CZ 4.23Å
115	D	96.6	Very high	97.6	Very high	146 Å²	146	55.5 Å²	55.5	78%	0.781	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	53.3	-172.3	-167.9	33.2	0	0	0	111.3	L111 R112	L111-D115 PolarHBondContact O-N 3.14Å; R112-D115 PolarHBondContact O-N 2.95Å
116	R	95.4	Very high	97.7	Very high	167 Å²	167	50 Å²	50	63%	0.63	24%	0.235	S	C	*	.			trans	-142.4	149.2	-176.8	-62.1	-76.2	178.1	153.9	-0.7	110.7	L111 K114 S118 F119	L111-R116 WeakPolarHBondContact CB-O 3.47Å; L111-R116 PolarHBondContact O-N 3.08Å; K114-R116 HydrophobicContact CB-CB 4.34Å; K114-R116 HydrophobicContact CB-CG 4.09Å; K114-R116 WeakPolarHBondContact O-CG 3.33Å; R116-S118 WeakPolarHBondContact CB-O 3.41Å; R116-F119 HydrophobicContact CG-CD2 4.19Å
117	E	94.6	Very high	97.7	Very high	190 Å²	190	52 Å²	52	89%	0.888	24%	0.244	S	C	*	.	S	Bend	trans	-78	-22.9	170.2	-63.1	-179.7	167.8	0	0	112.8
118	S	95.1	Very high	97.7	Very high	75 Å²	75	51.9 Å²	51.9	52%	0.524	24%	0.244	S	C	.	.			trans	-145.7	147.1	174.5	62.6	0	0	0	0	110.9	R116	R116-S118 WeakPolarHBondContact CB-O 3.41Å
119	F	97.9	Very high	97.6	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.136	23%	0.23	C	C	.	.			trans	-150.6	152.7	179.9	-157.9	-97.4	0	0	0	110.3	D86 F88 I110 L111 K114 R116 M121	D86-F119 VanDerWaalsContact O-CE1 3.25Å; D86-F119 WeakPolarHBondContact O-CE1 3.42Å; F88-F119 AromaticContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CD1 3.81Å; F88-F119 HydrophobicContact CD2-CE1 4.04Å; F88-F119 AromaticContact CE2-CD1 3.55Å; F88-F119 HydrophobicContact CE2-CD1 3.55Å; F88-F119 AromaticContact CE2-CE1 3.49Å; F88-F119 HydrophobicContact CE2-CE1 3.49Å; F88-F119 VanDerWaalsContact CE2-CE1 3.49Å; I110-F119 HydrophobicContact CG2-CD1 4.36Å; L111-F119 HydrophobicContact CD2-CB 3.98Å; K114-F119 HydrophobicContact CB-CD2 4.02Å; K114-F119 HydrophobicContact CB-CE2 4.44Å; K114-F119 HydrophobicContact CB-CG 4.3Å; K114-F119 HydrophobicContact CD-CD1 4.43Å; K114-F119 HydrophobicContact CD-CD2 4.09Å; K114-F119 HydrophobicContact CD-CE1 4.14Å; K114-F119 HydrophobicContact CD-CE2 3.74Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.79Å; K114-F119 HydrophobicContact CG-CD1 4.02Å; K114-F119 HydrophobicContact CG-CD2 3.8Å; K114-F119 HydrophobicContact CG-CE1 4.23Å; K114-F119 HydrophobicContact CG-CE2 3.99Å; K114-F119 HydrophobicContact CG-CG 3.83Å; K114-F119 HydrophobicContact CG-CZ 4.23Å; R116-F119 HydrophobicContact CG-CD2 4.19Å; F119-M121 HydrophobicContact CB-CE 4.18Å; F119-M121 WeakPolarHBondContact O-CE 3.49Å; F119-M121 PolarHBondContact O-N 2.83Å
120	P	98.5	Very high	97.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.013	24%	0.235	C	C	.	.			trans	-60.8	112.9	-179.3	-27.4	38.7	0	0	0	112.1	G87 F88 L171 V174 I175 Q178	G87-P120 CarbonylContact C-O 3.59Å; G87-P120 WeakPolarHBondContact CA-O 3.38Å; F88-P120 PolarHBondContact N-O 2.86Å; P120-L171 HydrophobicContact CB-CD1 4.41Å; P120-V174 HydrophobicContact CB-CB 4.44Å; P120-V174 HydrophobicContact CB-CG1 3.84Å; P120-I175 HydrophobicContact CB-CB 4.39Å; P120-I175 HydrophobicContact CB-CG1 3.54Å; P120-I175 HydrophobicContact CG-CB 4.41Å; P120-I175 HydrophobicContact CG-CG1 3.94Å; P120-Q178 VanDerWaalsContact CG-CD 3.42Å; P120-Q178 HydrophobicContact CG-CG 4.11Å
121	M	98.7	Very high	97.4	Very high	1 Å²	1	55 Å²	55	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.2	-178.2	-66.1	179.7	-83.6	0	0	109.3	F88 I90 H107 I110 L111 F119 I150 P151	F88-M121 HydrophobicContact CB-CG 4.14Å; F88-M121 HydrophobicContact CD2-CG 4.24Å; F88-M121 CarbonylContact O-C 3.57Å; F88-M121 VanDerWaalsContact O-CA 3.27Å; F88-M121 WeakPolarHBondContact O-CA 3.4Å; I90-M121 HydrophobicContact CD1-SD 4.03Å; H107-M121 WeakPolarHBondContact CD2-CE 3.35Å; H107-M121 VanDerWaalsContact CD2-SD 3.56Å; H107-M121 VanDerWaalsContact NE2-CE 3.31Å; H107-M121 WeakPolarHBondContact NE2-CE 3.06Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.44Å; I110-M121 HydrophobicContact CD1-SD 3.82Å; I110-M121 HydrophobicContact CG2-CG 4.36Å; I110-M121 HydrophobicContact CG2-SD 3.71Å; L111-M121 HydrophobicContact CD2-CE 3.61Å; L111-M121 HydrophobicContact CG-CE 4.1Å; F119-M121 HydrophobicContact CB-CE 4.18Å; F119-M121 WeakPolarHBondContact O-CE 3.49Å; F119-M121 PolarHBondContact O-N 2.83Å; M121-I150 HydrophobicContact CB-CB 4.49Å; M121-I150 HydrophobicContact CB-CD1 4.41Å; M121-I150 HydrophobicContact CB-CG2 3.91Å; M121-I150 HydrophobicContact CE-CG2 4.38Å; M121-P151 WeakPolarHBondContact O-CD 3.38Å
122	I	98.8	Very high	97.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.2	167.5	-64.4	-174.6	0	0	0	108.4	F88 L89 I90 V124 P151 I153 D170 L171 V174	F88-I122 PolarHBondContact O-N 2.86Å; L89-I122 HydrophobicContact CD2-CB 4.03Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; I90-I122 PolarHBondContact N-O 2.81Å; I122-V124 HydrophobicContact CG2-CG2 4.16Å; I122-P151 HydrophobicContact CG1-CB 4.17Å; I122-P151 HydrophobicContact CG1-CG 4.23Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; I122-I153 HydrophobicContact CG2-CG2 3.72Å; I122-D170 VanDerWaalsContact CD1-C 3.47Å; I122-D170 HydrophobicContact CD1-CB 3.52Å; I122-L171 HydrophobicContact CD1-CB 3.97Å; I122-L171 HydrophobicContact CG1-CB 4.45Å; I122-L171 HydrophobicContact CG1-CD1 4.24Å; I122-V174 HydrophobicContact CD1-CG2 4.25Å; I122-V174 HydrophobicContact CG1-CG2 4.28Å
123	L	98.9	Very high	97.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.8	170.2	-176.5	57.8	0	0	0	109.8	I90 Y92 V103 M144 A145 I150 P151 Y152 I153	I90-L123 HydrophobicContact CB-CD1 4.42Å; I90-L123 HydrophobicContact CG2-CD1 4.35Å; Y92-L123 HydrophobicContact CD1-CD1 3.75Å; Y92-L123 HydrophobicContact CD1-CG 4.31Å; Y92-L123 HydrophobicContact CE1-CD1 3.98Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; V103-L123 HydrophobicContact CB-CD1 4.36Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG1-CD2 4.37Å; V103-L123 HydrophobicContact CG2-CD1 3.77Å; L123-M144 HydrophobicContact CD2-CB 3.86Å; L123-M144 HydrophobicContact CD2-CG 3.66Å; L123-A145 HydrophobicContact CB-CB 4.32Å; L123-A145 HydrophobicContact CD2-CB 4.02Å; L123-I150 HydrophobicContact CB-CD1 3.94Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; L123-P151 PolarHBondContact N-O 3.48Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.15Å; L123-Y152 HydrophobicContact CG-CD2 4.18Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; L123-I153 PolarHBondContact O-N 2.89Å
124	V	98.9	Very high	97.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.4	-176.7	-177.1	0	0	0	0	109.9	L29 L89 I90 V91 Y92 I122 I153 T155	L29-V124 HydrophobicContact CD1-CG1 3.97Å; L89-V124 HydrophobicContact CB-CG2 4.12Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; L89-V124 HydrophobicContact CG-CG2 4.43Å; I90-V124 PolarHBondContact O-N 2.93Å; V91-V124 WeakPolarHBondContact CA-O 3.23Å; V91-V124 HydrophobicContact CG1-CB 4.5Å; V91-V124 HydrophobicContact CG1-CG1 4.37Å; V91-V124 HydrophobicContact CG2-CB 4.15Å; V91-V124 HydrophobicContact CG2-CG1 4.47Å; Y92-V124 WeakPolarHBondContact CD1-O 3.35Å; Y92-V124 PolarHBondContact N-O 2.93Å; I122-V124 HydrophobicContact CG2-CG2 4.16Å; V124-I153 WeakPolarHBondContact CA-O 3.35Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.41Å; V124-I153 HydrophobicContact CG2-CG2 3.91Å; V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.32Å
125	A	98.9	Very high	97.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.4	170.1	0	0	0	0	0	109.2	Y92 V94 Y152 I153 E154 T155	Y92-A125 HydrophobicContact CD1-CB 4.49Å; Y92-A125 HydrophobicContact CE1-CB 3.62Å; Y92-A125 HydrophobicContact CE2-CB 4.22Å; Y92-A125 VanDerWaalsContact CZ-CB 3.46Å; Y92-A125 WeakPolarHBondContact OH-CB 3.21Å; V94-A125 HydrophobicContact CG1-CB 3.82Å; A125-Y152 HydrophobicContact CB-CE2 3.69Å; A125-Y152 VanDerWaalsContact CB-OH 3.23Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; A125-I153 PolarHBondContact N-O 3.35Å; A125-E154 HydrophobicContact CB-CG 4.05Å; A125-E154 CarbonylContact O-C 3.56Å; A125-E154 WeakPolarHBondContact O-CA 3.3Å; A125-T155 PolarHBondContact O-N 3.23Å; A125-T155 PolarHBondContact O-OG1 3.48Å
126	N	98.8	Very high	97.6	Very high	3 Å²	3	57 Å²	57	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	166.7	-177	-166.2	26.5	0	0	0	112.4	V24 G25 L29 V91 Y92 V94 T155	V24-N126 PolarHBondContact O-ND2 3.24Å; G25-N126 PolarHBondContact O-ND2 3.41Å; L29-N126 HydrophobicContact CD1-CB 4.19Å; V91-N126 HydrophobicContact CG1-CB 3.8Å; Y92-N126 PolarHBondContact O-N 3.2Å; V94-N126 WeakPolarHBondContact CG2-O 3.46Å; V94-N126 PolarHBondContact N-O 3.38Å; N126-T155 CarbonylContact C-O 3.52Å; N126-T155 WeakPolarHBondContact CA-O 3.41Å; N126-T155 WeakPolarHBondContact CA-OG1 3.43Å; N126-T155 PolarHBondContact OD1-O 3.46Å; N126-T155 PolarHBondContact OD1-OG1 3.4Å
127	K	98	Very high	97.8	Very high	56 Å²	56	51.8 Å²	51.8	24%	0.243	26%	0.256	C	S	.	.			trans	64.6	34	179.1	-45.9	-164.8	-167.2	-179.5	0	114.1	G23 V24 S93 V94 T95 D129 L130 T155	G23-K127 VanDerWaalsContact O-CE 3.26Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.24Å; V24-K127 WeakPolarHBondContact O-CE 3.4Å; S93-K127 WeakPolarHBondContact OG-CD 3.45Å; V94-K127 VanDerWaalsContact CG2-O 3.31Å; V94-K127 WeakPolarHBondContact CG2-O 3.26Å; T95-K127 HydrophobicContact CG2-CB 4.48Å; K127-D129 VanDerWaalsContact C-OD1 3.22Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 2.72Å; K127-L130 HydrophobicContact CB-CD1 4.05Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.46Å; K127-L130 PolarHBondContact O-N 3.03Å; K127-T155 PolarHBondContact N-O 3.36Å
128	V	98.4	Very high	98	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.3	179.9	-53.4	0	0	0	0	113.5	V94 L130 M131 R134 E154 T155 L162	V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.31Å; V128-L130 PolarHBondContact O-N 3.29Å; V128-M131 VanDerWaalsContact O-CG 3.31Å; V128-M131 WeakPolarHBondContact O-CG 3.37Å; V128-R134 VanDerWaalsContact CG1-NH2 3.34Å; V128-E154 HydrophobicContact CG1-CB 3.85Å; V128-E154 HydrophobicContact CG1-CG 4.01Å; V128-E154 HydrophobicContact CG2-CB 4.46Å; V128-T155 WeakPolarHBondContact CG2-O 3.23Å; V128-T155 PolarHBondContact N-O 3.46Å; V128-L162 HydrophobicContact CG2-CD2 3.61Å
129	D	97.5	Very high	98.1	Very high	58 Å²	58	49.9 Å²	49.9	31%	0.31	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.4	167.2	62.7	-64	0	0	0	112.5	K127 M131 S156 K158	K127-D129 VanDerWaalsContact C-OD1 3.22Å; K127-D129 VanDerWaalsContact CA-OD1 3.27Å; K127-D129 WeakPolarHBondContact CA-OD1 3.45Å; K127-D129 PolarHBondContact O-N 2.72Å; D129-M131 PolarHBondContact O-N 3.31Å; D129-S156 PolarHBondContact OD1-OG 3.11Å; D129-K158 HydrophobicContact CB-CD 4.46Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å
130	L	96.5	Very high	98.2	Very high	41 Å²	41	51.7 Å²	51.7	22%	0.215	24%	0.243	C	C	.	.			trans	-84.5	49.5	178.6	-57.6	-179.1	0	0	0	112.1	T95 K127 V128 H132 L133 R134	T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CG 4.42Å; K127-L130 HydrophobicContact CB-CD1 4.05Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.46Å; K127-L130 PolarHBondContact O-N 3.03Å; V128-L130 PolarHBondContact O-N 3.29Å; L130-H132 VanDerWaalsContact C-N 3.25Å; L130-H132 PolarHBondContact O-N 2.64Å; L130-H132 VanDerWaalsContact O-N 3.16Å; L130-L133 HydrophobicContact CB-CB 4.35Å; L130-L133 HydrophobicContact CB-CD1 4.5Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 CarbonylContact O-C 3.53Å; L130-L133 WeakPolarHBondContact O-CA 3.47Å; L130-L133 PolarHBondContact O-N 2.96Å; L130-R134 PolarHBondContact O-N 3.26Å
131	M	95	Very high	98.2	Very high	115 Å²	115	51.6 Å²	51.6	57%	0.567	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-53.7	-38.5	-175.6	-72.4	-61.1	-67.5	0	0	113.8	V128 D129 L133 R134	V128-M131 VanDerWaalsContact O-CG 3.31Å; V128-M131 WeakPolarHBondContact O-CG 3.37Å; D129-M131 PolarHBondContact O-N 3.31Å; M131-L133 PolarHBondContact O-N 3.01Å; M131-R134 VanDerWaalsContact O-CB 3.31Å; M131-R134 WeakPolarHBondContact O-CB 3.47Å; M131-R134 PolarHBondContact O-N 3.13Å
132	H	97.1	Very high	98.2	Very high	153 Å²	153	55.8 Å²	55.8	71%	0.708	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.5	-16.5	178.4	66.4	-75.8	0	0	0	113.9	L130	L130-H132 VanDerWaalsContact C-N 3.25Å; L130-H132 PolarHBondContact O-N 2.64Å; L130-H132 VanDerWaalsContact O-N 3.16Å
133	L	97.9	Very high	98.2	Very high	89 Å²	89	61.9 Å²	61.9	47%	0.466	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-108.2	2.9	176.3	-57.6	177.3	0	0	0	112.4	T95 L130 M131 K135	T95-L133 WeakPolarHBondContact CA-O 3.4Å; T95-L133 HydrophobicContact CG2-CB 3.75Å; L130-L133 HydrophobicContact CB-CB 4.35Å; L130-L133 HydrophobicContact CB-CD1 4.5Å; L130-L133 HydrophobicContact CD1-CD1 4.43Å; L130-L133 CarbonylContact O-C 3.53Å; L130-L133 WeakPolarHBondContact O-CA 3.47Å; L130-L133 PolarHBondContact O-N 2.96Å; M131-L133 PolarHBondContact O-N 3.01Å; L133-K135 PolarHBondContact O-N 3.38Å
134	R	98.5	Very high	98.1	Very high	61 Å²	61	62.7 Å²	62.7	23%	0.23	29%	0.292	C	S	.	.			trans	-62.3	121.8	-177.5	176	175.2	-85.6	-150.2	-11.7	109.9	V94 V128 L130 M131 I136 E154	V94-R134 HydrophobicContact CB-CG 4.25Å; V94-R134 HydrophobicContact CG2-CB 4.47Å; V94-R134 HydrophobicContact CG2-CG 4.37Å; V128-R134 VanDerWaalsContact CG1-NH2 3.34Å; L130-R134 PolarHBondContact O-N 3.26Å; M131-R134 VanDerWaalsContact O-CB 3.31Å; M131-R134 WeakPolarHBondContact O-CB 3.47Å; M131-R134 PolarHBondContact O-N 3.13Å; R134-I136 VanDerWaalsContact CD-O 3.3Å; R134-I136 WeakPolarHBondContact CD-O 3.44Å; R134-I136 WeakPolarHBondContact CG-O 3.29Å; R134-E154 IonicContact CZ-OE1 3.45Å; R134-E154 IonicContact NH1-OE1 3.31Å; R134-E154 PolarHBondContact NH1-OE1 2.96Å; R134-E154 IonicContact NH2-OE1 2.73Å; R134-E154 PolarHBondContact NH2-OE1 3.1Å
135	K	98.5	Very high	98.1	Very high	140 Å²	140	62.9 Å²	62.9	61%	0.609	29%	0.294	S	S	*	.			trans	-104.2	-21.2	174.4	-60	-173.5	-173	170.5	0	112.8	V94 T95 L133	V94-K135 PolarHBondContact O-N 3.38Å; T95-K135 VanDerWaalsContact O-CD 3.23Å; T95-K135 WeakPolarHBondContact O-CD 3.39Å; T95-K135 VanDerWaalsContact O-CE 3.24Å; T95-K135 WeakPolarHBondContact O-CE 3.31Å; L133-K135 PolarHBondContact O-N 3.38Å
136	I	98.5	Very high	98.1	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.005	33%	0.326	C	S	.	.	S	Bend	trans	-117.2	124.9	-178.2	-50.5	-61.3	0	0	0	109.6	Y92 V94 K97 F100 R134 Q140	Y92-I136 HydrophobicContact CE2-CB 4.08Å; Y92-I136 HydrophobicContact CE2-CG1 4.32Å; Y92-I136 HydrophobicContact CE2-CG2 3.9Å; V94-I136 PolarHBondContact O-N 2.97Å; V94-I136 VanDerWaalsContact O-N 3.13Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.91Å; F100-I136 HydrophobicContact CB-CD1 4.02Å; F100-I136 HydrophobicContact CB-CG1 3.91Å; F100-I136 HydrophobicContact CD1-CD1 3.88Å; F100-I136 HydrophobicContact CD1-CG1 4.45Å; F100-I136 HydrophobicContact CD1-CG2 4.26Å; F100-I136 HydrophobicContact CD2-CG2 3.86Å; F100-I136 HydrophobicContact CE1-CG2 4.4Å; F100-I136 HydrophobicContact CE2-CG2 4.01Å; F100-I136 HydrophobicContact CG-CD1 4.04Å; F100-I136 HydrophobicContact CG-CG1 4.12Å; F100-I136 HydrophobicContact CG-CG2 3.97Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; R134-I136 VanDerWaalsContact CD-O 3.3Å; R134-I136 WeakPolarHBondContact CD-O 3.44Å; R134-I136 WeakPolarHBondContact CG-O 3.29Å; I136-Q140 HydrophobicContact CG2-CB 3.86Å
137	T	98.3	Very high	98.1	Very high	59 Å²	59	74.3 Å²	74.3	36%	0.362	35%	0.353	S	S	.	.			trans	-76.5	164.3	179.4	72.7	0	0	0	0	111.5	E139 Q140 G141	T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-E139 PolarHBondContact OG1-OE2 3.34Å; T137-Q140 PolarHBondContact O-N 3.34Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.25Å; T137-Q140 PolarHBondContact OG1-OE1 2.94Å; T137-G141 PolarHBondContact O-N 2.81Å
138	R	98.4	Very high	98.1	Very high	117 Å²	117	72.8 Å²	72.8	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-33.8	175.9	-175	175.6	-178.6	-171.4	1.7	111	G141 K142 Y152 E154	R138-G141 PolarHBondContact O-N 2.69Å; R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.93Å; R138-Y152 HydrophobicContact CG-CE1 4.02Å; R138-E154 WeakPolarHBondContact CB-OE1 3.35Å; R138-E154 IonicContact NE-OE2 3.69Å
139	E	98.6	Very high	98.1	Very high	108 Å²	108	79.2 Å²	79.2	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-48.7	179.1	-66	62.6	-135.7	0	0	110.1	T137 G141 K142 E143	T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact O-N 3.16Å; T137-E139 PolarHBondContact OG1-OE2 3.34Å; E139-G141 VanDerWaalsContact C-N 3.31Å; E139-G141 PolarHBondContact O-N 2.75Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-K142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CB 3.28Å; E139-E143 WeakPolarHBondContact O-CG 3.39Å; E139-E143 PolarHBondContact O-N 2.88Å
140	Q	98.6	Very high	98.1	Very high	69 Å²	69	77.3 Å²	77.3	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-42	174.8	-70	174.8	-61.4	0	0	112	F100 I136 T137 E143 M144	F100-Q140 HydrophobicContact CZ-CB 4.07Å; F100-Q140 WeakPolarHBondContact CZ-O 3.32Å; I136-Q140 HydrophobicContact CG2-CB 3.86Å; T137-Q140 PolarHBondContact O-N 3.34Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.4Å; T137-Q140 PolarHBondContact OG1-N 3.25Å; T137-Q140 PolarHBondContact OG1-OE1 2.94Å; Q140-E143 PolarHBondContact O-N 3.45Å; Q140-M144 WeakPolarHBondContact O-CB 3.31Å; Q140-M144 PolarHBondContact O-N 3.5Å
141	G	98.7	Very high	98.2	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.6	-44.5	174.9	0	0	0	0	0	113	Y92 T137 R138 E139 M144 A145 Y152	Y92-G141 WeakPolarHBondContact OH-CA 3.47Å; T137-G141 PolarHBondContact O-N 2.81Å; R138-G141 PolarHBondContact O-N 2.69Å; E139-G141 VanDerWaalsContact C-N 3.31Å; E139-G141 PolarHBondContact O-N 2.75Å; G141-M144 PolarHBondContact O-N 3.09Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.9Å; G141-Y152 VanDerWaalsContact CA-CE2 3.47Å; G141-Y152 WeakPolarHBondContact O-CD2 3.26Å
142	K	98.7	Very high	98.4	Very high	89 Å²	89	74.9 Å²	74.9	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-66.7	-40.3	175.8	-74.2	175.3	177.6	177.5	0	112.6	R138 E139 A145 T146 Y152	R138-K142 WeakPolarHBondContact O-CG 3.47Å; R138-K142 PolarHBondContact O-N 2.93Å; E139-K142 PolarHBondContact O-N 3.49Å; E139-K142 VanDerWaalsContact O-N 3.14Å; K142-A145 PolarHBondContact O-N 3.24Å; K142-T146 WeakPolarHBondContact O-CB 3.3Å; K142-T146 PolarHBondContact O-N 2.81Å; K142-T146 PolarHBondContact O-OG1 3.41Å; K142-Y152 HydrophobicContact CG-CD1 3.74Å; K142-Y152 HydrophobicContact CG-CE1 4.1Å; K142-Y152 HydrophobicContact CG-CG 4.27Å
143	E	98.7	Very high	98.5	Very high	128 Å²	128	68 Å²	68	60%	0.598	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-45.6	175.8	-74.9	169.9	-172.9	0	0	111	E139 Q140 A145 T146 K147	E139-E143 WeakPolarHBondContact O-CB 3.28Å; E139-E143 WeakPolarHBondContact O-CG 3.39Å; E139-E143 PolarHBondContact O-N 2.88Å; Q140-E143 PolarHBondContact O-N 3.45Å; E143-A145 PolarHBondContact O-N 3.28Å; E143-T146 PolarHBondContact O-N 2.97Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.63Å
144	M	98.6	Very high	98.5	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-44.8	174.6	-178	66.5	80.3	0	0	112	F100 V103 L123 Q140 G141 T146 K147 H148	F100-M144 HydrophobicContact CD1-CE 4.39Å; F100-M144 HydrophobicContact CD2-CE 4.49Å; F100-M144 HydrophobicContact CE1-CE 3.86Å; F100-M144 HydrophobicContact CE2-CB 3.65Å; F100-M144 HydrophobicContact CE2-CE 3.98Å; F100-M144 HydrophobicContact CE2-CG 3.98Å; F100-M144 HydrophobicContact CZ-CB 3.78Å; F100-M144 HydrophobicContact CZ-CE 3.65Å; F100-M144 HydrophobicContact CZ-CG 4.29Å; V103-M144 HydrophobicContact CB-CE 4.42Å; V103-M144 HydrophobicContact CB-CG 4.31Å; V103-M144 HydrophobicContact CB-SD 4.42Å; V103-M144 HydrophobicContact CG1-CG 3.74Å; V103-M144 HydrophobicContact CG1-SD 4.11Å; L123-M144 HydrophobicContact CD2-CB 3.86Å; L123-M144 HydrophobicContact CD2-CG 3.66Å; Q140-M144 WeakPolarHBondContact O-CB 3.31Å; Q140-M144 PolarHBondContact O-N 3.5Å; G141-M144 PolarHBondContact O-N 3.09Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.38Å; M144-K147 WeakPolarHBondContact O-CB 3.45Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.3Å; M144-H148 PolarHBondContact O-CD2 2.98Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 3.14Å
145	A	98.7	Very high	98.5	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-38.1	176.5	0	0	0	0	0	112.6	L123 G141 K142 E143 H148 N149 I150 Y152	L123-A145 HydrophobicContact CB-CB 4.32Å; L123-A145 HydrophobicContact CD2-CB 4.02Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.9Å; K142-A145 PolarHBondContact O-N 3.24Å; E143-A145 PolarHBondContact O-N 3.28Å; A145-H148 CarbonylContact O-C 3.54Å; A145-H148 PolarHBondContact O-N 2.68Å; A145-N149 PolarHBondContact O-N 3.01Å; A145-I150 HydrophobicContact CB-CG1 4.48Å; A145-I150 WeakPolarHBondContact CB-O 3.17Å; A145-I150 PolarHBondContact O-N 3.04Å; A145-Y152 HydrophobicContact CB-CD2 4.38Å; A145-Y152 HydrophobicContact CB-CG 4.4Å
146	T	98.5	Very high	98.5	Very high	110 Å²	110	55.9 Å²	55.9	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-68.1	-42.6	177.7	-57.4	0	0	0	0	110.9	K142 E143 M144 H148 N149	K142-T146 WeakPolarHBondContact O-CB 3.3Å; K142-T146 PolarHBondContact O-N 2.81Å; K142-T146 PolarHBondContact O-OG1 3.41Å; E143-T146 PolarHBondContact O-N 2.97Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.38Å; T146-H148 PolarHBondContact O-N 3.24Å; T146-N149 PolarHBondContact O-N 2.75Å; T146-N149 VanDerWaalsContact O-N 3.1Å
147	K	98.3	Very high	98.5	Very high	133 Å²	133	56 Å²	56	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-53.7	-40.5	173.6	175.7	-171.3	176.2	-171.1	0	112	D104 E143 M144	D104-K147 WeakPolarHBondContact OD1-CE 3.43Å; D104-K147 IonicContact OD1-NZ 3.82Å; D104-K147 PolarHBondContact OD1-NZ 2.83Å; D104-K147 IonicContact OD2-NZ 2.77Å; D104-K147 PolarHBondContact OD2-NZ 3.08Å; E143-K147 WeakPolarHBondContact O-CB 3.42Å; E143-K147 PolarHBondContact O-N 2.63Å; M144-K147 WeakPolarHBondContact O-CB 3.45Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.3Å
148	H	98.1	Very high	98.3	Very high	24 Å²	24	57.9 Å²	57.9	11%	0.111	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.4	-179.8	-68	-50.2	0	0	0	114.5	D104 H107 M144 A145 T146 I150	D104-H148 IonicContact OD1-CD2 3.88Å; D104-H148 IonicContact OD1-CE1 3.98Å; D104-H148 PolarHBondContact OD1-CE1 2.88Å; D104-H148 IonicContact OD1-NE2 3.19Å; D104-H148 PolarHBondContact OD1-NE2 3.08Å; H107-H148 AromaticContact CD2-CG 3.91Å; H107-H148 AromaticContact CE1-CG 3.84Å; H107-H148 AromaticContact CE1-ND1 3.38Å; H107-H148 PolarHBondContact CE1-ND1 2.96Å; H107-H148 AromaticContact CG-CG 3.75Å; H107-H148 AromaticContact CG-ND1 3.6Å; H107-H148 AromaticContact ND1-CE1 3.67Å; H107-H148 AromaticContact ND1-CG 3.73Å; H107-H148 AromaticContact ND1-ND1 3.13Å; H107-H148 PolarHBondContact ND1-ND1 2.83Å; H107-H148 VanDerWaalsContact ND1-ND1 3.13Å; H107-H148 AromaticContact NE2-CG 3.99Å; H107-H148 AromaticContact NE2-ND1 4Å; M144-H148 PolarHBondContact O-CD2 2.98Å; M144-H148 VanDerWaalsContact O-CD2 3.26Å; M144-H148 PolarHBondContact O-N 3.14Å; A145-H148 CarbonylContact O-C 3.54Å; A145-H148 PolarHBondContact O-N 2.68Å; T146-H148 PolarHBondContact O-N 3.24Å; H148-I150 VanDerWaalsContact C-N 3.29Å; H148-I150 HydrophobicContact CB-CD1 4.07Å; H148-I150 HydrophobicContact CB-CG1 3.96Å; H148-I150 PolarHBondContact O-N 2.71Å
149	N	97.6	Very high	97.9	Very high	148 Å²	148	58.1 Å²	58.1	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	44.3	-175.3	-169.8	43.2	0	0	0	113.3	A145 T146	A145-N149 PolarHBondContact O-N 3.01Å; T146-N149 PolarHBondContact O-N 2.75Å; T146-N149 VanDerWaalsContact O-N 3.1Å
150	I	98.4	Very high	97.7	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.092	30%	0.299	C	S	.	.			trans	-123.9	153.6	177.3	61.2	179.3	0	0	0	110.5	M121 L123 A145 H148	M121-I150 HydrophobicContact CB-CB 4.49Å; M121-I150 HydrophobicContact CB-CD1 4.41Å; M121-I150 HydrophobicContact CB-CG2 3.91Å; M121-I150 HydrophobicContact CE-CG2 4.38Å; L123-I150 HydrophobicContact CB-CD1 3.94Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; A145-I150 HydrophobicContact CB-CG1 4.48Å; A145-I150 WeakPolarHBondContact CB-O 3.17Å; A145-I150 PolarHBondContact O-N 3.04Å; H148-I150 VanDerWaalsContact C-N 3.29Å; H148-I150 HydrophobicContact CB-CD1 4.07Å; H148-I150 HydrophobicContact CB-CG1 3.96Å; H148-I150 PolarHBondContact O-N 2.71Å
151	P	98.6	Very high	97.6	Very high	58 Å²	58	57.9 Å²	57.9	38%	0.377	30%	0.302	S	S	.	.			trans	-63.8	152.1	175.1	-22.3	34.6	0	0	0	112.8	M121 I122 L123 V174	M121-P151 WeakPolarHBondContact O-CD 3.38Å; I122-P151 HydrophobicContact CG1-CB 4.17Å; I122-P151 HydrophobicContact CG1-CG 4.23Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; L123-P151 PolarHBondContact N-O 3.48Å; P151-V174 HydrophobicContact CG-CG2 3.91Å
152	Y	98.8	Very high	97.6	Very high	46 Å²	46	61.4 Å²	61.4	18%	0.18	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.6	175.8	176.7	-103.8	0	0	0	111.2	Y92 L123 A125 R138 G141 K142 A145 E154	Y92-Y152 HydrophobicContact CE1-CE2 4.35Å; L123-Y152 HydrophobicContact CB-CD2 4.44Å; L123-Y152 HydrophobicContact CD2-CD2 4.15Å; L123-Y152 HydrophobicContact CG-CD2 4.18Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; A125-Y152 HydrophobicContact CB-CE2 3.69Å; A125-Y152 VanDerWaalsContact CB-OH 3.23Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; R138-Y152 HydrophobicContact CG-CE1 4.02Å; G141-Y152 VanDerWaalsContact CA-CE2 3.47Å; G141-Y152 WeakPolarHBondContact O-CD2 3.26Å; K142-Y152 HydrophobicContact CG-CD1 3.74Å; K142-Y152 HydrophobicContact CG-CE1 4.1Å; K142-Y152 HydrophobicContact CG-CG 4.27Å; A145-Y152 HydrophobicContact CB-CD2 4.38Å; A145-Y152 HydrophobicContact CB-CG 4.4Å; Y152-E154 HydrophobicContact CE1-CG 3.69Å; Y152-E154 WeakPolarHBondContact OH-CG 3.23Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å
153	I	98.8	Very high	97.6	Very high	9 Å²	9	60 Å²	60	5%	0.046	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.8	173.3	-165.3	167.6	0	0	0	111.8	I122 L123 V124 A125 T155 N163 K166 A167	I122-I153 HydrophobicContact CG2-CG2 3.72Å; L123-I153 PolarHBondContact O-N 2.89Å; V124-I153 WeakPolarHBondContact CA-O 3.35Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.41Å; V124-I153 HydrophobicContact CG2-CG2 3.91Å; A125-I153 PolarHBondContact N-O 3.35Å; I153-T155 HydrophobicContact CG1-CG2 4.4Å; I153-T155 HydrophobicContact CG2-CG2 4.22Å; I153-N163 HydrophobicContact CD1-CB 3.8Å; I153-N163 HydrophobicContact CG1-CB 3.95Å; I153-K166 HydrophobicContact CD1-CB 3.99Å; I153-K166 HydrophobicContact CD1-CD 3.95Å; I153-K166 HydrophobicContact CD1-CG 3.76Å; I153-A167 HydrophobicContact CD1-CB 4.2Å; I153-A167 HydrophobicContact CG2-CB 4.03Å
154	E	98.8	Very high	97.6	Very high	30 Å²	30	54 Å²	54	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.9	169.8	-75.5	-173.9	145.4	0	0	109.9	A125 V128 R134 R138 Y152 N163	A125-E154 HydrophobicContact CB-CG 4.05Å; A125-E154 CarbonylContact O-C 3.56Å; A125-E154 WeakPolarHBondContact O-CA 3.3Å; V128-E154 HydrophobicContact CG1-CB 3.85Å; V128-E154 HydrophobicContact CG1-CG 4.01Å; V128-E154 HydrophobicContact CG2-CB 4.46Å; R134-E154 IonicContact CZ-OE1 3.45Å; R134-E154 IonicContact NH1-OE1 3.31Å; R134-E154 PolarHBondContact NH1-OE1 2.96Å; R134-E154 IonicContact NH2-OE1 2.73Å; R134-E154 PolarHBondContact NH2-OE1 3.1Å; R138-E154 WeakPolarHBondContact CB-OE1 3.35Å; R138-E154 IonicContact NE-OE2 3.69Å; Y152-E154 HydrophobicContact CE1-CG 3.69Å; Y152-E154 WeakPolarHBondContact OH-CG 3.23Å; Y152-E154 PolarHBondContact OH-OE1 2.85Å; E154-N163 VanDerWaalsContact O-CB 3.23Å; E154-N163 WeakPolarHBondContact O-CB 3.08Å; E154-N163 PolarHBondContact O-ND2 2.98Å
155	T	98.9	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.3	C	S	.	.			trans	-134.3	152.8	-175.8	58.5	0	0	0	0	112.1	V124 A125 N126 K127 V128 I153 L162 N163 A167	V124-T155 HydrophobicContact CG1-CG2 3.71Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.32Å; A125-T155 PolarHBondContact O-N 3.23Å; A125-T155 PolarHBondContact O-OG1 3.48Å; N126-T155 CarbonylContact C-O 3.52Å; N126-T155 WeakPolarHBondContact CA-O 3.41Å; N126-T155 WeakPolarHBondContact CA-OG1 3.43Å; N126-T155 PolarHBondContact OD1-O 3.46Å; N126-T155 PolarHBondContact OD1-OG1 3.4Å; K127-T155 PolarHBondContact N-O 3.36Å; V128-T155 WeakPolarHBondContact CG2-O 3.23Å; V128-T155 PolarHBondContact N-O 3.46Å; I153-T155 HydrophobicContact CG1-CG2 4.4Å; I153-T155 HydrophobicContact CG2-CG2 4.22Å; T155-L162 VanDerWaalsContact CA-O 3.26Å; T155-L162 WeakPolarHBondContact CA-O 3.47Å; T155-N163 HydrophobicContact CG2-CB 4.06Å; T155-A167 HydrophobicContact CG2-CB 4.15Å
156	S	98.4	Very high	97.6	Very high	5 Å²	5	60.4 Å²	60.4	4%	0.035	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-134.6	122.4	165.9	169.5	0	0	0	0	107.8	D129 K158 P161 L162 V164	D129-S156 PolarHBondContact OD1-OG 3.11Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 WeakPolarHBondContact OG-CB 3.33Å; S156-K158 PolarHBondContact OG-N 3.03Å; S156-K158 PolarHBondContact OG-O 3.2Å; S156-P161 WeakPolarHBondContact O-CA 3.44Å; S156-L162 PolarHBondContact N-O 2.97Å; S156-L162 PolarHBondContact O-N 3.36Å; S156-V164 VanDerWaalsContact O-CG2 3.28Å; S156-V164 WeakPolarHBondContact O-CG2 3.5Å
157	A	97.3	Very high	97.6	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.025	29%	0.288	C	S	.	.			trans	-75	-23.2	169.2	0	0	0	0	0	112.2	A28 L29 Q32 F38	A28-A157 HydrophobicContact CB-CB 3.71Å; L29-A157 HydrophobicContact CD2-CB 4.09Å; L29-A157 HydrophobicContact CG-CB 4.43Å; Q32-A157 HydrophobicContact CB-CB 4.33Å; Q32-A157 WeakPolarHBondContact CG-O 3.42Å; Q32-A157 PolarHBondContact NE2-O 3.06Å; F38-A157 HydrophobicContact CD2-CB 4Å; F38-A157 HydrophobicContact CE2-CB 4.23Å
158	K	95.5	Very high	97.6	Very high	100 Å²	100	49 Å²	49	44%	0.435	26%	0.261	S	S	.	.	S	Bend	trans	-65.4	145	179.6	-170.1	176.7	-176.7	177.7	0	110.5	F38 D129 S156 P160 P161	F38-K158 HydrophobicContact CD1-CG 4.46Å; F38-K158 HydrophobicContact CE1-CG 4.48Å; D129-K158 HydrophobicContact CB-CD 4.46Å; D129-K158 WeakPolarHBondContact OD2-CD 3.46Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 WeakPolarHBondContact OG-CB 3.33Å; S156-K158 PolarHBondContact OG-N 3.03Å; S156-K158 PolarHBondContact OG-O 3.2Å; K158-P160 CarbonylContact O-C 3.57Å; K158-P161 VanDerWaalsContact O-CA 3.31Å; K158-P161 WeakPolarHBondContact O-CA 3.46Å
159	D	89.1	Confident	97.6	Very high	122 Å²	122	49.4 Å²	49.4	65%	0.652	26%	0.263	S	S	*	.	S	Bend	trans	-73.2	131.7	175.9	-166.9	58	0	0	0	111.7	P161	D159-P161 VanDerWaalsContact OD1-CD 3.3Å; D159-P161 WeakPolarHBondContact OD1-CD 3.49Å
160	P	95.1	Very high	97.7	Very high	110 Å²	110	43.8 Å²	43.8	71%	0.714	23%	0.233	S	C	*	.	S	Bend	cis	-71.3	133.1	-4.5	29.8	-34.5	0	0	0	112.6	K158	K158-P160 CarbonylContact O-C 3.57Å
161	P	97.2	Very high	97.7	Very high	61 Å²	61	43 Å²	43	40%	0.396	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.5	142.5	-177.4	24.6	-32.5	0	0	0	111.7	Q32 S156 K158 D159 V164	Q32-P161 HydrophobicContact CG-CB 3.87Å; S156-P161 WeakPolarHBondContact O-CA 3.44Å; K158-P161 VanDerWaalsContact O-CA 3.31Å; K158-P161 WeakPolarHBondContact O-CA 3.46Å; D159-P161 VanDerWaalsContact OD1-CD 3.3Å; D159-P161 WeakPolarHBondContact OD1-CD 3.49Å; P161-V164 HydrophobicContact CB-CG2 3.95Å
162	L	98.5	Very high	97.7	Very high	75 Å²	75	40.2 Å²	40.2	39%	0.393	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-114.9	123.2	174.7	-177.3	68.2	0	0	0	109.8	V128 T155 S156 V164	V128-L162 HydrophobicContact CG2-CD2 3.61Å; T155-L162 VanDerWaalsContact CA-O 3.26Å; T155-L162 WeakPolarHBondContact CA-O 3.47Å; S156-L162 PolarHBondContact N-O 2.97Å; S156-L162 PolarHBondContact O-N 3.36Å; L162-V164 PolarHBondContact O-N 3.19Å
163	N	98.6	Very high	97.6	Very high	59 Å²	59	41.4 Å²	41.4	32%	0.316	22%	0.215	S	C	.	.	S	Bend	trans	56.5	13.6	169.9	-69	-34.2	0	0	0	116.5	I153 E154 T155 K166 A167	I153-N163 HydrophobicContact CD1-CB 3.8Å; I153-N163 HydrophobicContact CG1-CB 3.95Å; E154-N163 VanDerWaalsContact O-CB 3.23Å; E154-N163 WeakPolarHBondContact O-CB 3.08Å; E154-N163 PolarHBondContact O-ND2 2.98Å; T155-N163 HydrophobicContact CG2-CB 4.06Å; N163-K166 HydrophobicContact CB-CB 4.33Å; N163-K166 PolarHBondContact O-N 3.42Å; N163-A167 PolarHBondContact O-N 3.41Å
164	V	98.5	Very high	97.6	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-60.3	-178.7	-180	0	0	0	0	110.7	L29 Q32 F33 S156 P161 L162 K166 A167 F168	L29-V164 HydrophobicContact CD2-CG1 4.46Å; L29-V164 HydrophobicContact CD2-CG2 3.9Å; L29-V164 WeakPolarHBondContact O-CG1 3.1Å; Q32-V164 HydrophobicContact CB-CG1 4.23Å; Q32-V164 HydrophobicContact CG-CB 4.37Å; Q32-V164 HydrophobicContact CG-CG1 4.14Å; Q32-V164 HydrophobicContact CG-CG2 3.95Å; F33-V164 HydrophobicContact CB-CG1 3.79Å; S156-V164 VanDerWaalsContact O-CG2 3.28Å; S156-V164 WeakPolarHBondContact O-CG2 3.5Å; P161-V164 HydrophobicContact CB-CG2 3.95Å; L162-V164 PolarHBondContact O-N 3.19Å; V164-K166 PolarHBondContact O-N 3.17Å; V164-A167 PolarHBondContact O-N 3.26Å; V164-A167 VanDerWaalsContact O-N 3.14Å; V164-F168 HydrophobicContact CG1-CE2 4.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.31Å; V164-F168 PolarHBondContact O-N 3.41Å
165	D	97.9	Very high	97.6	Very high	56 Å²	56	41.2 Å²	41.2	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-38.2	175.8	-67.1	-111.6	0	0	0	112.5	F33 K36 A167 F168 H169	F33-D165 HydrophobicContact CD2-CB 4.3Å; F33-D165 HydrophobicContact CE2-CB 4.23Å; K36-D165 IonicContact NZ-OD1 3.12Å; K36-D165 PolarHBondContact NZ-OD1 2.85Å; K36-D165 IonicContact NZ-OD2 2.77Å; K36-D165 PolarHBondContact NZ-OD2 2.83Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 3.22Å; D165-F168 PolarHBondContact O-N 3.29Å; D165-H169 WeakPolarHBondContact O-CB 3.27Å; D165-H169 PolarHBondContact O-N 2.74Å
166	K	98.5	Very high	97.4	Very high	99 Å²	99	42.5 Å²	42.5	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-40.9	179.4	-172.4	176.8	-176.9	-61.4	0	111.6	I153 N163 V164 H169 D170	I153-K166 HydrophobicContact CD1-CB 3.99Å; I153-K166 HydrophobicContact CD1-CD 3.95Å; I153-K166 HydrophobicContact CD1-CG 3.76Å; N163-K166 HydrophobicContact CB-CB 4.33Å; N163-K166 PolarHBondContact O-N 3.42Å; V164-K166 PolarHBondContact O-N 3.17Å; K166-H169 PolarHBondContact O-N 2.77Å; K166-D170 WeakPolarHBondContact CG-OD2 3.31Å; K166-D170 IonicContact NZ-OD2 3.92Å; K166-D170 PolarHBondContact NZ-OD2 3.04Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.95Å
167	A	98.8	Very high	97.1	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-48.3	179.5	0	0	0	0	0	112	L89 I153 T155 N163 V164 D165 L171	L89-A167 HydrophobicContact CD2-CB 4.42Å; I153-A167 HydrophobicContact CD1-CB 4.2Å; I153-A167 HydrophobicContact CG2-CB 4.03Å; T155-A167 HydrophobicContact CG2-CB 4.15Å; N163-A167 PolarHBondContact O-N 3.41Å; V164-A167 PolarHBondContact O-N 3.26Å; V164-A167 VanDerWaalsContact O-N 3.14Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 3.22Å; A167-L171 PolarHBondContact O-N 3.38Å; A167-L171 VanDerWaalsContact O-N 3.14Å
168	F	98.6	Very high	96.6	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-41.9	178.2	-70	-83.7	0	0	0	112.1	L16 V18 F33 V65 L89 V164 D165 L171 V172	L16-F168 HydrophobicContact CD1-CD1 4.12Å; V18-F168 HydrophobicContact CG2-CE1 4.02Å; V18-F168 HydrophobicContact CG2-CZ 4.3Å; F33-F168 HydrophobicContact CB-CD2 3.72Å; F33-F168 HydrophobicContact CB-CE2 3.53Å; F33-F168 HydrophobicContact CB-CZ 4.24Å; F33-F168 HydrophobicContact CD1-CB 4.23Å; F33-F168 HydrophobicContact CD1-CD1 4.06Å; F33-F168 AromaticContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CD2 3.69Å; F33-F168 HydrophobicContact CD1-CE1 4.35Å; F33-F168 HydrophobicContact CD1-CE2 4.03Å; F33-F168 AromaticContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CG 3.72Å; F33-F168 HydrophobicContact CD1-CZ 4.35Å; F33-F168 HydrophobicContact CD2-CB 4.3Å; F33-F168 AromaticContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CD2 3.74Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.22Å; F33-F168 HydrophobicContact CE1-CB 3.89Å; F33-F168 HydrophobicContact CE1-CD1 4.21Å; F33-F168 HydrophobicContact CE1-CD2 4.24Å; F33-F168 AromaticContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE1-CG 3.86Å; F33-F168 HydrophobicContact CE2-CB 3.96Å; F33-F168 HydrophobicContact CE2-CD2 4.27Å; F33-F168 HydrophobicContact CE2-CG 4.33Å; F33-F168 HydrophobicContact CG-CB 4.44Å; F33-F168 AromaticContact CG-CD2 3.42Å; F33-F168 HydrophobicContact CG-CD2 3.42Å; F33-F168 VanDerWaalsContact CG-CD2 3.42Å; F33-F168 AromaticContact CG-CE2 3.76Å; F33-F168 HydrophobicContact CG-CE2 3.76Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.47Å; F33-F168 HydrophobicContact CZ-CB 3.74Å; F33-F168 HydrophobicContact CZ-CD2 4.49Å; F33-F168 HydrophobicContact CZ-CG 4.16Å; V65-F168 HydrophobicContact CG1-CD1 4.37Å; V65-F168 HydrophobicContact CG1-CE1 3.64Å; V65-F168 HydrophobicContact CG1-CZ 4.46Å; V65-F168 HydrophobicContact CG2-CD1 4.15Å; V65-F168 HydrophobicContact CG2-CE1 4.22Å; L89-F168 HydrophobicContact CD1-CD1 3.67Å; L89-F168 HydrophobicContact CD1-CD2 4.38Å; L89-F168 HydrophobicContact CD1-CE1 3.43Å; L89-F168 VanDerWaalsContact CD1-CE1 3.43Å; L89-F168 HydrophobicContact CD1-CE2 4.17Å; L89-F168 HydrophobicContact CD1-CG 4.14Å; L89-F168 HydrophobicContact CD1-CZ 3.71Å; V164-F168 HydrophobicContact CG1-CE2 4.26Å; V164-F168 WeakPolarHBondContact O-CD2 3.31Å; V164-F168 PolarHBondContact O-N 3.41Å; D165-F168 PolarHBondContact O-N 3.29Å; F168-L171 PolarHBondContact O-N 2.84Å; F168-V172 WeakPolarHBondContact O-CG2 3.4Å; F168-V172 PolarHBondContact O-N 3.41Å
169	H	98.6	Very high	95.7	Very high	31 Å²	31	52.1 Å²	52.1	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-39.3	178.7	-68.3	-178.8	0	0	0	112.5	F33 T54 I56 D165 K166 L171 V172 R173	F33-H169 AromaticContact CE2-NE2 3.94Å; F33-H169 AromaticContact CZ-NE2 3.99Å; T54-H169 PolarHBondContact OG1-NE2 2.94Å; I56-H169 HydrophobicContact CD1-CB 4.32Å; I56-H169 HydrophobicContact CG1-CB 4.28Å; I56-H169 HydrophobicContact CG2-CB 4.24Å; D165-H169 WeakPolarHBondContact O-CB 3.27Å; D165-H169 PolarHBondContact O-N 2.74Å; K166-H169 PolarHBondContact O-N 2.77Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.33Å; H169-V172 WeakPolarHBondContact O-CB 3.22Å; H169-V172 PolarHBondContact O-N 3.3Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 2.87Å; H169-R173 VanDerWaalsContact O-N 3.13Å
170	D	98.6	Very high	94.5	Very high	31 Å²	31	50.5 Å²	50.5	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-37.2	175.9	-75.7	-11.1	0	0	0	111.4	I122 K166 V172 R173 V174	I122-D170 VanDerWaalsContact CD1-C 3.47Å; I122-D170 HydrophobicContact CD1-CB 3.52Å; K166-D170 WeakPolarHBondContact CG-OD2 3.31Å; K166-D170 IonicContact NZ-OD2 3.92Å; K166-D170 PolarHBondContact NZ-OD2 3.04Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.95Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 3.18Å; D170-R173 WeakPolarHBondContact O-CA 3.11Å; D170-R173 VanDerWaalsContact O-CB 3.31Å; D170-R173 WeakPolarHBondContact O-CB 3.3Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 IonicContact OD1-CZ 2.63Å; D170-R173 IonicContact OD1-NH1 3.56Å; D170-R173 PolarHBondContact OD1-NH1 3.17Å; D170-V174 WeakPolarHBondContact O-CG2 3.24Å; D170-V174 PolarHBondContact O-N 2.98Å
171	L	98.7	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-40.9	177	-179.6	58.3	0	0	0	111.2	L16 L89 P120 I122 A167 F168 H169 R173 V174 I175	L16-L171 HydrophobicContact CB-CD2 4.1Å; L16-L171 HydrophobicContact CD1-CD2 4.3Å; L16-L171 HydrophobicContact CD2-CD2 3.85Å; L16-L171 HydrophobicContact CD2-CG 4.08Å; L16-L171 HydrophobicContact CG-CD2 4.3Å; L89-L171 HydrophobicContact CD2-CB 4.19Å; L89-L171 HydrophobicContact CD2-CD2 3.97Å; L89-L171 HydrophobicContact CG-CD2 3.87Å; P120-L171 HydrophobicContact CB-CD1 4.41Å; I122-L171 HydrophobicContact CD1-CB 3.97Å; I122-L171 HydrophobicContact CG1-CB 4.45Å; I122-L171 HydrophobicContact CG1-CD1 4.24Å; A167-L171 PolarHBondContact O-N 3.38Å; A167-L171 VanDerWaalsContact O-N 3.14Å; F168-L171 PolarHBondContact O-N 2.84Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.33Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.83Å; L171-V174 PolarHBondContact O-N 3.33Å; L171-I175 HydrophobicContact CG-CD1 4.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L171-I175 PolarHBondContact O-N 3.25Å
172	V	98.4	Very high	90.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-37.6	173.9	176.5	0	0	0	0	111.4	Y14 L16 I56 L63 F168 H169 D170 I175 R176	Y14-V172 HydrophobicContact CD2-CG1 3.77Å; Y14-V172 HydrophobicContact CD2-CG2 4.33Å; Y14-V172 HydrophobicContact CE2-CG1 3.62Å; Y14-V172 HydrophobicContact CG-CG1 4.37Å; L16-V172 HydrophobicContact CD1-CG2 4.13Å; L16-V172 HydrophobicContact CD2-CG2 4.38Å; I56-V172 HydrophobicContact CD1-CB 3.82Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.75Å; L63-V172 HydrophobicContact CD1-CG2 4.36Å; L63-V172 HydrophobicContact CD2-CG2 3.33Å; L63-V172 HydrophobicContact CG-CG2 4.48Å; F168-V172 WeakPolarHBondContact O-CG2 3.4Å; F168-V172 PolarHBondContact O-N 3.41Å; H169-V172 WeakPolarHBondContact O-CB 3.22Å; H169-V172 PolarHBondContact O-N 3.3Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 3.18Å; V172-I175 PolarHBondContact O-N 2.78Å; V172-R176 HydrophobicContact CG1-CG 4.43Å; V172-R176 WeakPolarHBondContact O-CB 3.33Å; V172-R176 VanDerWaalsContact O-CG 3.26Å; V172-R176 WeakPolarHBondContact O-CG 3.31Å; V172-R176 PolarHBondContact O-N 2.83Å
173	R	98	Very high	88.5	Confident	72 Å²	72	57.2 Å²	57.2	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-43.6	174.5	-65.3	175.3	-179.8	111.6	3.9	111.5	I56 D57 H169 D170 L171 R176 Q177	I56-R173 HydrophobicContact CG2-CG 4.39Å; D57-R173 IonicContact OD1-CZ 3.76Å; D57-R173 IonicContact OD1-NE 2.68Å; D57-R173 PolarHBondContact OD1-NE 2.88Å; D57-R173 VanDerWaalsContact OD1-NE 3.09Å; D57-R173 IonicContact OD1-NH2 2.61Å; D57-R173 PolarHBondContact OD1-NH2 2.9Å; D57-R173 WeakPolarHBondContact OD2-CG 3.23Å; D57-R173 IonicContact OD2-CZ 2.75Å; D57-R173 IonicContact OD2-NE 3.36Å; D57-R173 PolarHBondContact OD2-NE 3.25Å; D57-R173 IonicContact OD2-NH2 2.69Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 2.87Å; H169-R173 VanDerWaalsContact O-N 3.13Å; D170-R173 WeakPolarHBondContact O-CA 3.11Å; D170-R173 VanDerWaalsContact O-CB 3.31Å; D170-R173 WeakPolarHBondContact O-CB 3.3Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 IonicContact OD1-CZ 2.63Å; D170-R173 IonicContact OD1-NH1 3.56Å; D170-R173 PolarHBondContact OD1-NH1 3.17Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.83Å; R173-R176 PolarHBondContact O-N 3.4Å; R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 3.48Å; R173-Q177 VanDerWaalsContact O-N 3.11Å
174	V	98	Very high	86.2	Confident	23 Å²	23	58.4 Å²	58.4	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-43.9	175.8	-179.2	0	0	0	0	110.8	P120 I122 P151 D170 L171 R176 Q177	P120-V174 HydrophobicContact CB-CB 4.44Å; P120-V174 HydrophobicContact CB-CG1 3.84Å; I122-V174 HydrophobicContact CD1-CG2 4.25Å; I122-V174 HydrophobicContact CG1-CG2 4.28Å; P151-V174 HydrophobicContact CG-CG2 3.91Å; D170-V174 WeakPolarHBondContact O-CG2 3.24Å; D170-V174 PolarHBondContact O-N 2.98Å; L171-V174 PolarHBondContact O-N 3.33Å; V174-R176 VanDerWaalsContact C-N 3.34Å; V174-R176 PolarHBondContact O-N 3.35Å; V174-Q177 PolarHBondContact O-N 2.83Å
175	I	97.7	Very high	83.8	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.062	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-45.8	176.1	-64.1	165.9	0	0	0	110.7	Y14 L16 D86 P120 L171 V172 Q177 Q178	Y14-I175 HydrophobicContact CD1-CB 4.43Å; Y14-I175 HydrophobicContact CD1-CD1 4.33Å; Y14-I175 HydrophobicContact CD1-CG2 3.75Å; Y14-I175 HydrophobicContact CE1-CG2 3.83Å; L16-I175 HydrophobicContact CD2-CD1 3.46Å; L16-I175 VanDerWaalsContact CD2-CD1 3.46Å; D86-I175 HydrophobicContact CB-CD1 4.03Å; D86-I175 WeakPolarHBondContact O-CG1 3.23Å; P120-I175 HydrophobicContact CB-CB 4.39Å; P120-I175 HydrophobicContact CB-CG1 3.54Å; P120-I175 HydrophobicContact CG-CB 4.41Å; P120-I175 HydrophobicContact CG-CG1 3.94Å; L171-I175 HydrophobicContact CG-CD1 4.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L171-I175 PolarHBondContact O-N 3.25Å; V172-I175 PolarHBondContact O-N 2.78Å; I175-Q177 VanDerWaalsContact C-N 3.26Å; I175-Q177 PolarHBondContact O-N 3.06Å; I175-Q178 PolarHBondContact O-N 3.19Å; I175-Q178 VanDerWaalsContact O-N 3.13Å
176	R	96	Very high	81.5	Confident	26 Å²	26	70 Å²	70	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-31.2	-179.4	-75.4	170.9	175.6	180	-1.1	113.1	Y14 I56 Q59 V172 R173 V174 Q178 I179	Y14-R176 HydrophobicContact CE1-CG 4.46Å; Y14-R176 WeakPolarHBondContact OH-CG 3.5Å; Y14-R176 PolarHBondContact OH-NE 3.48Å; Y14-R176 VanDerWaalsContact OH-NE 3.12Å; I56-R176 PolarHBondContact O-NH1 2.72Å; Q59-R176 PolarHBondContact O-NH2 3.01Å; V172-R176 HydrophobicContact CG1-CG 4.43Å; V172-R176 WeakPolarHBondContact O-CB 3.33Å; V172-R176 VanDerWaalsContact O-CG 3.26Å; V172-R176 WeakPolarHBondContact O-CG 3.31Å; V172-R176 PolarHBondContact O-N 2.83Å; R173-R176 PolarHBondContact O-N 3.4Å; V174-R176 VanDerWaalsContact C-N 3.34Å; V174-R176 PolarHBondContact O-N 3.35Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 2.97Å; R176-I179 PolarHBondContact O-N 3.14Å
177	Q	92.7	Very high	79.1	Confident	154 Å²	154	72.5 Å²	72.5	72%	0.72	35%	0.345	S	S	*	.	H	α-helix	trans	-67.9	-25	177.4	-72	167.8	-0.2	0	0	113.1	R173 V174 I175	R173-Q177 WeakPolarHBondContact O-CG 3.38Å; R173-Q177 PolarHBondContact O-N 3.48Å; R173-Q177 VanDerWaalsContact O-N 3.11Å; V174-Q177 PolarHBondContact O-N 2.83Å; I175-Q177 VanDerWaalsContact C-N 3.26Å; I175-Q177 PolarHBondContact O-N 3.06Å
178	Q	85.8	Confident	76.8	Confident	94 Å²	94	80.5 Å²	80.5	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-85.4	-13.4	179.3	-63.2	-161.2	-4.6	0	0	113.9	P120 I175 R176 P180	P120-Q178 VanDerWaalsContact CG-CD 3.42Å; P120-Q178 HydrophobicContact CG-CG 4.11Å; I175-Q178 PolarHBondContact O-N 3.19Å; I175-Q178 VanDerWaalsContact O-N 3.13Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 2.97Å; Q178-P180 VanDerWaalsContact O-CD 3.31Å; Q178-P180 WeakPolarHBondContact O-CD 3.43Å
179	I	75.7	Confident	74.2	Confident	63 Å²	63	88.2 Å²	88.2	32%	0.323	41%	0.412	S	S	.	.	S	Bend	trans	-82	116.8	178.7	-59	172.7	0	0	0	108.1	R176 E181	R176-I179 PolarHBondContact O-N 3.14Å; I179-E181 PolarHBondContact O-N 2.96Å
180	P	64.8	Low	71.9	Confident	88 Å²	88	91.9 Å²	91.9	57%	0.571	44%	0.437	S	S	*	.			trans	-57	130.2	177.6	-21.9	31.9	0	0	0	110.5	Q178 K182 S183	Q178-P180 VanDerWaalsContact O-CD 3.31Å; Q178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-K182 PolarHBondContact O-N 3.39Å; P180-S183 PolarHBondContact O-N 2.83Å
181	E	58.6	Low	69.2	Low	142 Å²	142	97.1 Å²	97.1	66%	0.664	46%	0.458	S	S	*	.	H	α-helix	trans	-50.2	-27.9	-177.8	-70	-170.3	165.7	0	0	113.7	I179 S183 Q184 K185	I179-E181 PolarHBondContact O-N 2.96Å; E181-S183 PolarHBondContact O-N 3.36Å; E181-Q184 PolarHBondContact O-N 3.31Å; E181-Q184 VanDerWaalsContact O-N 3.12Å; E181-K185 PolarHBondContact O-N 3.27Å
182	K	51	Low	66.5	Low	177 Å²	177	108.4 Å²	108.4	77%	0.77	50%	0.501	S	S	*	.	H	α-helix	trans	-58.1	-30.5	178.1	-71.3	-175.6	179	176.1	0	112.8	P180 K186	P180-K182 PolarHBondContact O-N 3.39Å; K182-K186 PolarHBondContact O-N 3.22Å
183	S	54.2	Low	64.1	Low	67 Å²	67	119.8 Å²	119.8	47%	0.469	54%	0.544	S	S	.	.	H	α-helix	trans	-72.8	-31.7	178.4	-61.1	0	0	0	0	112.5	P180 E181	P180-S183 PolarHBondContact O-N 2.83Å; E181-S183 PolarHBondContact O-N 3.36Å
184	Q	50.4	Low	61.5	Low	85 Å²	85	118.9 Å²	118.9	40%	0.397	56%	0.557	S	S	.	*	H	α-helix	trans	-75.3	-38.2	177.3	-65.7	-176	-4.9	0	0	112	E181 K187 K188	E181-Q184 PolarHBondContact O-N 3.31Å; E181-Q184 VanDerWaalsContact O-N 3.12Å; Q184-K187 PolarHBondContact O-N 3.03Å; Q184-K188 PolarHBondContact O-N 2.73Å
185	K	49.6	Very low	59	Low	138 Å²	138	125.4 Å²	125.4	60%	0.6	59%	0.591	S	S	*	*	H	α-helix	trans	-68.2	-33.2	176.3	-75.6	-179.9	-179.2	166.5	0	112.8	E181 K188 K189	E181-K185 PolarHBondContact O-N 3.27Å; K185-K188 PolarHBondContact O-N 3.31Å; K185-K189 PolarHBondContact O-N 3.23Å
186	K	48.3	Very low	56	Low	163 Å²	163	136.4 Å²	136.4	71%	0.709	63%	0.632	S	S	*	*	H	α-helix	trans	-62.4	-45.3	173.9	-89.9	-173.5	176.9	-179.4	0	111.5	K182 K188 K189 T190	K182-K186 PolarHBondContact O-N 3.22Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.33Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.16Å; K186-T190 PolarHBondContact O-N 2.75Å; K186-T190 PolarHBondContact O-OG1 3.41Å
187	K	49.3	Very low	53.3	Low	153 Å²	153	139.6 Å²	139.6	67%	0.665	66%	0.664	S	S	*	*	H	α-helix	trans	-60.6	-39.4	175.8	-77.2	-172.6	174.7	-176.7	0	112.9	Q184 K191	Q184-K187 PolarHBondContact O-N 3.03Å; K187-K191 PolarHBondContact O-N 3.46Å
188	K	49.2	Very low	50.6	Low	171 Å²	171	139.6 Å²	139.6	74%	0.743	68%	0.675	S	S	*	*	H	α-helix	trans	-67.8	-37.3	174.3	-74.7	-173.8	176.6	178.8	0	112.9	Q184 K185 K186 K191 W192	Q184-K188 PolarHBondContact O-N 2.73Å; K185-K188 PolarHBondContact O-N 3.31Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.33Å; K188-K191 PolarHBondContact O-N 3.43Å; K188-W192 PolarHBondContact O-N 3.19Å
189	K	45.2	Very low	48.2	Very low	163 Å²	163	138.2 Å²	138.2	71%	0.709	69%	0.686	S	S	*	*	H	α-helix	trans	-71.9	-32.7	178.3	-84.7	-168.9	174	-175.6	0	113.6	K185 K186 K191	K185-K189 PolarHBondContact O-N 3.23Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.16Å; K189-K191 VanDerWaalsContact C-N 3.33Å
190	T	49.2	Very low	46.2	Very low	108 Å²	108	141.6 Å²	141.6	66%	0.663	71%	0.709	S	S	*	*	H	α-helix	trans	-67.9	-36.1	171.8	3.6	0	0	0	0	111.4	K186 W192 R193	K186-T190 PolarHBondContact O-N 2.75Å; K186-T190 PolarHBondContact O-OG1 3.41Å; T190-W192 PolarHBondContact O-N 3.44Å; T190-R193 PolarHBondContact O-N 3.16Å
191	K	43.5	Very low	44.9	Very low	141 Å²	141	146.1 Å²	146.1	61%	0.613	72%	0.723	S	S	*	*	H	α-helix	trans	-66.2	-34.1	176.9	-164.4	162.4	-177.5	158.8	0	112.8	D9 K187 K188 K189 R193	D9-K191 IonicContact OD2-NZ 2.9Å; D9-K191 PolarHBondContact OD2-NZ 3.36Å; K187-K191 PolarHBondContact O-N 3.46Å; K188-K191 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact C-N 3.33Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.01Å
192	W	41.9	Very low	43.9	Very low	237 Å²	237	149.5 Å²	149.5	90%	0.898	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-5.1	-178.7	-156.8	44.8	0	0	0	115.3	K188 T190	K188-W192 PolarHBondContact O-N 3.19Å; T190-W192 PolarHBondContact O-N 3.44Å
193	R	47.6	Very low	43.2	Very low	239 Å²	239	149.5 Å²	149.5	90%	0.902	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-1.2	177.3	-100.6	-177.7	154.8	-153.2	-6	114.5	T190 K191	T190-R193 PolarHBondContact O-N 3.16Å; K191-R193 VanDerWaalsContact C-N 3.31Å; K191-R193 PolarHBondContact O-N 3.01Å
194	G	43.4	Very low	42.3	Very low	53 Å²	53	155 Å²	155	55%	0.546	76%	0.76	S	S	.	*	S	Bend	trans	-91.9	-25.8	-172.9	0	0	0	0	0	117	R196	G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.19Å
195	D	44	Very low	41.5	Very low	159 Å²	159	156.5 Å²	156.5	85%	0.85	78%	0.779	S	S	*	*			trans	-88.7	42.2	-167.5	-73	-17.8	0	0	0	114.9
196	R	35.8	Very low	41	Very low	243 Å²	243	156 Å²	156	92%	0.917	79%	0.787	S	S	*	*			trans	-137	69.5	164.4	-82.6	-166.5	-78.1	173.5	-7	111	G194	G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.19Å
197	A	39.9	Very low	40.6	Very low	93 Å²	93	155.4 Å²	155.4	77%	0.769	79%	0.791	S	S	*	*			trans	-162.5	98.1	150.8	0	0	0	0	0	109.1	G199	A197-G199 PolarHBondContact O-N 2.9Å
198	T	35.4	Very low	40.4	Very low	155 Å²	155	159.2 Å²	159.2	95%	0.951	82%	0.817	S	S	*	*			trans	-54.6	113.8	159.9	46.6	0	0	0	0	109.3
199	G	35.2	Very low	40	Very low	65 Å²	65	158.7 Å²	158.7	67%	0.67	82%	0.821	S	S	*	*			trans	-166	87.1	179.1	0	0	0	0	0	111	A197 H201	A197-G199 PolarHBondContact O-N 2.9Å; G199-H201 PolarHBondContact O-N 3.21Å
200	T	34.6	Very low	39.7	Very low	134 Å²	134	158.4 Å²	158.4	82%	0.822	83%	0.827	S	S	*	*			trans	-48.8	118.7	170.2	40.6	0	0	0	0	112.7
201	H	36.7	Very low	39.2	Very low	183 Å²	183	161.2 Å²	161.2	85%	0.847	84%	0.836	S	S	*	*			trans	-143.4	106.9	151.6	-88	-76.2	0	0	0	110.3	G199 L203	G199-H201 PolarHBondContact O-N 3.21Å; H201-L203 PolarHBondContact O-N 3.29Å
202	K	36.8	Very low	38.9	Very low	212 Å²	212	162.4 Å²	162.4	92%	0.922	85%	0.849	S	S	*	*			trans	-63.1	121.6	164.4	-85.1	173.1	169.7	176.2	0	108.3
203	L	37.3	Very low	38.7	Very low	177 Å²	177	157.8 Å²	157.8	93%	0.927	85%	0.846	S	S	*	*			trans	-98.6	109.9	163.9	-79.3	158.6	0	0	0	107.7	H201	H201-L203 PolarHBondContact O-N 3.29Å
204	Q	34.9	Very low	38.1	Very low	182 Å²	182	152.3 Å²	152.3	85%	0.85	84%	0.842	S	S	*	*			trans	-87.8	114.4	174.9	-145	169.7	-17.7	0	0	106.7	V206	Q204-V206 PolarHBondContact O-N 3.46Å
205	C	34.7	Very low	37.8	Very low	117 Å²	117	159.4 Å²	159.4	79%	0.791	86%	0.863	S	S	*	*			trans	-77.9	116.8	175.3	-164.3	0	0	0	0	108.3
206	V	37.7	Very low	37.3	Very low	127 Å²	127	159.5 Å²	159.5	77%	0.77	86%	0.864	S	S	*	*			trans	-86.7	114	171.7	177.8	0	0	0	0	107	Q204	Q204-V206 PolarHBondContact O-N 3.46Å
207	I	40.8	Very low	37.4	Very low	152 Å²	152	152.5 Å²	152.5	78%	0.779	86%	0.86	S	S	*	*			trans	-84.3	124.1	168.3	-63.2	170.8	0	0	0	106.1
208	L	44.9	Very low	37.2	Very low	233 Å²	233	157.9 Å²	157.9	100%	1.22	87%	0.868	S	S	*	*			trans	-64.3	0	170	-75.2	173.2	0	0	0	111.3

Retrieved 208 of 208 residues in 617.5 ms (Link to these results)

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