A0A087Y7T1_POEFO Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession A0A087Y7T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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	N	35.7	Very low	77.8	Confident	186 Å²	186	80.5 Å²	80.5	100%	0.995	34%	0.337	S	S	*	.				0	81.2	0	-59.4	-6.7	0	0	0	109.6	W3	N1-W3 PolarHBondContact O-N 2.86Å
2	R	47.8	Very low	79.5	Confident	211 Å²	211	73.8 Å²	73.8	80%	0.796	31%	0.308	S	S	*	.			trans	-93.4	91.6	177.5	-163.4	-179.3	-73	-175.7	-0.9	106.6
3	W	52.7	Low	80.9	Confident	161 Å²	161	68.7 Å²	68.7	61%	0.61	29%	0.288	S	S	*	.			trans	-63.1	147.9	-179.2	-60.9	85.6	0	0	0	110.4	N1 K5 E126	N1-W3 PolarHBondContact O-N 2.86Å; W3-K5 PolarHBondContact O-N 3.42Å; W3-E126 WeakPolarHBondContact CB-OE1 3.28Å
4	R	60.2	Low	82.1	Confident	152 Å²	152	75.4 Å²	75.4	57%	0.574	31%	0.311	S	S	*	.			trans	-64.1	120.7	179.7	-66.4	-177	163.3	164.3	-2.7	109.1	D79 E126	R4-D79 WeakPolarHBondContact CA-OD1 3.48Å; R4-D79 WeakPolarHBondContact CB-OD1 3.31Å; R4-D79 WeakPolarHBondContact CG-OD1 3.37Å; R4-E126 WeakPolarHBondContact O-CG 3.26Å
5	K	76.6	Confident	83.1	Confident	79 Å²	79	79.7 Å²	79.7	34%	0.343	33%	0.334	S	S	.	.			trans	-138.2	120.8	-171.3	-72.8	-174.5	-176.3	-158.8	0	112.5	W3 R7 D79 G124 E126	W3-K5 PolarHBondContact O-N 3.42Å; K5-R7 PolarHBondContact O-N 3.14Å; K5-D79 PolarHBondContact N-OD2 3.23Å; K5-G124 WeakPolarHBondContact CD-O 3.31Å; K5-E126 VanDerWaalsContact CE-OE1 3.24Å; K5-E126 WeakPolarHBondContact CE-OE1 3.14Å; K5-E126 HydrophobicContact CG-CG 4.37Å
6	L	93.2	Very high	84	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.068	32%	0.324	C	S	.	.			trans	-54.9	130.7	157.6	-62.7	-179.1	0	0	0	108.3	F24 A73 L75 A84 V87 L122 G125	L6-F24 HydrophobicContact CB-CD2 3.73Å; L6-F24 HydrophobicContact CB-CE2 3.84Å; L6-F24 HydrophobicContact CD1-CE2 4.27Å; L6-F24 WeakPolarHBondContact O-CB 3.39Å; L6-F24 WeakPolarHBondContact O-CD2 3.18Å; L6-A73 HydrophobicContact CD2-CB 4.12Å; L6-L75 HydrophobicContact CD2-CD1 4.41Å; L6-L75 HydrophobicContact CD2-CD2 3.62Å; L6-L75 HydrophobicContact CD2-CG 3.73Å; L6-A84 HydrophobicContact CD2-CB 4.46Å; L6-V87 HydrophobicContact CD1-CG1 4.09Å; L6-L122 HydrophobicContact CD1-CD1 4Å; L6-G125 PolarHBondContact N-O 2.86Å
7	R	95.8	Very high	84.8	Confident	79 Å²	79	77.8 Å²	77.8	30%	0.298	33%	0.333	S	S	.	.			trans	-83.4	-40.2	175.7	-60.6	-69.8	-72.5	-113.5	-7.3	110.3	K5 F24 V25 L59 G74 E76	K5-R7 PolarHBondContact O-N 3.14Å; R7-F24 PolarHBondContact O-N 3.07Å; R7-V25 HydrophobicContact CB-CG2 4.31Å; R7-L59 HydrophobicContact CG-CD2 4.08Å; R7-G74 PolarHBondContact N-O 3.48Å; R7-E76 HydrophobicContact CG-CG 4.39Å; R7-E76 IonicContact CZ-OE1 2.82Å; R7-E76 IonicContact NH1-OE1 2.88Å; R7-E76 PolarHBondContact NH1-OE1 3.22Å
8	F	97.9	Very high	85.6	Confident	4 Å²	4	76.6 Å²	76.6	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.6	177.6	60.3	-101	0	0	0	111.5	L10 K22 W23 V35 M39 L59 I61 A73 G74	F8-L10 HydrophobicContact CD2-CD1 4.06Å; F8-L10 HydrophobicContact CD2-CD2 4.47Å; F8-L10 HydrophobicContact CD2-CG 3.79Å; F8-L10 HydrophobicContact CE2-CD1 4.02Å; F8-L10 HydrophobicContact CE2-CG 4.21Å; F8-K22 CarbonylContact C-O 3.57Å; F8-K22 WeakPolarHBondContact CA-O 3.4Å; F8-K22 WeakPolarHBondContact CB-O 3.28Å; F8-W23 HydrophobicContact CB-CD2 4.19Å; F8-W23 HydrophobicContact CB-CE3 3.62Å; F8-W23 HydrophobicContact CB-CH2 4.33Å; F8-W23 HydrophobicContact CB-CZ3 3.7Å; F8-W23 HydrophobicContact CD1-CE3 4.37Å; F8-W23 HydrophobicContact CD1-CH2 4.46Å; F8-W23 AromaticContact CD1-CZ3 3.76Å; F8-W23 HydrophobicContact CD1-CZ3 3.76Å; F8-W23 HydrophobicContact CG-CE3 4.31Å; F8-W23 HydrophobicContact CG-CH2 4.37Å; F8-W23 AromaticContact CG-CZ3 3.88Å; F8-W23 HydrophobicContact CG-CZ3 3.88Å; F8-V35 HydrophobicContact CD1-CG1 4.06Å; F8-V35 HydrophobicContact CE1-CG1 3.57Å; F8-V35 HydrophobicContact CE2-CG1 4.19Å; F8-V35 HydrophobicContact CZ-CG1 3.63Å; F8-M39 HydrophobicContact CE2-CG 4.13Å; F8-M39 HydrophobicContact CE2-SD 4.28Å; F8-M39 HydrophobicContact CZ-CG 4.14Å; F8-M39 HydrophobicContact CZ-SD 3.99Å; F8-L59 HydrophobicContact CE1-CD1 4.06Å; F8-I61 HydrophobicContact CZ-CD1 3.95Å; F8-A73 VanDerWaalsContact O-CA 3.3Å; F8-A73 WeakPolarHBondContact O-CA 3.29Å; F8-G74 PolarHBondContact O-N 3.3Å; F8-G74 VanDerWaalsContact O-N 3.15Å
9	L	98.4	Very high	86.2	Confident	0 Å²	0	76 Å²	76	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.9	167.9	-174.7	154.6	0	0	0	108.8	L11 L20 K22 F24 C72 L88 L118 L122	L9-L11 HydrophobicContact CD2-CD1 3.31Å; L9-L20 HydrophobicContact CD2-CD2 4.03Å; L9-K22 PolarHBondContact N-O 3.4Å; L9-K22 PolarHBondContact O-N 3.33Å; L9-F24 HydrophobicContact CB-CE2 4.14Å; L9-C72 CarbonylContact C-O 3.54Å; L9-C72 WeakPolarHBondContact CA-O 3.27Å; L9-L88 HydrophobicContact CD1-CD2 3.68Å; L9-L88 HydrophobicContact CG-CD2 4.1Å; L9-L118 HydrophobicContact CD1-CD1 4.25Å; L9-L118 HydrophobicContact CD2-CD2 4.34Å; L9-L122 HydrophobicContact CD1-CD1 4.22Å
10	L	98.7	Very high	86.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.6	-177.5	-54.9	176.9	0	0	0	110.2	F8 F12 L18 L20 Q21 W23 I36 M39 C72	F8-L10 HydrophobicContact CD2-CD1 4.06Å; F8-L10 HydrophobicContact CD2-CD2 4.47Å; F8-L10 HydrophobicContact CD2-CG 3.79Å; F8-L10 HydrophobicContact CE2-CD1 4.02Å; F8-L10 HydrophobicContact CE2-CG 4.21Å; L10-F12 HydrophobicContact CB-CD1 4.25Å; L10-F12 HydrophobicContact CB-CE1 4.43Å; L10-L18 HydrophobicContact CB-CD1 4.37Å; L10-L18 HydrophobicContact CD2-CD1 4.34Å; L10-L20 WeakPolarHBondContact CA-O 3.35Å; L10-Q21 HydrophobicContact CD2-CB 3.62Å; L10-W23 HydrophobicContact CD2-CZ2 4.1Å; L10-I36 HydrophobicContact CD1-CG1 4.02Å; L10-I36 HydrophobicContact CD2-CG1 4.06Å; L10-M39 HydrophobicContact CD1-CB 4.14Å; L10-M39 HydrophobicContact CD1-CG 3.92Å; L10-C72 HydrophobicContact CB-CB 4.47Å; L10-C72 PolarHBondContact N-O 3.27Å; L10-C72 PolarHBondContact O-N 3.16Å
11	L	98.5	Very high	87.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	164.7	-79.1	56.9	0	0	0	108.7	L9 L18 R19 L20 Y70 F71 Y91 I107	L9-L11 HydrophobicContact CD2-CD1 3.31Å; L11-L18 WeakPolarHBondContact O-CD1 3.28Å; L11-R19 HydrophobicContact CB-CB 4.22Å; L11-R19 PolarHBondContact O-N 3.2Å; L11-L20 HydrophobicContact CB-CB 3.97Å; L11-L20 HydrophobicContact CD1-CB 4.28Å; L11-L20 HydrophobicContact CD1-CD2 4.29Å; L11-L20 HydrophobicContact CD2-CB 4.1Å; L11-L20 HydrophobicContact CG-CB 4.35Å; L11-L20 PolarHBondContact N-O 2.72Å; L11-L20 PolarHBondContact O-N 3.05Å; L11-Y70 VanDerWaalsContact CA-O 3.3Å; L11-Y70 WeakPolarHBondContact CA-O 3.49Å; L11-F71 HydrophobicContact CD1-CD1 3.55Å; L11-F71 HydrophobicContact CD1-CE1 3.71Å; L11-F71 HydrophobicContact CD1-CG 4.2Å; L11-F71 HydrophobicContact CD1-CZ 4.46Å; L11-F71 HydrophobicContact CD2-CD1 4.25Å; L11-F71 HydrophobicContact CD2-CE1 3.58Å; L11-F71 HydrophobicContact CD2-CE2 4.41Å; L11-F71 HydrophobicContact CD2-CZ 3.66Å; L11-F71 HydrophobicContact CG-CD1 3.78Å; L11-F71 HydrophobicContact CG-CD2 4.41Å; L11-F71 HydrophobicContact CG-CE1 3.63Å; L11-F71 HydrophobicContact CG-CE2 4.28Å; L11-F71 HydrophobicContact CG-CG 4.16Å; L11-F71 HydrophobicContact CG-CZ 3.89Å; L11-Y91 HydrophobicContact CD1-CE1 4.34Å; L11-Y91 HydrophobicContact CD2-CE1 4.42Å; L11-I107 HydrophobicContact CD2-CD1 4.04Å; L11-I107 HydrophobicContact CD2-CG2 4.46Å
12	F	98.6	Very high	90.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151	171.7	52.4	-91.2	0	0	0	110.9	L10 K17 M39 I40 V43 L44 Y70 C72	L10-F12 HydrophobicContact CB-CD1 4.25Å; L10-F12 HydrophobicContact CB-CE1 4.43Å; F12-K17 CarbonylContact C-O 3.54Å; F12-K17 WeakPolarHBondContact CA-O 3.24Å; F12-K17 WeakPolarHBondContact CB-O 3.06Å; F12-M39 HydrophobicContact CE1-CB 4.46Å; F12-I40 HydrophobicContact CB-CG1 4.42Å; F12-I40 HydrophobicContact CD1-CG1 4.16Å; F12-I40 HydrophobicContact CD2-CG1 3.93Å; F12-I40 HydrophobicContact CE1-CG1 4.42Å; F12-I40 HydrophobicContact CE2-CG1 4.2Å; F12-I40 HydrophobicContact CG-CG1 3.91Å; F12-I40 HydrophobicContact CZ-CG1 4.44Å; F12-V43 HydrophobicContact CE2-CB 4.26Å; F12-V43 HydrophobicContact CE2-CG1 4.13Å; F12-V43 HydrophobicContact CZ-CB 3.89Å; F12-V43 HydrophobicContact CZ-CG1 3.93Å; F12-V43 HydrophobicContact CZ-CG2 4.32Å; F12-L44 HydrophobicContact CD2-CD2 4.11Å; F12-L44 HydrophobicContact CE2-CD2 3.93Å; F12-L44 HydrophobicContact CE2-CG 4.19Å; F12-Y70 HydrophobicContact CD2-CD2 4.29Å; F12-Y70 HydrophobicContact CD2-CG 4.34Å; F12-Y70 HydrophobicContact CE2-CD2 4.17Å; F12-Y70 AromaticContact CE2-CG 3.89Å; F12-Y70 HydrophobicContact CE2-CG 3.89Å; F12-Y70 PolarHBondContact N-O 3.37Å; F12-Y70 WeakPolarHBondContact O-CB 3.32Å; F12-Y70 PolarHBondContact O-N 3.34Å; F12-C72 HydrophobicContact CE1-CB 3.78Å; F12-C72 HydrophobicContact CZ-CB 4.27Å
13	N	98	Very high	92.7	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-178.9	-177.4	77.3	1.3	0	0	0	112.8	Q15 G16 K17 R19 S68 L69 E104	N13-Q15 PolarHBondContact O-N 2.76Å; N13-Q15 VanDerWaalsContact O-N 3.11Å; N13-Q15 WeakPolarHBondContact OD1-CA 3.06Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.27Å; N13-Q15 PolarHBondContact OD1-N 3.1Å; N13-G16 PolarHBondContact O-N 2.99Å; N13-G16 PolarHBondContact OD1-N 3.24Å; N13-K17 PolarHBondContact N-O 3.37Å; N13-K17 WeakPolarHBondContact OD1-CB 3.37Å; N13-K17 PolarHBondContact OD1-N 3.45Å; N13-R19 PolarHBondContact ND2-NH2 3.47Å; N13-S68 CarbonylContact C-O 3.47Å; N13-S68 WeakPolarHBondContact CA-O 3.49Å; N13-L69 HydrophobicContact CB-CD2 4.03Å; N13-E104 WeakPolarHBondContact CB-OE1 3.47Å; N13-E104 PolarHBondContact ND2-OE1 2.89Å
14	R	97.1	Very high	94.7	Very high	162 Å²	162	51.1 Å²	51.1	61%	0.611	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.5	177.4	-62.9	-177.6	70.6	-177.4	0.7	115	G16 S68 Y70	R14-G16 VanDerWaalsContact C-N 3.33Å; R14-S68 PolarHBondContact N-O 3.15Å; R14-S68 VanDerWaalsContact N-O 3.16Å; R14-Y70 HydrophobicContact CG-CE2 4.19Å
15	Q	97.3	Very high	96.3	Very high	141 Å²	141	45.4 Å²	45.4	66%	0.659	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	1.5	176.7	-61.1	172.4	-0.2	0	0	112.1	N13 K17	N13-Q15 PolarHBondContact O-N 2.76Å; N13-Q15 VanDerWaalsContact O-N 3.11Å; N13-Q15 WeakPolarHBondContact OD1-CA 3.06Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.27Å; N13-Q15 PolarHBondContact OD1-N 3.1Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CG 4.32Å; Q15-K17 PolarHBondContact O-N 3.27Å
16	G	97.3	Very high	97.1	Very high	17 Å²	17	48.3 Å²	48.3	18%	0.175	23%	0.229	C	C	.	.			trans	74.8	12.7	-174.2	0	0	0	0	0	113.8	N13 R14 L18 I40	N13-G16 PolarHBondContact O-N 2.99Å; N13-G16 PolarHBondContact OD1-N 3.24Å; R14-G16 VanDerWaalsContact C-N 3.33Å; G16-L18 PolarHBondContact O-N 3.43Å; G16-I40 VanDerWaalsContact O-CD1 3.23Å; G16-I40 WeakPolarHBondContact O-CD1 3.49Å
17	K	98.1	Very high	97.1	Very high	109 Å²	109	48.7 Å²	48.7	47%	0.474	23%	0.232	S	C	.	.			trans	-76.2	121.1	174.8	-65.6	-180	177.2	165.8	0	109.1	F12 N13 Q15	F12-K17 CarbonylContact C-O 3.54Å; F12-K17 WeakPolarHBondContact CA-O 3.24Å; F12-K17 WeakPolarHBondContact CB-O 3.06Å; N13-K17 PolarHBondContact N-O 3.37Å; N13-K17 WeakPolarHBondContact OD1-CB 3.37Å; N13-K17 PolarHBondContact OD1-N 3.45Å; Q15-K17 VanDerWaalsContact C-N 3.26Å; Q15-K17 HydrophobicContact CB-CG 4.32Å; Q15-K17 PolarHBondContact O-N 3.27Å
18	L	98.3	Very high	97.2	Very high	56 Å²	56	48.1 Å²	48.1	29%	0.293	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.3	176	-168	74.9	0	0	0	110.1	L10 L11 G16 Q21 I36	L10-L18 HydrophobicContact CB-CD1 4.37Å; L10-L18 HydrophobicContact CD2-CD1 4.34Å; L11-L18 WeakPolarHBondContact O-CD1 3.28Å; G16-L18 PolarHBondContact O-N 3.43Å; L18-Q21 HydrophobicContact CD2-CB 4.02Å; L18-Q21 HydrophobicContact CD2-CG 3.82Å; L18-I36 HydrophobicContact CD1-CG1 4.49Å; L18-I36 HydrophobicContact CD1-CG2 4.21Å; L18-I36 HydrophobicContact CD2-CD1 3.82Å
19	R	98.1	Very high	97.2	Very high	66 Å²	66	52.8 Å²	52.8	25%	0.249	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-34.5	177.8	-56.4	-49.6	-174.8	-179.3	8	112.3	L11 N13 L69 E104 I107	L11-R19 HydrophobicContact CB-CB 4.22Å; L11-R19 PolarHBondContact O-N 3.2Å; N13-R19 PolarHBondContact ND2-NH2 3.47Å; R19-L69 HydrophobicContact CG-CD2 3.83Å; R19-E104 IonicContact CZ-OE1 3.21Å; R19-E104 IonicContact NE-OE1 3.82Å; R19-E104 PolarHBondContact NE-OE1 3.41Å; R19-E104 IonicContact NH2-OE1 2.75Å; R19-E104 PolarHBondContact NH2-OE1 3.35Å; R19-I107 HydrophobicContact CB-CG2 4.39Å
20	L	98.4	Very high	97.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143	177.7	-171.5	149.8	0	0	0	109.6	L9 L10 L11 K22 A114 Y115 L118	L9-L20 HydrophobicContact CD2-CD2 4.03Å; L10-L20 WeakPolarHBondContact CA-O 3.35Å; L11-L20 HydrophobicContact CB-CB 3.97Å; L11-L20 HydrophobicContact CD1-CB 4.28Å; L11-L20 HydrophobicContact CD1-CD2 4.29Å; L11-L20 HydrophobicContact CD2-CB 4.1Å; L11-L20 HydrophobicContact CG-CB 4.35Å; L11-L20 PolarHBondContact N-O 2.72Å; L11-L20 PolarHBondContact O-N 3.05Å; L20-K22 HydrophobicContact CD2-CB 4.33Å; L20-A114 HydrophobicContact CD1-CB 4.19Å; L20-Y115 HydrophobicContact CD1-CD1 4.32Å; L20-Y115 HydrophobicContact CD1-CD2 4.33Å; L20-Y115 HydrophobicContact CD1-CE1 4.28Å; L20-Y115 HydrophobicContact CD1-CE2 4.28Å; L20-Y115 HydrophobicContact CD1-CG 4.34Å; L20-Y115 HydrophobicContact CD2-CE1 4.12Å; L20-Y115 HydrophobicContact CG-CD1 4.33Å; L20-Y115 HydrophobicContact CG-CE1 3.81Å; L20-Y115 HydrophobicContact CG-CE2 4.05Å; L20-L118 HydrophobicContact CD1-CD2 4.33Å; L20-L118 HydrophobicContact CD2-CD2 3.62Å
21	Q	98.2	Very high	97.1	Very high	69 Å²	69	67.9 Å²	67.9	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	119.1	168.8	48	167.3	-15.1	0	0	110.5	L10 L18 Y115	L10-Q21 HydrophobicContact CD2-CB 3.62Å; L18-Q21 HydrophobicContact CD2-CB 4.02Å; L18-Q21 HydrophobicContact CD2-CG 3.82Å; Q21-Y115 PolarHBondContact N-OH 2.85Å; Q21-Y115 WeakPolarHBondContact O-CE1 3.49Å; Q21-Y115 PolarHBondContact O-OH 3.3Å
22	K	97.7	Very high	97.1	Very high	48 Å²	48	71.3 Å²	71.3	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	171.4	-170.3	72.2	177.5	-170.5	0	108.9	F8 L9 L20 F24 L118 D119	F8-K22 CarbonylContact C-O 3.57Å; F8-K22 WeakPolarHBondContact CA-O 3.4Å; F8-K22 WeakPolarHBondContact CB-O 3.28Å; L9-K22 PolarHBondContact N-O 3.4Å; L9-K22 PolarHBondContact O-N 3.33Å; L20-K22 HydrophobicContact CD2-CB 4.33Å; K22-F24 HydrophobicContact CB-CE2 4.49Å; K22-F24 HydrophobicContact CB-CZ 4.21Å; K22-F24 HydrophobicContact CD-CE1 4.42Å; K22-F24 HydrophobicContact CG-CD1 4.1Å; K22-F24 HydrophobicContact CG-CE1 3.51Å; K22-F24 HydrophobicContact CG-CE2 4.12Å; K22-F24 HydrophobicContact CG-CZ 3.52Å; K22-L118 HydrophobicContact CB-CD2 3.7Å; K22-L118 HydrophobicContact CD-CD2 4.42Å; K22-L118 HydrophobicContact CG-CD2 4.01Å; K22-D119 WeakPolarHBondContact CE-OD1 3.47Å; K22-D119 IonicContact NZ-OD1 2.84Å; K22-D119 PolarHBondContact NZ-OD1 3.04Å; K22-D119 IonicContact NZ-OD2 2.74Å; K22-D119 PolarHBondContact NZ-OD2 3.42Å
23	W	97.4	Very high	97.1	Very high	37 Å²	37	78.4 Å²	78.4	14%	0.14	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.9	177.4	-59.7	91.9	0	0	0	108.2	F8 L10 T27 R32 V35 I36	F8-W23 HydrophobicContact CB-CD2 4.19Å; F8-W23 HydrophobicContact CB-CE3 3.62Å; F8-W23 HydrophobicContact CB-CH2 4.33Å; F8-W23 HydrophobicContact CB-CZ3 3.7Å; F8-W23 HydrophobicContact CD1-CE3 4.37Å; F8-W23 HydrophobicContact CD1-CH2 4.46Å; F8-W23 AromaticContact CD1-CZ3 3.76Å; F8-W23 HydrophobicContact CD1-CZ3 3.76Å; F8-W23 HydrophobicContact CG-CE3 4.31Å; F8-W23 HydrophobicContact CG-CH2 4.37Å; F8-W23 AromaticContact CG-CZ3 3.88Å; F8-W23 HydrophobicContact CG-CZ3 3.88Å; L10-W23 HydrophobicContact CD2-CZ2 4.1Å; W23-T27 HydrophobicContact CE3-CG2 4.1Å; W23-T27 HydrophobicContact CZ3-CG2 4.2Å; W23-R32 HydrophobicContact CD2-CG 3.75Å; W23-R32 VanDerWaalsContact CE2-CG 3.44Å; W23-R32 HydrophobicContact CE3-CG 4.14Å; W23-R32 HydrophobicContact CG-CG 4.31Å; W23-R32 HydrophobicContact CH2-CB 4.06Å; W23-R32 HydrophobicContact CH2-CG 4.09Å; W23-R32 HydrophobicContact CZ2-CB 3.54Å; W23-R32 HydrophobicContact CZ2-CG 3.64Å; W23-R32 HydrophobicContact CZ3-CG 4.3Å; W23-V35 HydrophobicContact CH2-CB 3.72Å; W23-V35 HydrophobicContact CH2-CG1 3.64Å; W23-V35 HydrophobicContact CH2-CG2 4.22Å; W23-V35 HydrophobicContact CZ3-CB 4.25Å; W23-V35 HydrophobicContact CZ3-CG1 4.05Å; W23-V35 HydrophobicContact CZ3-CG2 4.3Å; W23-I36 HydrophobicContact CZ2-CD1 4.05Å; W23-I36 HydrophobicContact CZ2-CG1 4.08Å
24	F	95.2	Very high	97.1	Very high	31 Å²	31	82.9 Å²	82.9	14%	0.136	39%	0.389	C	S	.	.	S	Bend	trans	-92.9	-11.4	-178.1	-59.2	-70.6	0	0	0	112.5	L6 R7 L9 K22 L122 G125	L6-F24 HydrophobicContact CB-CD2 3.73Å; L6-F24 HydrophobicContact CB-CE2 3.84Å; L6-F24 HydrophobicContact CD1-CE2 4.27Å; L6-F24 WeakPolarHBondContact O-CB 3.39Å; L6-F24 WeakPolarHBondContact O-CD2 3.18Å; R7-F24 PolarHBondContact O-N 3.07Å; L9-F24 HydrophobicContact CB-CE2 4.14Å; K22-F24 HydrophobicContact CB-CE2 4.49Å; K22-F24 HydrophobicContact CB-CZ 4.21Å; K22-F24 HydrophobicContact CD-CE1 4.42Å; K22-F24 HydrophobicContact CG-CD1 4.1Å; K22-F24 HydrophobicContact CG-CE1 3.51Å; K22-F24 HydrophobicContact CG-CE2 4.12Å; K22-F24 HydrophobicContact CG-CZ 3.52Å; F24-L122 HydrophobicContact CE1-CB 4.12Å; F24-L122 HydrophobicContact CZ-CB 4.11Å; F24-L122 HydrophobicContact CZ-CD1 3.85Å; F24-G125 VanDerWaalsContact CG-CA 3.45Å
25	V	93.3	Very high	97.2	Very high	33 Å²	33	75.4 Å²	75.4	20%	0.2	36%	0.362	C	S	.	.	S	Bend	trans	-117.1	145.3	171.6	-63.8	0	0	0	0	110.8	R7 T27	R7-V25 HydrophobicContact CB-CG2 4.31Å; V25-T27 PolarHBondContact O-N 3.42Å; V25-T27 VanDerWaalsContact O-N 3.07Å; V25-T27 PolarHBondContact O-OG1 2.92Å
26	P	93.2	Very high	97.2	Very high	139 Å²	139	69.9 Å²	69.9	90%	0.903	34%	0.336	S	S	*	.			trans	-52.8	119.1	171.4	-25.2	34.6	0	0	0	110.1
27	T	94.8	Very high	97.3	Very high	21 Å²	21	76.2 Å²	76.2	13%	0.129	36%	0.355	C	S	.	.			trans	-139.3	129.6	-175.5	-50.6	0	0	0	0	108.1	W23 V25 E31 R32	W23-T27 HydrophobicContact CE3-CG2 4.1Å; W23-T27 HydrophobicContact CZ3-CG2 4.2Å; V25-T27 PolarHBondContact O-N 3.42Å; V25-T27 VanDerWaalsContact O-N 3.07Å; V25-T27 PolarHBondContact O-OG1 2.92Å; T27-E31 HydrophobicContact CG2-CB 3.85Å; T27-E31 HydrophobicContact CG2-CG 3.76Å; T27-R32 HydrophobicContact CG2-CG 3.68Å; T27-R32 VanDerWaalsContact O-CZ 3.26Å; T27-R32 PolarHBondContact O-NE 2.94Å; T27-R32 VanDerWaalsContact O-NE 3.15Å
28	S	97.6	Very high	97.3	Very high	67 Å²	67	72.7 Å²	72.7	47%	0.469	34%	0.341	S	S	.	.			trans	-67.5	149.5	178.4	70.4	0	0	0	0	111.5	R30 E31 R32	S28-R30 PolarHBondContact O-N 2.99Å; S28-E31 WeakPolarHBondContact O-CA 3.5Å; S28-E31 WeakPolarHBondContact O-CB 3.12Å; S28-E31 PolarHBondContact O-N 3.04Å; S28-E31 WeakPolarHBondContact OG-CB 3.06Å; S28-E31 PolarHBondContact OG-N 3.06Å; S28-R32 WeakPolarHBondContact O-CG 3.17Å; S28-R32 PolarHBondContact O-N 2.98Å
29	D	97.4	Very high	97.3	Very high	103 Å²	103	70.1 Å²	70.1	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-31.4	-179.7	-69.3	-21.4	0	0	0	113.5	E31 R32 K33	D29-E31 VanDerWaalsContact C-N 3.34Å; D29-R32 IonicContact OD1-CZ 3.96Å; D29-R32 IonicContact OD1-NH1 2.82Å; D29-R32 PolarHBondContact OD1-NH1 3.37Å; D29-K33 WeakPolarHBondContact O-CB 3.4Å; D29-K33 VanDerWaalsContact O-CG 3.3Å; D29-K33 WeakPolarHBondContact O-CG 3.48Å; D29-K33 PolarHBondContact O-N 2.84Å
30	R	98	Very high	97.3	Very high	221 Å²	221	68.3 Å²	68.3	83%	0.834	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-45	173	-177.8	-179.6	178.7	-175.8	0.2	111.1	S28 K34	S28-R30 PolarHBondContact O-N 2.99Å; R30-K34 PolarHBondContact O-N 3.28Å
31	E	97.4	Very high	97.3	Very high	95 Å²	95	74.2 Å²	74.2	44%	0.444	35%	0.352	S	S	.	.	H	α-helix	trans	-71.2	-42.4	179.1	-176.5	169.9	-161.3	0	0	111.7	T27 S28 D29 K33 K34 V35	T27-E31 HydrophobicContact CG2-CB 3.85Å; T27-E31 HydrophobicContact CG2-CG 3.76Å; S28-E31 WeakPolarHBondContact O-CA 3.5Å; S28-E31 WeakPolarHBondContact O-CB 3.12Å; S28-E31 PolarHBondContact O-N 3.04Å; S28-E31 WeakPolarHBondContact OG-CB 3.06Å; S28-E31 PolarHBondContact OG-N 3.06Å; D29-E31 VanDerWaalsContact C-N 3.34Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.36Å; E31-K34 WeakPolarHBondContact O-CA 3.2Å; E31-K34 WeakPolarHBondContact O-CB 3.45Å; E31-K34 PolarHBondContact O-N 3.11Å; E31-V35 HydrophobicContact CG-CG2 4.27Å; E31-V35 VanDerWaalsContact O-CG2 3.32Å; E31-V35 WeakPolarHBondContact O-CG2 3.1Å; E31-V35 PolarHBondContact O-N 3.22Å
32	R	98.3	Very high	97.3	Very high	73 Å²	73	74.5 Å²	74.5	28%	0.275	36%	0.355	S	S	.	.	H	α-helix	trans	-53.6	-50.2	174	-66.4	-180	172.6	154.7	-5.2	111.7	W23 T27 S28 D29 K34 V35 I36	W23-R32 HydrophobicContact CD2-CG 3.75Å; W23-R32 VanDerWaalsContact CE2-CG 3.44Å; W23-R32 HydrophobicContact CE3-CG 4.14Å; W23-R32 HydrophobicContact CG-CG 4.31Å; W23-R32 HydrophobicContact CH2-CB 4.06Å; W23-R32 HydrophobicContact CH2-CG 4.09Å; W23-R32 HydrophobicContact CZ2-CB 3.54Å; W23-R32 HydrophobicContact CZ2-CG 3.64Å; W23-R32 HydrophobicContact CZ3-CG 4.3Å; T27-R32 HydrophobicContact CG2-CG 3.68Å; T27-R32 VanDerWaalsContact O-CZ 3.26Å; T27-R32 PolarHBondContact O-NE 2.94Å; T27-R32 VanDerWaalsContact O-NE 3.15Å; S28-R32 WeakPolarHBondContact O-CG 3.17Å; S28-R32 PolarHBondContact O-N 2.98Å; D29-R32 IonicContact OD1-CZ 3.96Å; D29-R32 IonicContact OD1-NH1 2.82Å; D29-R32 PolarHBondContact OD1-NH1 3.37Å; R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 3.1Å; R32-V35 PolarHBondContact O-N 3.31Å; R32-I36 WeakPolarHBondContact O-CD1 3.26Å; R32-I36 VanDerWaalsContact O-CG1 3.31Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.03Å
33	K	98.3	Very high	97.3	Very high	149 Å²	149	72.2 Å²	72.2	65%	0.648	35%	0.345	S	S	*	.	H	α-helix	trans	-59.2	-38.3	177	-74.2	175.6	-177.8	178.1	0	112.5	D29 E31 R37	D29-K33 WeakPolarHBondContact O-CB 3.4Å; D29-K33 VanDerWaalsContact O-CG 3.3Å; D29-K33 WeakPolarHBondContact O-CG 3.48Å; D29-K33 PolarHBondContact O-N 2.84Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 PolarHBondContact O-N 3.36Å; K33-R37 WeakPolarHBondContact O-CB 3.45Å; K33-R37 PolarHBondContact O-N 3.2Å
34	K	98.2	Very high	97.3	Very high	102 Å²	102	72.6 Å²	72.6	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-50.4	176.6	-177.4	177.3	-180	175.4	0	111.3	R30 E31 R32 I36 R37 D38	R30-K34 PolarHBondContact O-N 3.28Å; E31-K34 WeakPolarHBondContact O-CA 3.2Å; E31-K34 WeakPolarHBondContact O-CB 3.45Å; E31-K34 PolarHBondContact O-N 3.11Å; R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 3.1Å; K34-I36 PolarHBondContact O-N 2.97Å; K34-R37 PolarHBondContact O-N 3.37Å; K34-D38 WeakPolarHBondContact O-CB 3.48Å; K34-D38 VanDerWaalsContact O-CG 3.27Å; K34-D38 PolarHBondContact O-N 2.8Å
35	V	98.4	Very high	97.3	Very high	5 Å²	5	76 Å²	76	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-56.6	-50	178.2	172.4	0	0	0	0	110.3	F8 W23 E31 R32 R37 D38 M39 W56	F8-V35 HydrophobicContact CD1-CG1 4.06Å; F8-V35 HydrophobicContact CE1-CG1 3.57Å; F8-V35 HydrophobicContact CE2-CG1 4.19Å; F8-V35 HydrophobicContact CZ-CG1 3.63Å; W23-V35 HydrophobicContact CH2-CB 3.72Å; W23-V35 HydrophobicContact CH2-CG1 3.64Å; W23-V35 HydrophobicContact CH2-CG2 4.22Å; W23-V35 HydrophobicContact CZ3-CB 4.25Å; W23-V35 HydrophobicContact CZ3-CG1 4.05Å; W23-V35 HydrophobicContact CZ3-CG2 4.3Å; E31-V35 HydrophobicContact CG-CG2 4.27Å; E31-V35 VanDerWaalsContact O-CG2 3.32Å; E31-V35 WeakPolarHBondContact O-CG2 3.1Å; E31-V35 PolarHBondContact O-N 3.22Å; R32-V35 PolarHBondContact O-N 3.31Å; V35-R37 VanDerWaalsContact C-N 3.33Å; V35-R37 PolarHBondContact O-N 3.09Å; V35-D38 PolarHBondContact O-N 3.15Å; V35-M39 HydrophobicContact CG1-CG 4.11Å; V35-M39 WeakPolarHBondContact O-CB 3.49Å; V35-M39 VanDerWaalsContact O-CG 3.26Å; V35-M39 WeakPolarHBondContact O-CG 3.38Å; V35-M39 PolarHBondContact O-N 3.42Å; V35-W56 HydrophobicContact CB-CH2 4.31Å; V35-W56 HydrophobicContact CG2-CH2 3.62Å; V35-W56 HydrophobicContact CG2-CZ3 4.16Å
36	I	98.6	Very high	97.5	Very high	24 Å²	24	78 Å²	78	12%	0.123	38%	0.379	C	S	.	.	H	α-helix	trans	-57.1	-47.3	-179.9	-70.1	159.8	0	0	0	111.1	L10 L18 W23 R32 K34 M39 I40	L10-I36 HydrophobicContact CD1-CG1 4.02Å; L10-I36 HydrophobicContact CD2-CG1 4.06Å; L18-I36 HydrophobicContact CD1-CG1 4.49Å; L18-I36 HydrophobicContact CD1-CG2 4.21Å; L18-I36 HydrophobicContact CD2-CD1 3.82Å; W23-I36 HydrophobicContact CZ2-CD1 4.05Å; W23-I36 HydrophobicContact CZ2-CG1 4.08Å; R32-I36 WeakPolarHBondContact O-CD1 3.26Å; R32-I36 VanDerWaalsContact O-CG1 3.31Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.03Å; K34-I36 PolarHBondContact O-N 2.97Å; I36-M39 PolarHBondContact O-N 3.39Å; I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 WeakPolarHBondContact O-CD1 3.27Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.43Å; I36-I40 PolarHBondContact O-N 3.42Å
37	R	98.5	Very high	97.4	Very high	150 Å²	150	78.4 Å²	78.4	57%	0.566	37%	0.369	S	S	*	.	H	α-helix	trans	-59.9	-48.8	178.1	-172.8	-169.5	-58.4	137.9	-0	111.4	K33 K34 V35 M39 I40 M41	K33-R37 WeakPolarHBondContact O-CB 3.45Å; K33-R37 PolarHBondContact O-N 3.2Å; K34-R37 PolarHBondContact O-N 3.37Å; V35-R37 VanDerWaalsContact C-N 3.33Å; V35-R37 PolarHBondContact O-N 3.09Å; R37-M39 VanDerWaalsContact C-N 3.35Å; R37-M39 PolarHBondContact O-N 3.28Å; R37-I40 PolarHBondContact O-N 3Å; R37-M41 HydrophobicContact CG-SD 4.11Å; R37-M41 WeakPolarHBondContact O-CG 3.39Å; R37-M41 PolarHBondContact O-N 2.84Å
38	D	98.4	Very high	97	Very high	36 Å²	36	83.2 Å²	83.2	19%	0.193	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-178.3	-67.6	-0.2	0	0	0	110.6	K34 V35 M41 L42 W56	K34-D38 WeakPolarHBondContact O-CB 3.48Å; K34-D38 VanDerWaalsContact O-CG 3.27Å; K34-D38 PolarHBondContact O-N 2.8Å; V35-D38 PolarHBondContact O-N 3.15Å; D38-M41 PolarHBondContact O-N 2.73Å; D38-L42 WeakPolarHBondContact O-CB 3.04Å; D38-L42 WeakPolarHBondContact O-CD1 3.37Å; D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 2.78Å; D38-W56 HydrophobicContact CB-CZ2 3.97Å; D38-W56 VanDerWaalsContact OD2-CZ2 3.23Å; D38-W56 WeakPolarHBondContact OD2-CZ2 3.49Å; D38-W56 PolarHBondContact OD2-NE1 3.01Å
39	M	98.5	Very high	96.6	Very high	1 Å²	1	92 Å²	92	1%	0.005	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-45.3	176.8	-68.3	-53	96.9	0	0	111.9	F8 L10 F12 V35 I36 R37 M41 L42 V43 W56 I61	F8-M39 HydrophobicContact CE2-CG 4.13Å; F8-M39 HydrophobicContact CE2-SD 4.28Å; F8-M39 HydrophobicContact CZ-CG 4.14Å; F8-M39 HydrophobicContact CZ-SD 3.99Å; L10-M39 HydrophobicContact CD1-CB 4.14Å; L10-M39 HydrophobicContact CD1-CG 3.92Å; F12-M39 HydrophobicContact CE1-CB 4.46Å; V35-M39 HydrophobicContact CG1-CG 4.11Å; V35-M39 WeakPolarHBondContact O-CB 3.49Å; V35-M39 VanDerWaalsContact O-CG 3.26Å; V35-M39 WeakPolarHBondContact O-CG 3.38Å; V35-M39 PolarHBondContact O-N 3.42Å; I36-M39 PolarHBondContact O-N 3.39Å; R37-M39 VanDerWaalsContact C-N 3.35Å; R37-M39 PolarHBondContact O-N 3.28Å; M39-M41 PolarHBondContact O-N 2.61Å; M39-L42 HydrophobicContact CE-CD1 4.09Å; M39-L42 PolarHBondContact O-N 3.4Å; M39-V43 VanDerWaalsContact O-CB 3.23Å; M39-V43 WeakPolarHBondContact O-CB 3.3Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.14Å; M39-V43 PolarHBondContact O-N 2.9Å; M39-W56 HydrophobicContact CE-CB 4.13Å; M39-W56 HydrophobicContact CE-CD2 3.55Å; M39-W56 HydrophobicContact CE-CE3 3.94Å; M39-W56 HydrophobicContact CE-CG 3.65Å; M39-I61 HydrophobicContact CE-CD1 4.03Å; M39-I61 HydrophobicContact CE-CG1 4.09Å; M39-I61 HydrophobicContact SD-CB 4.42Å; M39-I61 HydrophobicContact SD-CD1 3.71Å; M39-I61 HydrophobicContact SD-CG1 3.86Å; M39-I61 HydrophobicContact SD-CG2 3.68Å
40	I	98.3	Very high	96.3	Very high	29 Å²	29	89.2 Å²	89.2	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.1	-71.2	164.8	0	0	0	110.5	F12 G16 I36 R37 L42 L44	F12-I40 HydrophobicContact CB-CG1 4.42Å; F12-I40 HydrophobicContact CD1-CG1 4.16Å; F12-I40 HydrophobicContact CD2-CG1 3.93Å; F12-I40 HydrophobicContact CE1-CG1 4.42Å; F12-I40 HydrophobicContact CE2-CG1 4.2Å; F12-I40 HydrophobicContact CG-CG1 3.91Å; F12-I40 HydrophobicContact CZ-CG1 4.44Å; G16-I40 VanDerWaalsContact O-CD1 3.23Å; G16-I40 WeakPolarHBondContact O-CD1 3.49Å; I36-I40 HydrophobicContact CG2-CD1 3.69Å; I36-I40 WeakPolarHBondContact O-CD1 3.27Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.43Å; I36-I40 PolarHBondContact O-N 3.42Å; R37-I40 PolarHBondContact O-N 3Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.1Å; I40-L44 HydrophobicContact CG2-CD1 3.52Å; I40-L44 HydrophobicContact CG2-CG 4.04Å; I40-L44 VanDerWaalsContact O-CB 3.3Å; I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.3Å
41	M	97.9	Very high	96.2	Very high	126 Å²	126	82.1 Å²	82.1	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-66.1	-33.6	179.9	-73.8	-178.2	62	0	0	113.2	R37 D38 M39 P45	R37-M41 HydrophobicContact CG-SD 4.11Å; R37-M41 WeakPolarHBondContact O-CG 3.39Å; R37-M41 PolarHBondContact O-N 2.84Å; D38-M41 PolarHBondContact O-N 2.73Å; M39-M41 PolarHBondContact O-N 2.61Å; M41-P45 WeakPolarHBondContact O-CD 3.3Å; M41-P45 VanDerWaalsContact O-CG 3.27Å; M41-P45 WeakPolarHBondContact O-CG 3.22Å
42	L	97.6	Very high	96.2	Very high	75 Å²	75	79.3 Å²	79.3	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-81.7	-36	-180	-72.1	168.2	0	0	0	113	D38 M39 I40 R46 L54 W56	D38-L42 WeakPolarHBondContact O-CB 3.04Å; D38-L42 WeakPolarHBondContact O-CD1 3.37Å; D38-L42 WeakPolarHBondContact O-CG 3.49Å; D38-L42 PolarHBondContact O-N 2.78Å; M39-L42 HydrophobicContact CE-CD1 4.09Å; M39-L42 PolarHBondContact O-N 3.4Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.1Å; L42-R46 VanDerWaalsContact O-CD 3.28Å; L42-R46 WeakPolarHBondContact O-CD 3.48Å; L42-R46 VanDerWaalsContact O-CG 3.26Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; L42-L54 HydrophobicContact CB-CD1 4.4Å; L42-W56 HydrophobicContact CD1-CB 4.33Å; L42-W56 HydrophobicContact CD1-CG 4.05Å
43	V	97.8	Very high	96.2	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-89	-45.2	-172.5	172.3	0	0	0	0	112.2	F12 M39 R46 L54 Y63 Y70	F12-V43 HydrophobicContact CE2-CB 4.26Å; F12-V43 HydrophobicContact CE2-CG1 4.13Å; F12-V43 HydrophobicContact CZ-CB 3.89Å; F12-V43 HydrophobicContact CZ-CG1 3.93Å; F12-V43 HydrophobicContact CZ-CG2 4.32Å; M39-V43 VanDerWaalsContact O-CB 3.23Å; M39-V43 WeakPolarHBondContact O-CB 3.3Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.14Å; M39-V43 PolarHBondContact O-N 2.9Å; V43-R46 WeakPolarHBondContact O-CB 3.39Å; V43-R46 PolarHBondContact O-N 3.44Å; V43-L54 HydrophobicContact CG2-CD1 4.11Å; V43-Y63 HydrophobicContact CG1-CD2 3.41Å; V43-Y63 VanDerWaalsContact CG1-CD2 3.41Å; V43-Y63 HydrophobicContact CG1-CE2 3.82Å; V43-Y63 HydrophobicContact CG1-CG 3.81Å; V43-Y63 HydrophobicContact CG2-CD1 4.1Å; V43-Y63 HydrophobicContact CG2-CD2 4.39Å; V43-Y63 HydrophobicContact CG2-CG 3.94Å; V43-Y70 HydrophobicContact CG1-CD1 3.43Å; V43-Y70 VanDerWaalsContact CG1-CD1 3.43Å; V43-Y70 HydrophobicContact CG1-CE1 3.9Å; V43-Y70 HydrophobicContact CG1-CG 4.12Å
44	L	96.9	Very high	96.1	Very high	44 Å²	44	73 Å²	73	23%	0.23	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-40.1	-172.5	-72.2	-172.8	0	0	0	115.1	F12 I40 R46 Y70	F12-L44 HydrophobicContact CD2-CD2 4.11Å; F12-L44 HydrophobicContact CE2-CD2 3.93Å; F12-L44 HydrophobicContact CE2-CG 4.19Å; I40-L44 HydrophobicContact CG2-CD1 3.52Å; I40-L44 HydrophobicContact CG2-CG 4.04Å; I40-L44 VanDerWaalsContact O-CB 3.3Å; I40-L44 WeakPolarHBondContact O-CB 3.39Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.3Å; L44-R46 PolarHBondContact O-N 2.86Å; L44-Y70 HydrophobicContact CD2-CD2 3.69Å; L44-Y70 HydrophobicContact CD2-CE2 3.39Å; L44-Y70 HydrophobicContact CD2-CG 4.42Å
45	P	96.6	Very high	96	Very high	103 Å²	103	76.9 Å²	76.9	67%	0.669	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.7	-178.3	-19.2	34.1	0	0	0	114	M41	M41-P45 WeakPolarHBondContact O-CD 3.3Å; M41-P45 VanDerWaalsContact O-CG 3.27Å; M41-P45 WeakPolarHBondContact O-CG 3.22Å
46	R	96	Very high	95.9	Very high	76 Å²	76	78 Å²	78	29%	0.287	37%	0.373	S	S	.	.	S	Bend	trans	-75.2	141.2	-172	-65.3	-176.4	60	86.7	-10.6	112.2	L42 V43 L44 T50 C51 Y63	L42-R46 VanDerWaalsContact O-CD 3.28Å; L42-R46 WeakPolarHBondContact O-CD 3.48Å; L42-R46 VanDerWaalsContact O-CG 3.26Å; L42-R46 WeakPolarHBondContact O-CG 3.49Å; V43-R46 WeakPolarHBondContact O-CB 3.39Å; V43-R46 PolarHBondContact O-N 3.44Å; L44-R46 PolarHBondContact O-N 2.86Å; R46-T50 PolarHBondContact NE-OG1 3.49Å; R46-T50 PolarHBondContact NH2-OG1 2.91Å; R46-C51 PolarHBondContact NH2-O 3.29Å; R46-Y63 WeakPolarHBondContact CD-OH 3.41Å; R46-Y63 PolarHBondContact NE-OH 3.27Å
47	Q	93	Very high	95.7	Very high	147 Å²	147	82.5 Å²	82.5	69%	0.687	39%	0.391	S	S	*	.			trans	-74.9	148.6	178.7	-62.5	-179.3	-0.7	0	0	111.7	R49 T50	Q47-R49 VanDerWaalsContact C-N 3.25Å; Q47-R49 PolarHBondContact O-N 3.23Å; Q47-R49 VanDerWaalsContact O-N 3.07Å; Q47-T50 HydrophobicContact CB-CG2 4.03Å; Q47-T50 WeakPolarHBondContact O-CB 3.21Å; Q47-T50 WeakPolarHBondContact O-CG2 3.47Å; Q47-T50 PolarHBondContact O-N 3.01Å; Q47-T50 VanDerWaalsContact O-N 3.09Å; Q47-T50 PolarHBondContact O-OG1 2.6Å
48	P	86.1	Confident	95.4	Very high	122 Å²	122	82.3 Å²	82.3	79%	0.792	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.9	-172.9	-28.2	35.6	0	0	0	117.1
49	R	87.4	Confident	95.3	Very high	250 Å²	250	81.7 Å²	81.7	94%	0.943	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	10.6	-178.9	-64.6	-177	-175.4	-113.9	2.1	113.5	Q47	Q47-R49 VanDerWaalsContact C-N 3.25Å; Q47-R49 PolarHBondContact O-N 3.23Å; Q47-R49 VanDerWaalsContact O-N 3.07Å
50	T	92.8	Very high	95.3	Very high	46 Å²	46	82.8 Å²	82.8	28%	0.282	40%	0.403	S	S	.	.	S	Bend	trans	-81.2	161	176.5	60	0	0	0	0	111.2	R46 Q47 Y63	R46-T50 PolarHBondContact NE-OG1 3.49Å; R46-T50 PolarHBondContact NH2-OG1 2.91Å; Q47-T50 HydrophobicContact CB-CG2 4.03Å; Q47-T50 WeakPolarHBondContact O-CB 3.21Å; Q47-T50 WeakPolarHBondContact O-CG2 3.47Å; Q47-T50 PolarHBondContact O-N 3.01Å; Q47-T50 VanDerWaalsContact O-N 3.09Å; Q47-T50 PolarHBondContact O-OG1 2.6Å; T50-Y63 PolarHBondContact OG1-OH 2.95Å
51	C	95.2	Very high	95.3	Very high	71 Å²	71	81.5 Å²	81.5	48%	0.48	40%	0.396	S	S	.	.			trans	-57.8	142	176.4	-174.6	0	0	0	0	111.3	R46 F53 Y63	R46-C51 PolarHBondContact NH2-O 3.29Å; C51-F53 PolarHBondContact O-N 3.07Å; C51-F53 WeakPolarHBondContact SG-CD2 3.44Å; C51-F53 PolarHBondContact SG-N 3.49Å; C51-F53 VanDerWaalsContact SG-N 3.4Å; C51-Y63 PolarHBondContact O-OH 3.34Å
52	N	97.4	Very high	95.3	Very high	36 Å²	36	75.5 Å²	75.5	19%	0.193	37%	0.367	C	S	.	.	S	Bend	trans	-74.9	-1.4	176.3	-64.9	-39	0	0	0	113.2	V62 Y63 L85	N52-V62 WeakPolarHBondContact O-CA 3.32Å; N52-Y63 VanDerWaalsContact CB-O 3.23Å; N52-Y63 WeakPolarHBondContact CB-O 3.42Å; N52-Y63 WeakPolarHBondContact O-CD1 3.33Å; N52-Y63 PolarHBondContact O-N 3.03Å; N52-Y63 PolarHBondContact OD1-O 3.05Å; N52-L85 HydrophobicContact CB-CD1 4.23Å; N52-L85 HydrophobicContact CB-CD2 4.47Å
53	F	97.7	Very high	95.3	Very high	61 Å²	61	72.5 Å²	72.5	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.8	-173.3	-44.8	-43.1	0	0	0	110.8	C51 I61 V62 E81 L82 L85	C51-F53 PolarHBondContact O-N 3.07Å; C51-F53 WeakPolarHBondContact SG-CD2 3.44Å; C51-F53 PolarHBondContact SG-N 3.49Å; C51-F53 VanDerWaalsContact SG-N 3.4Å; F53-I61 CarbonylContact C-O 3.53Å; F53-I61 VanDerWaalsContact CA-O 3.31Å; F53-I61 WeakPolarHBondContact CA-O 3.4Å; F53-V62 HydrophobicContact CD1-CB 4.32Å; F53-V62 HydrophobicContact CD1-CG1 4.07Å; F53-V62 HydrophobicContact CD1-CG2 3.76Å; F53-V62 HydrophobicContact CE1-CG1 3.94Å; F53-V62 HydrophobicContact CE1-CG2 4.11Å; F53-E81 HydrophobicContact CD1-CB 3.68Å; F53-E81 HydrophobicContact CD1-CG 4.33Å; F53-E81 HydrophobicContact CD2-CB 4.24Å; F53-E81 HydrophobicContact CE1-CB 3.64Å; F53-E81 HydrophobicContact CE2-CB 4.22Å; F53-E81 HydrophobicContact CG-CB 3.98Å; F53-E81 HydrophobicContact CG-CG 4.33Å; F53-E81 HydrophobicContact CZ-CB 3.93Å; F53-L82 HydrophobicContact CE2-CD2 4.17Å; F53-L82 HydrophobicContact CZ-CD2 3.74Å; F53-L82 HydrophobicContact CZ-CG 4.27Å; F53-L85 HydrophobicContact CE1-CB 4.37Å; F53-L85 HydrophobicContact CE1-CD2 4.29Å; F53-L85 HydrophobicContact CZ-CD2 4.29Å
54	L	96.4	Very high	95.3	Very high	29 Å²	29	76 Å²	76	15%	0.152	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.1	177.1	-48.1	168	0	0	0	109.5	L42 V43 I61 Y63	L42-L54 HydrophobicContact CB-CD1 4.4Å; V43-L54 HydrophobicContact CG2-CD1 4.11Å; L54-I61 HydrophobicContact CB-CB 4.14Å; L54-I61 PolarHBondContact N-O 2.87Å; L54-I61 PolarHBondContact O-N 3.16Å; L54-Y63 HydrophobicContact CD1-CD1 4Å; L54-Y63 HydrophobicContact CD1-CE1 3.96Å; L54-Y63 HydrophobicContact CD2-CE1 4.39Å; L54-Y63 HydrophobicContact CG-CD1 4.26Å; L54-Y63 HydrophobicContact CG-CE1 4.07Å
55	R	96.3	Very high	95.4	Very high	183 Å²	183	78.6 Å²	78.6	69%	0.691	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.1	163.9	-70.6	-175.5	174.6	-120	-10.6	109	E77	R55-E77 IonicContact CZ-OE1 2.79Å; R55-E77 IonicContact NH1-OE1 2.84Å; R55-E77 PolarHBondContact NH1-OE1 2.97Å; R55-E77 VanDerWaalsContact NH1-OE1 3.14Å; R55-E77 IonicContact NH1-OE2 3.33Å; R55-E77 IonicContact NH2-OE1 3.14Å; R55-E77 PolarHBondContact NH2-OE1 3.19Å
56	W	96.9	Very high	95.4	Very high	29 Å²	29	76.1 Å²	76.1	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	108.1	172.9	177.4	76.7	0	0	0	109.1	V35 D38 M39 L42 D58 L59 I61	V35-W56 HydrophobicContact CB-CH2 4.31Å; V35-W56 HydrophobicContact CG2-CH2 3.62Å; V35-W56 HydrophobicContact CG2-CZ3 4.16Å; D38-W56 HydrophobicContact CB-CZ2 3.97Å; D38-W56 VanDerWaalsContact OD2-CZ2 3.23Å; D38-W56 WeakPolarHBondContact OD2-CZ2 3.49Å; D38-W56 PolarHBondContact OD2-NE1 3.01Å; M39-W56 HydrophobicContact CE-CB 4.13Å; M39-W56 HydrophobicContact CE-CD2 3.55Å; M39-W56 HydrophobicContact CE-CE3 3.94Å; M39-W56 HydrophobicContact CE-CG 3.65Å; L42-W56 HydrophobicContact CD1-CB 4.33Å; L42-W56 HydrophobicContact CD1-CG 4.05Å; W56-D58 PolarHBondContact O-N 2.82Å; W56-L59 HydrophobicContact CE3-CD1 4.24Å; W56-L59 HydrophobicContact CZ3-CD1 4.09Å; W56-L59 PolarHBondContact N-O 2.74Å; W56-L59 PolarHBondContact O-N 3.48Å; W56-L59 VanDerWaalsContact O-N 3.07Å; W56-I61 HydrophobicContact CB-CD1 4.21Å; W56-I61 HydrophobicContact CB-CG1 3.68Å; W56-I61 HydrophobicContact CE3-CD1 4.4Å
57	K	94.4	Very high	95.3	Very high	118 Å²	118	76.7 Å²	76.7	51%	0.513	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-131.7	-168.9	-51.6	174.9	-175.9	163.1	0	109.9	L59	K57-L59 PolarHBondContact O-N 3.07Å
58	D	93.1	Very high	95.3	Very high	146 Å²	146	71.5 Å²	71.5	78%	0.781	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	11.1	179.4	-46.3	-49.5	0	0	0	113.1	W56	W56-D58 PolarHBondContact O-N 2.82Å
59	L	96.1	Very high	95.9	Very high	24 Å²	24	66.1 Å²	66.1	13%	0.126	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.1	178.2	-59.2	-177.8	0	0	0	111.6	R7 F8 W56 K57 I61 L75	R7-L59 HydrophobicContact CG-CD2 4.08Å; F8-L59 HydrophobicContact CE1-CD1 4.06Å; W56-L59 HydrophobicContact CE3-CD1 4.24Å; W56-L59 HydrophobicContact CZ3-CD1 4.09Å; W56-L59 PolarHBondContact N-O 2.74Å; W56-L59 PolarHBondContact O-N 3.48Å; W56-L59 VanDerWaalsContact O-N 3.07Å; K57-L59 PolarHBondContact O-N 3.07Å; L59-I61 HydrophobicContact CB-CD1 4.19Å; L59-L75 VanDerWaalsContact CA-O 3.31Å; L59-L75 WeakPolarHBondContact CA-O 3.44Å; L59-L75 WeakPolarHBondContact CB-O 3.46Å; L59-L75 WeakPolarHBondContact CD2-O 3.49Å
60	K	97.3	Very high	96.4	Very high	24 Å²	24	55.1 Å²	55.1	10%	0.104	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.7	162	-66.8	168.7	168	-165.2	0	108.5	L75 E77 D79 E81	K60-L75 HydrophobicContact CB-CB 4.25Å; K60-L75 PolarHBondContact N-O 3.23Å; K60-L75 PolarHBondContact O-N 2.88Å; K60-E77 WeakPolarHBondContact CE-O 3.49Å; K60-E77 WeakPolarHBondContact CE-OE2 3.37Å; K60-E77 PolarHBondContact NZ-O 3.5Å; K60-D79 PolarHBondContact NZ-O 3.45Å; K60-D79 VanDerWaalsContact NZ-O 3.15Å; K60-E81 HydrophobicContact CB-CG 4.41Å; K60-E81 HydrophobicContact CD-CG 4.02Å; K60-E81 WeakPolarHBondContact CD-OE1 3.25Å; K60-E81 WeakPolarHBondContact CE-OE1 3.49Å; K60-E81 VanDerWaalsContact NZ-CD 3.26Å; K60-E81 IonicContact NZ-OE1 3.01Å; K60-E81 PolarHBondContact NZ-OE1 2.97Å; K60-E81 IonicContact NZ-OE2 3.85Å; K60-E81 PolarHBondContact NZ-OE2 3.42Å
61	I	98.3	Very high	96.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	177.1	-52.1	-55.8	0	0	0	108.4	F8 M39 F53 L54 W56 L59 C72 A73	F8-I61 HydrophobicContact CZ-CD1 3.95Å; M39-I61 HydrophobicContact CE-CD1 4.03Å; M39-I61 HydrophobicContact CE-CG1 4.09Å; M39-I61 HydrophobicContact SD-CB 4.42Å; M39-I61 HydrophobicContact SD-CD1 3.71Å; M39-I61 HydrophobicContact SD-CG1 3.86Å; M39-I61 HydrophobicContact SD-CG2 3.68Å; F53-I61 CarbonylContact C-O 3.53Å; F53-I61 VanDerWaalsContact CA-O 3.31Å; F53-I61 WeakPolarHBondContact CA-O 3.4Å; L54-I61 HydrophobicContact CB-CB 4.14Å; L54-I61 PolarHBondContact N-O 2.87Å; L54-I61 PolarHBondContact O-N 3.16Å; W56-I61 HydrophobicContact CB-CD1 4.21Å; W56-I61 HydrophobicContact CB-CG1 3.68Å; W56-I61 HydrophobicContact CE3-CD1 4.4Å; L59-I61 HydrophobicContact CB-CD1 4.19Å; I61-C72 VanDerWaalsContact CG2-SG 3.5Å; I61-A73 WeakPolarHBondContact CA-O 3.36Å
62	V	98.4	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.1	175.8	177	0	0	0	0	107.6	N52 F53 C72 A73 L75 E81 A84 L85 L88	N52-V62 WeakPolarHBondContact O-CA 3.32Å; F53-V62 HydrophobicContact CD1-CB 4.32Å; F53-V62 HydrophobicContact CD1-CG1 4.07Å; F53-V62 HydrophobicContact CD1-CG2 3.76Å; F53-V62 HydrophobicContact CE1-CG1 3.94Å; F53-V62 HydrophobicContact CE1-CG2 4.11Å; V62-C72 CarbonylContact O-C 3.5Å; V62-C72 WeakPolarHBondContact O-CA 3.35Å; V62-A73 PolarHBondContact N-O 2.92Å; V62-A73 PolarHBondContact O-N 3.45Å; V62-L75 HydrophobicContact CB-CD1 3.88Å; V62-L75 HydrophobicContact CG2-CD1 3.38Å; V62-E81 HydrophobicContact CG2-CB 3.8Å; V62-E81 HydrophobicContact CG2-CG 4.09Å; V62-A84 HydrophobicContact CB-CB 4.22Å; V62-A84 HydrophobicContact CG1-CB 4.27Å; V62-A84 HydrophobicContact CG2-CB 3.98Å; V62-L85 HydrophobicContact CG1-CB 3.92Å; V62-L85 HydrophobicContact CG1-CD1 3.98Å; V62-L88 HydrophobicContact CG1-CD1 4.21Å
63	Y	98.4	Very high	96.9	Very high	12 Å²	12	48.1 Å²	48.1	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.8	178.3	80.4	-83.2	0	0	0	112.1	V43 R46 T50 C51 N52 L54 Y70 F71	V43-Y63 HydrophobicContact CG1-CD2 3.41Å; V43-Y63 VanDerWaalsContact CG1-CD2 3.41Å; V43-Y63 HydrophobicContact CG1-CE2 3.82Å; V43-Y63 HydrophobicContact CG1-CG 3.81Å; V43-Y63 HydrophobicContact CG2-CD1 4.1Å; V43-Y63 HydrophobicContact CG2-CD2 4.39Å; V43-Y63 HydrophobicContact CG2-CG 3.94Å; R46-Y63 WeakPolarHBondContact CD-OH 3.41Å; R46-Y63 PolarHBondContact NE-OH 3.27Å; T50-Y63 PolarHBondContact OG1-OH 2.95Å; C51-Y63 PolarHBondContact O-OH 3.34Å; N52-Y63 VanDerWaalsContact CB-O 3.23Å; N52-Y63 WeakPolarHBondContact CB-O 3.42Å; N52-Y63 WeakPolarHBondContact O-CD1 3.33Å; N52-Y63 PolarHBondContact O-N 3.03Å; N52-Y63 PolarHBondContact OD1-O 3.05Å; L54-Y63 HydrophobicContact CD1-CD1 4Å; L54-Y63 HydrophobicContact CD1-CE1 3.96Å; L54-Y63 HydrophobicContact CD2-CE1 4.39Å; L54-Y63 HydrophobicContact CG-CD1 4.26Å; L54-Y63 HydrophobicContact CG-CE1 4.07Å; Y63-Y70 HydrophobicContact CD2-CD1 4.28Å; Y63-F71 CarbonylContact C-O 3.58Å; Y63-F71 WeakPolarHBondContact CA-O 3.47Å; Y63-F71 WeakPolarHBondContact CB-O 3.39Å
64	K	97.8	Very high	96.9	Very high	75 Å²	75	45.2 Å²	45.2	33%	0.326	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.7	173.6	-170.8	61.2	173.5	165.3	0	110.3	Y66 F71 L85	K64-Y66 HydrophobicContact CB-CD2 4.42Å; K64-Y66 HydrophobicContact CB-CE2 3.71Å; K64-Y66 HydrophobicContact CG-CD2 4.15Å; K64-Y66 HydrophobicContact CG-CE1 4.43Å; K64-Y66 HydrophobicContact CG-CE2 3.44Å; K64-Y66 VanDerWaalsContact CG-CE2 3.44Å; K64-F71 PolarHBondContact N-O 2.93Å; K64-F71 PolarHBondContact O-N 3.41Å; K64-L85 HydrophobicContact CB-CD1 3.83Å; K64-L85 HydrophobicContact CD-CD1 4.44Å; K64-L85 HydrophobicContact CG-CD1 4.29Å
65	R	97.4	Very high	96.9	Very high	97 Å²	97	44.1 Å²	44.1	37%	0.366	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128	175.7	-173.8	-174.1	167.1	-156.4	-12.6	110.2	A67 L69 Y70	R65-A67 VanDerWaalsContact CZ-O 3.29Å; R65-A67 PolarHBondContact NE-O 2.81Å; R65-A67 PolarHBondContact NH2-O 3.31Å; R65-L69 CarbonylContact C-O 3.6Å; R65-L69 WeakPolarHBondContact CA-O 3.35Å; R65-Y70 HydrophobicContact CB-CD1 3.91Å; R65-Y70 HydrophobicContact CB-CE1 3.81Å; R65-Y70 HydrophobicContact CG-CD1 4.21Å; R65-Y70 HydrophobicContact CG-CE1 3.95Å; R65-Y70 HydrophobicContact CG-CE2 4.3Å
66	Y	96.4	Very high	96.7	Very high	52 Å²	52	37 Å²	37	20%	0.204	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.1	170.8	-63	-90	0	0	0	108.1	K64 S68 L69 F71 H89 V92	K64-Y66 HydrophobicContact CB-CD2 4.42Å; K64-Y66 HydrophobicContact CB-CE2 3.71Å; K64-Y66 HydrophobicContact CG-CD2 4.15Å; K64-Y66 HydrophobicContact CG-CE1 4.43Å; K64-Y66 HydrophobicContact CG-CE2 3.44Å; K64-Y66 VanDerWaalsContact CG-CE2 3.44Å; Y66-S68 PolarHBondContact O-N 2.89Å; Y66-S68 VanDerWaalsContact O-N 3.11Å; Y66-L69 PolarHBondContact N-O 3.15Å; Y66-L69 PolarHBondContact O-N 2.82Å; Y66-L69 VanDerWaalsContact O-O 3.13Å; Y66-F71 AromaticContact CD2-CD2 3.67Å; Y66-F71 HydrophobicContact CD2-CD2 3.67Å; Y66-F71 HydrophobicContact CD2-CE2 4.09Å; Y66-F71 HydrophobicContact CD2-CG 4.29Å; Y66-F71 HydrophobicContact CE2-CD2 4.39Å; Y66-H89 AromaticContact CE1-ND1 3.58Å; Y66-H89 AromaticContact CZ-ND1 3.7Å; Y66-H89 WeakPolarHBondContact OH-CA 3.46Å; Y66-H89 WeakPolarHBondContact OH-CB 3.44Å; Y66-H89 PolarHBondContact OH-ND1 3.26Å; Y66-H89 VanDerWaalsContact OH-ND1 3.15Å; Y66-V92 HydrophobicContact CD1-CG1 4.08Å; Y66-V92 HydrophobicContact CD1-CG2 4.36Å; Y66-V92 HydrophobicContact CD2-CG2 3.74Å; Y66-V92 HydrophobicContact CE1-CG1 4.39Å; Y66-V92 HydrophobicContact CE1-CG2 4.42Å; Y66-V92 HydrophobicContact CE2-CG2 3.79Å; Y66-V92 HydrophobicContact CG-CG1 4.31Å; Y66-V92 HydrophobicContact CG-CG2 4.03Å
67	A	94.3	Very high	96.4	Very high	88 Å²	88	39.7 Å²	39.7	73%	0.727	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	-112.9	-173	0	0	0	0	0	113.6	R65	R65-A67 VanDerWaalsContact CZ-O 3.29Å; R65-A67 PolarHBondContact NE-O 2.81Å; R65-A67 PolarHBondContact NH2-O 3.31Å
68	S	94.6	Very high	96.2	Very high	37 Å²	37	38.6 Å²	38.6	26%	0.259	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.5	177.9	61.9	0	0	0	0	114.2	N13 R14 Y66 E104	N13-S68 CarbonylContact C-O 3.47Å; N13-S68 WeakPolarHBondContact CA-O 3.49Å; R14-S68 PolarHBondContact N-O 3.15Å; R14-S68 VanDerWaalsContact N-O 3.16Å; Y66-S68 PolarHBondContact O-N 2.89Å; Y66-S68 VanDerWaalsContact O-N 3.11Å; S68-E104 WeakPolarHBondContact CB-OE2 3.21Å; S68-E104 PolarHBondContact OG-OE2 3.17Å
69	L	97.6	Very high	96.1	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.052	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.5	-173.6	-70.7	174.5	0	0	0	112.5	N13 R19 R65 Y66 F71 E104 I107	N13-L69 HydrophobicContact CB-CD2 4.03Å; R19-L69 HydrophobicContact CG-CD2 3.83Å; R65-L69 CarbonylContact C-O 3.6Å; R65-L69 WeakPolarHBondContact CA-O 3.35Å; Y66-L69 PolarHBondContact N-O 3.15Å; Y66-L69 PolarHBondContact O-N 2.82Å; Y66-L69 VanDerWaalsContact O-O 3.13Å; L69-F71 HydrophobicContact CB-CD2 4.36Å; L69-F71 HydrophobicContact CB-CE2 3.87Å; L69-F71 HydrophobicContact CD1-CE2 4.39Å; L69-E104 HydrophobicContact CD1-CB 4.06Å; L69-E104 HydrophobicContact CD1-CG 4.43Å; L69-E104 HydrophobicContact CD2-CB 4.32Å; L69-E104 HydrophobicContact CD2-CG 3.93Å; L69-E104 HydrophobicContact CG-CB 4.09Å; L69-E104 HydrophobicContact CG-CG 4.27Å; L69-I107 HydrophobicContact CD1-CD1 3.68Å
70	Y	98.4	Very high	96	Very high	19 Å²	19	34.2 Å²	34.2	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.4	168.4	-68.3	-95.7	0	0	0	108.5	L11 F12 R14 V43 L44 Y63 R65	L11-Y70 VanDerWaalsContact CA-O 3.3Å; L11-Y70 WeakPolarHBondContact CA-O 3.49Å; F12-Y70 HydrophobicContact CD2-CD2 4.29Å; F12-Y70 HydrophobicContact CD2-CG 4.34Å; F12-Y70 HydrophobicContact CE2-CD2 4.17Å; F12-Y70 AromaticContact CE2-CG 3.89Å; F12-Y70 HydrophobicContact CE2-CG 3.89Å; F12-Y70 PolarHBondContact N-O 3.37Å; F12-Y70 WeakPolarHBondContact O-CB 3.32Å; F12-Y70 PolarHBondContact O-N 3.34Å; R14-Y70 HydrophobicContact CG-CE2 4.19Å; V43-Y70 HydrophobicContact CG1-CD1 3.43Å; V43-Y70 VanDerWaalsContact CG1-CD1 3.43Å; V43-Y70 HydrophobicContact CG1-CE1 3.9Å; V43-Y70 HydrophobicContact CG1-CG 4.12Å; L44-Y70 HydrophobicContact CD2-CD2 3.69Å; L44-Y70 HydrophobicContact CD2-CE2 3.39Å; L44-Y70 HydrophobicContact CD2-CG 4.42Å; Y63-Y70 HydrophobicContact CD2-CD1 4.28Å; R65-Y70 HydrophobicContact CB-CD1 3.91Å; R65-Y70 HydrophobicContact CB-CE1 3.81Å; R65-Y70 HydrophobicContact CG-CD1 4.21Å; R65-Y70 HydrophobicContact CG-CE1 3.95Å; R65-Y70 HydrophobicContact CG-CE2 4.3Å
71	F	98.6	Very high	95.9	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.2	170.5	-71.4	-111.9	0	0	0	106.8	L11 Y63 K64 Y66 L69 L88 Y91 V92 L95	L11-F71 HydrophobicContact CD1-CD1 3.55Å; L11-F71 HydrophobicContact CD1-CE1 3.71Å; L11-F71 HydrophobicContact CD1-CG 4.2Å; L11-F71 HydrophobicContact CD1-CZ 4.46Å; L11-F71 HydrophobicContact CD2-CD1 4.25Å; L11-F71 HydrophobicContact CD2-CE1 3.58Å; L11-F71 HydrophobicContact CD2-CE2 4.41Å; L11-F71 HydrophobicContact CD2-CZ 3.66Å; L11-F71 HydrophobicContact CG-CD1 3.78Å; L11-F71 HydrophobicContact CG-CD2 4.41Å; L11-F71 HydrophobicContact CG-CE1 3.63Å; L11-F71 HydrophobicContact CG-CE2 4.28Å; L11-F71 HydrophobicContact CG-CG 4.16Å; L11-F71 HydrophobicContact CG-CZ 3.89Å; Y63-F71 CarbonylContact C-O 3.58Å; Y63-F71 WeakPolarHBondContact CA-O 3.47Å; Y63-F71 WeakPolarHBondContact CB-O 3.39Å; K64-F71 PolarHBondContact N-O 2.93Å; K64-F71 PolarHBondContact O-N 3.41Å; Y66-F71 AromaticContact CD2-CD2 3.67Å; Y66-F71 HydrophobicContact CD2-CD2 3.67Å; Y66-F71 HydrophobicContact CD2-CE2 4.09Å; Y66-F71 HydrophobicContact CD2-CG 4.29Å; Y66-F71 HydrophobicContact CE2-CD2 4.39Å; L69-F71 HydrophobicContact CB-CD2 4.36Å; L69-F71 HydrophobicContact CB-CE2 3.87Å; L69-F71 HydrophobicContact CD1-CE2 4.39Å; F71-L88 HydrophobicContact CB-CB 4.44Å; F71-L88 HydrophobicContact CB-CD1 4.14Å; F71-L88 HydrophobicContact CB-CD2 4.2Å; F71-L88 HydrophobicContact CB-CG 4.5Å; F71-Y91 HydrophobicContact CD1-CD1 4.12Å; F71-Y91 AromaticContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD1 3.72Å; F71-Y91 AromaticContact CE1-CE1 3.96Å; F71-Y91 HydrophobicContact CE1-CE1 3.96Å; F71-V92 HydrophobicContact CD1-CG2 4.04Å; F71-V92 HydrophobicContact CD2-CG2 4.23Å; F71-V92 HydrophobicContact CE1-CG2 3.62Å; F71-V92 HydrophobicContact CE2-CG2 3.85Å; F71-V92 HydrophobicContact CG-CG2 4.33Å; F71-V92 HydrophobicContact CZ-CG2 3.54Å; F71-L95 HydrophobicContact CE1-CD1 4.24Å; F71-L95 HydrophobicContact CZ-CD1 4.28Å
72	C	98.6	Very high	95.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128.3	-172.3	-177.3	0	0	0	0	110.2	L9 L10 F12 I61 V62	L9-C72 CarbonylContact C-O 3.54Å; L9-C72 WeakPolarHBondContact CA-O 3.27Å; L10-C72 HydrophobicContact CB-CB 4.47Å; L10-C72 PolarHBondContact N-O 3.27Å; L10-C72 PolarHBondContact O-N 3.16Å; F12-C72 HydrophobicContact CE1-CB 3.78Å; F12-C72 HydrophobicContact CZ-CB 4.27Å; I61-C72 VanDerWaalsContact CG2-SG 3.5Å; V62-C72 CarbonylContact O-C 3.5Å; V62-C72 WeakPolarHBondContact O-CA 3.35Å
73	A	98.4	Very high	95.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144	179.4	0	0	0	0	0	111.3	L6 F8 I61 V62 L88	L6-A73 HydrophobicContact CD2-CB 4.12Å; F8-A73 VanDerWaalsContact O-CA 3.3Å; F8-A73 WeakPolarHBondContact O-CA 3.29Å; I61-A73 WeakPolarHBondContact CA-O 3.36Å; V62-A73 PolarHBondContact N-O 2.92Å; V62-A73 PolarHBondContact O-N 3.45Å; A73-L88 HydrophobicContact CB-CD2 4.1Å
74	G	98.1	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.5	173.2	0	0	0	0	0	111.3	R7 F8	R7-G74 PolarHBondContact N-O 3.48Å; F8-G74 PolarHBondContact O-N 3.3Å; F8-G74 VanDerWaalsContact O-N 3.15Å
75	L	95.8	Very high	95.5	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.7	-173.7	-60.6	105.2	0	0	0	111.9	L6 L59 K60 V62 D79 A84	L6-L75 HydrophobicContact CD2-CD1 4.41Å; L6-L75 HydrophobicContact CD2-CD2 3.62Å; L6-L75 HydrophobicContact CD2-CG 3.73Å; L59-L75 VanDerWaalsContact CA-O 3.31Å; L59-L75 WeakPolarHBondContact CA-O 3.44Å; L59-L75 WeakPolarHBondContact CB-O 3.46Å; L59-L75 WeakPolarHBondContact CD2-O 3.49Å; K60-L75 HydrophobicContact CB-CB 4.25Å; K60-L75 PolarHBondContact N-O 3.23Å; K60-L75 PolarHBondContact O-N 2.88Å; V62-L75 HydrophobicContact CB-CD1 3.88Å; V62-L75 HydrophobicContact CG2-CD1 3.38Å; L75-D79 HydrophobicContact CB-CB 4.11Å; L75-D79 HydrophobicContact CD2-CB 3.84Å; L75-A84 HydrophobicContact CD1-CB 3.83Å; L75-A84 HydrophobicContact CD2-CB 3.38Å; L75-A84 HydrophobicContact CG-CB 4.19Å
76	E	92.4	Very high	95.4	Very high	34 Å²	34	43.2 Å²	43.2	16%	0.159	23%	0.228	C	C	.	.			trans	-77.4	160.4	171.1	-56.9	-164.9	165.4	0	0	111.3	R7 Q78 D79	R7-E76 HydrophobicContact CG-CG 4.39Å; R7-E76 IonicContact CZ-OE1 2.82Å; R7-E76 IonicContact NH1-OE1 2.88Å; R7-E76 PolarHBondContact NH1-OE1 3.22Å; E76-Q78 PolarHBondContact O-N 3.44Å; E76-Q78 VanDerWaalsContact O-N 3.16Å; E76-Q78 PolarHBondContact OE2-NE2 2.88Å; E76-D79 PolarHBondContact N-OD2 2.93Å; E76-D79 WeakPolarHBondContact O-CB 3.49Å; E76-D79 PolarHBondContact O-N 2.99Å
77	E	90.3	Very high	95.4	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.5	-172.9	-172.2	69.4	179	0	0	113.2	R55 K60 D79	R55-E77 IonicContact CZ-OE1 2.79Å; R55-E77 IonicContact NH1-OE1 2.84Å; R55-E77 PolarHBondContact NH1-OE1 2.97Å; R55-E77 VanDerWaalsContact NH1-OE1 3.14Å; R55-E77 IonicContact NH1-OE2 3.33Å; R55-E77 IonicContact NH2-OE1 3.14Å; R55-E77 PolarHBondContact NH2-OE1 3.19Å; K60-E77 WeakPolarHBondContact CE-O 3.49Å; K60-E77 WeakPolarHBondContact CE-OE2 3.37Å; K60-E77 PolarHBondContact NZ-O 3.5Å; E77-D79 VanDerWaalsContact C-N 3.3Å; E77-D79 PolarHBondContact O-N 3.07Å
78	Q	90.3	Very high	95.5	Very high	95 Å²	95	37.1 Å²	37.1	44%	0.444	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.9	179.3	70.6	-84.7	8.7	0	0	114.7	E76	E76-Q78 PolarHBondContact O-N 3.44Å; E76-Q78 VanDerWaalsContact O-N 3.16Å; E76-Q78 PolarHBondContact OE2-NE2 2.88Å
79	D	91.4	Very high	95.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	19%	0.192	C	C	.	.	S	Bend	trans	-84.7	152.6	-175.2	-66.2	-35.6	0	0	0	111.7	R4 K5 K60 L75 E76 E77	R4-D79 WeakPolarHBondContact CA-OD1 3.48Å; R4-D79 WeakPolarHBondContact CB-OD1 3.31Å; R4-D79 WeakPolarHBondContact CG-OD1 3.37Å; K5-D79 PolarHBondContact N-OD2 3.23Å; K60-D79 PolarHBondContact NZ-O 3.45Å; K60-D79 VanDerWaalsContact NZ-O 3.15Å; L75-D79 HydrophobicContact CB-CB 4.11Å; L75-D79 HydrophobicContact CD2-CB 3.84Å; E76-D79 PolarHBondContact N-OD2 2.93Å; E76-D79 WeakPolarHBondContact O-CB 3.49Å; E76-D79 PolarHBondContact O-N 2.99Å; E77-D79 VanDerWaalsContact C-N 3.3Å; E77-D79 PolarHBondContact O-N 3.07Å
80	N	93.2	Very high	95.5	Very high	73 Å²	73	41.9 Å²	41.9	39%	0.39	20%	0.202	S	C	.	.			trans	-88.7	117.8	-176.7	-175.8	-49.2	0	0	0	110.7	L82 L83 A84	N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.29Å; N80-L82 WeakPolarHBondContact OD1-CA 3.01Å; N80-L82 WeakPolarHBondContact OD1-CB 3.18Å; N80-L82 PolarHBondContact OD1-N 3.43Å; N80-L83 HydrophobicContact CB-CB 4.1Å; N80-L83 PolarHBondContact O-N 3.48Å; N80-L83 PolarHBondContact OD1-N 2.81Å; N80-A84 PolarHBondContact O-N 2.99Å; N80-A84 VanDerWaalsContact O-N 3.16Å
81	E	95.8	Very high	95.4	Very high	53 Å²	53	41 Å²	41	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-32.9	-177.4	-61.4	93.7	148.2	0	0	113.4	F53 K60 V62 A84 L85	F53-E81 HydrophobicContact CD1-CB 3.68Å; F53-E81 HydrophobicContact CD1-CG 4.33Å; F53-E81 HydrophobicContact CD2-CB 4.24Å; F53-E81 HydrophobicContact CE1-CB 3.64Å; F53-E81 HydrophobicContact CE2-CB 4.22Å; F53-E81 HydrophobicContact CG-CB 3.98Å; F53-E81 HydrophobicContact CG-CG 4.33Å; F53-E81 HydrophobicContact CZ-CB 3.93Å; K60-E81 HydrophobicContact CB-CG 4.41Å; K60-E81 HydrophobicContact CD-CG 4.02Å; K60-E81 WeakPolarHBondContact CD-OE1 3.25Å; K60-E81 WeakPolarHBondContact CE-OE1 3.49Å; K60-E81 VanDerWaalsContact NZ-CD 3.26Å; K60-E81 IonicContact NZ-OE1 3.01Å; K60-E81 PolarHBondContact NZ-OE1 2.97Å; K60-E81 IonicContact NZ-OE2 3.85Å; K60-E81 PolarHBondContact NZ-OE2 3.42Å; V62-E81 HydrophobicContact CG2-CB 3.8Å; V62-E81 HydrophobicContact CG2-CG 4.09Å; E81-A84 WeakPolarHBondContact O-CB 3.42Å; E81-A84 PolarHBondContact O-N 3.33Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 PolarHBondContact O-N 3.07Å
82	L	96.3	Very high	95.3	Very high	108 Å²	108	41.8 Å²	41.8	57%	0.565	20%	0.204	S	C	*	.	H	α-helix	trans	-70.9	-40.6	178.1	-65.3	166.4	0	0	0	110.9	F53 N80 A84 L85 E86	F53-L82 HydrophobicContact CE2-CD2 4.17Å; F53-L82 HydrophobicContact CZ-CD2 3.74Å; F53-L82 HydrophobicContact CZ-CG 4.27Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.29Å; N80-L82 WeakPolarHBondContact OD1-CA 3.01Å; N80-L82 WeakPolarHBondContact OD1-CB 3.18Å; N80-L82 PolarHBondContact OD1-N 3.43Å; L82-A84 VanDerWaalsContact C-N 3.29Å; L82-A84 PolarHBondContact O-N 2.9Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.09Å; L82-E86 PolarHBondContact O-N 3.11Å
83	L	94.2	Very high	95.1	Very high	92 Å²	92	44.6 Å²	44.6	48%	0.482	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-40.7	174.6	-176.7	63.5	0	0	0	111	N80 L85 E86 V87	N80-L83 HydrophobicContact CB-CB 4.1Å; N80-L83 PolarHBondContact O-N 3.48Å; N80-L83 PolarHBondContact OD1-N 2.81Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.01Å; L83-E86 WeakPolarHBondContact O-CB 3.39Å; L83-E86 PolarHBondContact O-N 3.48Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.26Å
84	A	95.9	Very high	94.9	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-39	175.3	0	0	0	0	0	112.5	L6 V62 L75 N80 E81 L82 E86 V87 L88	L6-A84 HydrophobicContact CD2-CB 4.46Å; V62-A84 HydrophobicContact CB-CB 4.22Å; V62-A84 HydrophobicContact CG1-CB 4.27Å; V62-A84 HydrophobicContact CG2-CB 3.98Å; L75-A84 HydrophobicContact CD1-CB 3.83Å; L75-A84 HydrophobicContact CD2-CB 3.38Å; L75-A84 HydrophobicContact CG-CB 4.19Å; N80-A84 PolarHBondContact O-N 2.99Å; N80-A84 VanDerWaalsContact O-N 3.16Å; E81-A84 WeakPolarHBondContact O-CB 3.42Å; E81-A84 PolarHBondContact O-N 3.33Å; L82-A84 VanDerWaalsContact C-N 3.29Å; L82-A84 PolarHBondContact O-N 2.9Å; A84-E86 VanDerWaalsContact C-N 3.33Å; A84-V87 WeakPolarHBondContact O-CB 3.45Å; A84-V87 PolarHBondContact O-N 3.46Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å; A84-L88 PolarHBondContact O-N 3.22Å
85	L	97.1	Very high	94.7	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-41.1	175.9	-172.1	64.5	0	0	0	111.2	N52 F53 V62 K64 E81 L82 L83 L88 H89	N52-L85 HydrophobicContact CB-CD1 4.23Å; N52-L85 HydrophobicContact CB-CD2 4.47Å; F53-L85 HydrophobicContact CE1-CB 4.37Å; F53-L85 HydrophobicContact CE1-CD2 4.29Å; F53-L85 HydrophobicContact CZ-CD2 4.29Å; V62-L85 HydrophobicContact CG1-CB 3.92Å; V62-L85 HydrophobicContact CG1-CD1 3.98Å; K64-L85 HydrophobicContact CB-CD1 3.83Å; K64-L85 HydrophobicContact CD-CD1 4.44Å; K64-L85 HydrophobicContact CG-CD1 4.29Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 PolarHBondContact O-N 3.07Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.09Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.01Å; L85-L88 PolarHBondContact O-N 3.21Å; L85-H89 PolarHBondContact O-N 3.33Å
86	E	95.7	Very high	94.6	Very high	111 Å²	111	47.7 Å²	47.7	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-38.1	172.7	-73.9	-59.7	147.2	0	0	112.2	L82 L83 A84 H89 R90	L82-E86 PolarHBondContact O-N 3.11Å; L83-E86 WeakPolarHBondContact O-CB 3.39Å; L83-E86 PolarHBondContact O-N 3.48Å; A84-E86 VanDerWaalsContact C-N 3.33Å; E86-H89 PolarHBondContact O-N 3.01Å; E86-R90 WeakPolarHBondContact O-CB 3.49Å; E86-R90 PolarHBondContact O-N 3.06Å
87	V	95.4	Very high	94.5	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-45.1	173.5	167.7	0	0	0	0	111.3	L6 L83 A84 H89 R90 Y91 F121 L122 V127	L6-V87 HydrophobicContact CD1-CG1 4.09Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.26Å; A84-V87 WeakPolarHBondContact O-CB 3.45Å; A84-V87 PolarHBondContact O-N 3.46Å; V87-H89 VanDerWaalsContact C-N 3.3Å; V87-H89 PolarHBondContact O-N 3.27Å; V87-R90 PolarHBondContact O-N 2.99Å; V87-Y91 PolarHBondContact O-N 3.47Å; V87-F121 HydrophobicContact CB-CZ 4.45Å; V87-F121 HydrophobicContact CG1-CE1 3.75Å; V87-F121 HydrophobicContact CG1-CZ 3.93Å; V87-F121 WeakPolarHBondContact O-CE1 3.23Å; V87-L122 HydrophobicContact CG1-CD1 4.04Å; V87-L122 HydrophobicContact CG1-CD2 3.92Å; V87-V127 HydrophobicContact CG2-CG2 3.64Å
88	L	97.4	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-42.6	174.9	-65.3	-175	0	0	0	111.3	L9 V62 F71 A73 A84 L85 Y91 V92	L9-L88 HydrophobicContact CD1-CD2 3.68Å; L9-L88 HydrophobicContact CG-CD2 4.1Å; V62-L88 HydrophobicContact CG1-CD1 4.21Å; F71-L88 HydrophobicContact CB-CB 4.44Å; F71-L88 HydrophobicContact CB-CD1 4.14Å; F71-L88 HydrophobicContact CB-CD2 4.2Å; F71-L88 HydrophobicContact CB-CG 4.5Å; A73-L88 HydrophobicContact CB-CD2 4.1Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å; A84-L88 PolarHBondContact O-N 3.22Å; L85-L88 PolarHBondContact O-N 3.21Å; L88-Y91 PolarHBondContact O-N 3.48Å; L88-V92 WeakPolarHBondContact O-CG2 3.17Å; L88-V92 PolarHBondContact O-N 2.88Å
89	H	96.3	Very high	94.4	Very high	74 Å²	74	47.4 Å²	47.4	34%	0.343	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-46.1	179.5	-169.6	37.3	0	0	0	112.1	Y66 L85 E86 V87 Y91 V92 E93	Y66-H89 AromaticContact CE1-ND1 3.58Å; Y66-H89 AromaticContact CZ-ND1 3.7Å; Y66-H89 WeakPolarHBondContact OH-CA 3.46Å; Y66-H89 WeakPolarHBondContact OH-CB 3.44Å; Y66-H89 PolarHBondContact OH-ND1 3.26Å; Y66-H89 VanDerWaalsContact OH-ND1 3.15Å; L85-H89 PolarHBondContact O-N 3.33Å; E86-H89 PolarHBondContact O-N 3.01Å; V87-H89 VanDerWaalsContact C-N 3.3Å; V87-H89 PolarHBondContact O-N 3.27Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.27Å; H89-V92 WeakPolarHBondContact O-CB 3.13Å; H89-V92 PolarHBondContact O-N 3.38Å; H89-E93 WeakPolarHBondContact O-CG 3.41Å; H89-E93 PolarHBondContact O-N 3.47Å
90	R	95.3	Very high	94.4	Very high	73 Å²	73	49.4 Å²	49.4	28%	0.275	25%	0.25	S	C	.	.	H	α-helix	trans	-58.2	-40.4	177.6	179	54.8	57.1	74.8	14.2	111.8	E86 V87 V92 E93 L94 F121 T130	E86-R90 WeakPolarHBondContact O-CB 3.49Å; E86-R90 PolarHBondContact O-N 3.06Å; V87-R90 PolarHBondContact O-N 2.99Å; R90-V92 VanDerWaalsContact C-N 3.34Å; R90-V92 PolarHBondContact O-N 2.95Å; R90-E93 WeakPolarHBondContact CD-OE2 3.3Å; R90-E93 IonicContact CZ-OE2 2.61Å; R90-E93 IonicContact NE-OE2 2.6Å; R90-E93 PolarHBondContact NE-OE2 3Å; R90-E93 WeakPolarHBondContact O-CB 3.32Å; R90-E93 PolarHBondContact O-N 2.87Å; R90-L94 HydrophobicContact CG-CD1 4.41Å; R90-L94 WeakPolarHBondContact O-CG 3.49Å; R90-L94 PolarHBondContact O-N 3.15Å; R90-F121 HydrophobicContact CB-CE1 4.44Å; R90-F121 HydrophobicContact CB-CE2 4.32Å; R90-F121 HydrophobicContact CB-CZ 3.8Å; R90-F121 HydrophobicContact CG-CD2 4.43Å; R90-F121 HydrophobicContact CG-CE1 4.42Å; R90-F121 HydrophobicContact CG-CE2 3.63Å; R90-F121 HydrophobicContact CG-CZ 3.63Å; R90-T130 PolarHBondContact NH1-O 3.39Å; R90-T130 VanDerWaalsContact NH1-O 3.1Å
91	Y	96.6	Very high	94.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-40.4	176.1	-178.6	-129.5	0	0	0	112.2	L11 F71 V87 L88 H89 E93 L94 L95 A114 I117 L118 F121	L11-Y91 HydrophobicContact CD1-CE1 4.34Å; L11-Y91 HydrophobicContact CD2-CE1 4.42Å; F71-Y91 HydrophobicContact CD1-CD1 4.12Å; F71-Y91 AromaticContact CE1-CD1 3.72Å; F71-Y91 HydrophobicContact CE1-CD1 3.72Å; F71-Y91 AromaticContact CE1-CE1 3.96Å; F71-Y91 HydrophobicContact CE1-CE1 3.96Å; V87-Y91 PolarHBondContact O-N 3.47Å; L88-Y91 PolarHBondContact O-N 3.48Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.27Å; Y91-E93 VanDerWaalsContact C-N 3.33Å; Y91-E93 PolarHBondContact O-N 2.96Å; Y91-L94 PolarHBondContact O-N 2.88Å; Y91-L95 HydrophobicContact CD1-CD1 4.06Å; Y91-L95 HydrophobicContact CD2-CD1 4.48Å; Y91-L95 HydrophobicContact CD2-CG 4.34Å; Y91-L95 HydrophobicContact CE1-CD1 3.68Å; Y91-L95 HydrophobicContact CE1-CG 4.41Å; Y91-L95 HydrophobicContact CE2-CD1 4.13Å; Y91-L95 HydrophobicContact CE2-CD2 4.13Å; Y91-L95 HydrophobicContact CE2-CG 3.94Å; Y91-L95 HydrophobicContact CG-CD1 4.43Å; Y91-L95 WeakPolarHBondContact O-CG 3.46Å; Y91-L95 PolarHBondContact O-N 2.92Å; Y91-A114 PolarHBondContact OH-O 3.45Å; Y91-I117 HydrophobicContact CD2-CG2 4.18Å; Y91-I117 HydrophobicContact CE2-CB 4.25Å; Y91-I117 HydrophobicContact CE2-CG2 3.84Å; Y91-L118 HydrophobicContact CD1-CD1 4.16Å; Y91-L118 HydrophobicContact CD2-CB 4.48Å; Y91-L118 HydrophobicContact CD2-CD1 3.87Å; Y91-L118 HydrophobicContact CE1-CD1 4.1Å; Y91-L118 HydrophobicContact CE2-CB 3.69Å; Y91-L118 HydrophobicContact CE2-CD1 3.82Å; Y91-L118 HydrophobicContact CE2-CG 4.32Å; Y91-L118 HydrophobicContact CG-CD1 4.06Å; Y91-F121 HydrophobicContact CD2-CD1 4.21Å; Y91-F121 HydrophobicContact CG-CD1 4.43Å
92	V	96.6	Very high	94.1	Very high	21 Å²	21	52 Å²	52	13%	0.127	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-41.6	173.4	175.4	0	0	0	0	111.5	Y66 F71 L88 H89 R90 L94 L95 D96	Y66-V92 HydrophobicContact CD1-CG1 4.08Å; Y66-V92 HydrophobicContact CD1-CG2 4.36Å; Y66-V92 HydrophobicContact CD2-CG2 3.74Å; Y66-V92 HydrophobicContact CE1-CG1 4.39Å; Y66-V92 HydrophobicContact CE1-CG2 4.42Å; Y66-V92 HydrophobicContact CE2-CG2 3.79Å; Y66-V92 HydrophobicContact CG-CG1 4.31Å; Y66-V92 HydrophobicContact CG-CG2 4.03Å; F71-V92 HydrophobicContact CD1-CG2 4.04Å; F71-V92 HydrophobicContact CD2-CG2 4.23Å; F71-V92 HydrophobicContact CE1-CG2 3.62Å; F71-V92 HydrophobicContact CE2-CG2 3.85Å; F71-V92 HydrophobicContact CG-CG2 4.33Å; F71-V92 HydrophobicContact CZ-CG2 3.54Å; L88-V92 WeakPolarHBondContact O-CG2 3.17Å; L88-V92 PolarHBondContact O-N 2.88Å; H89-V92 WeakPolarHBondContact O-CB 3.13Å; H89-V92 PolarHBondContact O-N 3.38Å; R90-V92 VanDerWaalsContact C-N 3.34Å; R90-V92 PolarHBondContact O-N 2.95Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.43Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-D96 WeakPolarHBondContact O-CB 3.23Å; V92-D96 PolarHBondContact O-N 3.31Å
93	E	94.8	Very high	94.1	Very high	59 Å²	59	49.6 Å²	49.6	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-35.7	176.8	-61.6	-176.1	109.4	0	0	113	H89 R90 Y91 K97 K132	H89-E93 WeakPolarHBondContact O-CG 3.41Å; H89-E93 PolarHBondContact O-N 3.47Å; R90-E93 WeakPolarHBondContact CD-OE2 3.3Å; R90-E93 IonicContact CZ-OE2 2.61Å; R90-E93 IonicContact NE-OE2 2.6Å; R90-E93 PolarHBondContact NE-OE2 3Å; R90-E93 WeakPolarHBondContact O-CB 3.32Å; R90-E93 PolarHBondContact O-N 2.87Å; Y91-E93 VanDerWaalsContact C-N 3.33Å; Y91-E93 PolarHBondContact O-N 2.96Å; E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.47Å; E93-K97 PolarHBondContact O-N 3.17Å; E93-K132 IonicContact OE1-NZ 2.95Å; E93-K132 PolarHBondContact OE1-NZ 3.36Å; E93-K132 VanDerWaalsContact OE2-CE 3.22Å; E93-K132 WeakPolarHBondContact OE2-CE 3.26Å; E93-K132 IonicContact OE2-NZ 3.99Å; E93-K132 PolarHBondContact OE2-NZ 3.35Å
94	L	93	Very high	94.2	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-44.9	176	-70.7	170.9	0	0	0	110.9	R90 Y91 V92 D96 K97 Y98 I117 F121 K132 V135	R90-L94 HydrophobicContact CG-CD1 4.41Å; R90-L94 WeakPolarHBondContact O-CG 3.49Å; R90-L94 PolarHBondContact O-N 3.15Å; Y91-L94 PolarHBondContact O-N 2.88Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.43Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 3.07Å; L94-K97 PolarHBondContact O-N 3.42Å; L94-Y98 PolarHBondContact O-N 2.79Å; L94-I117 HydrophobicContact CB-CG2 3.76Å; L94-I117 HydrophobicContact CD1-CG2 4.39Å; L94-F121 HydrophobicContact CD1-CB 3.84Å; L94-F121 HydrophobicContact CD1-CD1 4.21Å; L94-F121 HydrophobicContact CD1-CD2 3.87Å; L94-F121 HydrophobicContact CD1-CG 3.7Å; L94-K132 HydrophobicContact CD2-CB 4.12Å; L94-K132 HydrophobicContact CD2-CG 3.86Å; L94-V135 HydrophobicContact CD2-CB 4.24Å; L94-V135 HydrophobicContact CD2-CG1 4.3Å; L94-V135 HydrophobicContact CD2-CG2 4.37Å
95	L	94.6	Very high	94.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-46.4	173.7	-71.2	169.5	0	0	0	111.3	F71 Y91 V92 K97 Y98 F99 V102 I107 A114 I117	F71-L95 HydrophobicContact CE1-CD1 4.24Å; F71-L95 HydrophobicContact CZ-CD1 4.28Å; Y91-L95 HydrophobicContact CD1-CD1 4.06Å; Y91-L95 HydrophobicContact CD2-CD1 4.48Å; Y91-L95 HydrophobicContact CD2-CG 4.34Å; Y91-L95 HydrophobicContact CE1-CD1 3.68Å; Y91-L95 HydrophobicContact CE1-CG 4.41Å; Y91-L95 HydrophobicContact CE2-CD1 4.13Å; Y91-L95 HydrophobicContact CE2-CD2 4.13Å; Y91-L95 HydrophobicContact CE2-CG 3.94Å; Y91-L95 HydrophobicContact CG-CD1 4.43Å; Y91-L95 WeakPolarHBondContact O-CG 3.46Å; Y91-L95 PolarHBondContact O-N 2.92Å; V92-L95 PolarHBondContact O-N 2.87Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.14Å; L95-Y98 PolarHBondContact O-N 2.79Å; L95-F99 HydrophobicContact CD2-CD2 4.33Å; L95-F99 HydrophobicContact CD2-CE2 3.86Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 PolarHBondContact O-N 2.79Å; L95-V102 HydrophobicContact CB-CB 4.48Å; L95-V102 HydrophobicContact CB-CG1 4.23Å; L95-V102 HydrophobicContact CB-CG2 4.21Å; L95-I107 HydrophobicContact CD1-CD1 4.1Å; L95-A114 HydrophobicContact CD2-CB 4.09Å; L95-I117 HydrophobicContact CD2-CD1 3.79Å
96	D	94.3	Very high	94.2	Very high	69 Å²	69	52 Å²	52	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-38.9	179.6	-169.5	58.7	0	0	0	112.5	V92 L94 Y98 G100 N101 V102	V92-D96 WeakPolarHBondContact O-CB 3.23Å; V92-D96 PolarHBondContact O-N 3.31Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 3.07Å; D96-Y98 VanDerWaalsContact C-N 3.33Å; D96-Y98 PolarHBondContact O-N 2.83Å; D96-G100 VanDerWaalsContact O-CA 3.27Å; D96-G100 WeakPolarHBondContact O-CA 3.31Å; D96-G100 PolarHBondContact O-N 2.94Å; D96-N101 WeakPolarHBondContact OD1-CA 3.31Å; D96-N101 PolarHBondContact OD1-N 3.04Å; D96-N101 VanDerWaalsContact OD1-N 3.17Å; D96-V102 HydrophobicContact CB-CG1 3.81Å; D96-V102 PolarHBondContact OD1-N 2.89Å
97	K	90.2	Very high	94.2	Very high	95 Å²	95	46.8 Å²	46.8	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-65.1	-36.5	175.7	-170.8	-178	-179.5	-161.1	0	112.4	E93 L94 L95 K132 N136	E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.47Å; E93-K97 PolarHBondContact O-N 3.17Å; L94-K97 PolarHBondContact O-N 3.42Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.14Å; K97-K132 HydrophobicContact CD-CB 3.96Å; K97-K132 HydrophobicContact CD-CD 4.47Å; K97-K132 PolarHBondContact NZ-O 3.45Å; K97-N136 WeakPolarHBondContact CE-ND2 3.43Å; K97-N136 PolarHBondContact NZ-ND2 3.4Å
98	Y	89	Confident	94.2	Very high	69 Å²	69	48.8 Å²	48.8	27%	0.271	26%	0.255	S	S	.	.	H	α-helix	trans	-77.4	-51.1	179.7	-179.4	-103.7	0	0	0	112.3	L94 L95 D96 K113 I117 M139 D143	L94-Y98 PolarHBondContact O-N 2.79Å; L95-Y98 PolarHBondContact O-N 2.79Å; D96-Y98 VanDerWaalsContact C-N 3.33Å; D96-Y98 PolarHBondContact O-N 2.83Å; Y98-K113 HydrophobicContact CE1-CB 4.03Å; Y98-K113 HydrophobicContact CE1-CG 4.36Å; Y98-I117 HydrophobicContact CD1-CD1 3.93Å; Y98-I117 HydrophobicContact CG-CD1 3.99Å; Y98-M139 HydrophobicContact CD1-CE 3.89Å; Y98-M139 HydrophobicContact CD2-CE 3.17Å; Y98-M139 HydrophobicContact CD2-SD 3.49Å; Y98-M139 WeakPolarHBondContact CD2-SD 3.35Å; Y98-M139 HydrophobicContact CE1-CE 3.81Å; Y98-M139 HydrophobicContact CE2-CB 4.4Å; Y98-M139 HydrophobicContact CE2-CE 3.1Å; Y98-M139 HydrophobicContact CE2-SD 3.91Å; Y98-M139 HydrophobicContact CG-CE 3.56Å; Y98-M139 HydrophobicContact CG-SD 4.02Å; Y98-M139 VanDerWaalsContact CZ-CE 3.42Å; Y98-D143 PolarHBondContact OH-OD2 3.2Å; Y98-D143 VanDerWaalsContact OH-OD2 3.07Å
99	F	90.3	Very high	94.1	Very high	43 Å²	43	56.1 Å²	56.1	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-82.5	-23.1	-175.1	-69.3	-68.3	0	0	0	113.8	L95 V102 D106 N110 K113 I117	L95-F99 HydrophobicContact CD2-CD2 4.33Å; L95-F99 HydrophobicContact CD2-CE2 3.86Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 PolarHBondContact O-N 2.79Å; F99-V102 HydrophobicContact CB-CB 4.02Å; F99-V102 HydrophobicContact CB-CG2 4.09Å; F99-V102 HydrophobicContact CD2-CB 4.36Å; F99-V102 HydrophobicContact CD2-CG2 3.69Å; F99-V102 HydrophobicContact CG-CG2 4.18Å; F99-D106 HydrophobicContact CB-CB 4.39Å; F99-D106 HydrophobicContact CD1-CB 3.88Å; F99-D106 HydrophobicContact CD2-CB 4.38Å; F99-D106 HydrophobicContact CE1-CB 4.24Å; F99-D106 HydrophobicContact CG-CB 3.96Å; F99-N110 HydrophobicContact CE1-CB 3.66Å; F99-N110 HydrophobicContact CZ-CB 3.8Å; F99-K113 HydrophobicContact CZ-CB 4.27Å; F99-I117 HydrophobicContact CE2-CD1 4.3Å
100	G	89.9	Confident	94	Very high	48 Å²	48	55.7 Å²	55.7	50%	0.495	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	93.3	-176.5	0	0	0	0	0	112.7	D96	D96-G100 VanDerWaalsContact O-CA 3.27Å; D96-G100 WeakPolarHBondContact O-CA 3.31Å; D96-G100 PolarHBondContact O-N 2.94Å
101	N	89.9	Confident	93.9	Very high	145 Å²	145	56.9 Å²	56.9	78%	0.775	30%	0.295	S	S	*	.	S	Bend	trans	64.6	57.8	-169.2	-52.7	-66.9	0	0	0	112.2	D96 C103	D96-N101 WeakPolarHBondContact OD1-CA 3.31Å; D96-N101 PolarHBondContact OD1-N 3.04Å; D96-N101 VanDerWaalsContact OD1-N 3.17Å; N101-C103 PolarHBondContact O-N 2.79Å
102	V	94	Very high	93.7	Very high	35 Å²	35	63 Å²	63	21%	0.212	32%	0.323	C	S	.	.			trans	-55.6	135.5	-173.6	65.5	0	0	0	0	112.5	L95 D96 F99 D106 I107	L95-V102 HydrophobicContact CB-CB 4.48Å; L95-V102 HydrophobicContact CB-CG1 4.23Å; L95-V102 HydrophobicContact CB-CG2 4.21Å; D96-V102 HydrophobicContact CB-CG1 3.81Å; D96-V102 PolarHBondContact OD1-N 2.89Å; F99-V102 HydrophobicContact CB-CB 4.02Å; F99-V102 HydrophobicContact CB-CG2 4.09Å; F99-V102 HydrophobicContact CD2-CB 4.36Å; F99-V102 HydrophobicContact CD2-CG2 3.69Å; F99-V102 HydrophobicContact CG-CG2 4.18Å; V102-D106 HydrophobicContact CG2-CB 4.31Å; V102-I107 HydrophobicContact CG2-CG1 4.27Å
103	C	95.3	Very high	93.5	Very high	58 Å²	58	63.9 Å²	63.9	39%	0.392	33%	0.325	S	S	.	.			trans	-123.6	172.2	172.6	80.7	0	0	0	0	112.4	N101 L105 D106	N101-C103 PolarHBondContact O-N 2.79Å; C103-L105 PolarHBondContact O-N 2.76Å; C103-D106 PolarHBondContact N-OD2 3.09Å; C103-D106 PolarHBondContact O-N 2.88Å; C103-D106 VanDerWaalsContact SG-CG 3.6Å; C103-D106 PolarHBondContact SG-OD2 2.87Å
104	E	96.7	Very high	93.5	Very high	31 Å²	31	61.1 Å²	61.1	15%	0.145	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-33.5	179	172.6	176.7	175.9	0	0	112.7	N13 R19 S68 L69 I107 I108	N13-E104 WeakPolarHBondContact CB-OE1 3.47Å; N13-E104 PolarHBondContact ND2-OE1 2.89Å; R19-E104 IonicContact CZ-OE1 3.21Å; R19-E104 IonicContact NE-OE1 3.82Å; R19-E104 PolarHBondContact NE-OE1 3.41Å; R19-E104 IonicContact NH2-OE1 2.75Å; R19-E104 PolarHBondContact NH2-OE1 3.35Å; S68-E104 WeakPolarHBondContact CB-OE2 3.21Å; S68-E104 PolarHBondContact OG-OE2 3.17Å; L69-E104 HydrophobicContact CD1-CB 4.06Å; L69-E104 HydrophobicContact CD1-CG 4.43Å; L69-E104 HydrophobicContact CD2-CB 4.32Å; L69-E104 HydrophobicContact CD2-CG 3.93Å; L69-E104 HydrophobicContact CG-CB 4.09Å; L69-E104 HydrophobicContact CG-CG 4.27Å; E104-I107 PolarHBondContact O-N 2.87Å; E104-I108 HydrophobicContact CG-CD1 3.79Å; E104-I108 HydrophobicContact CG-CG1 4.44Å; E104-I108 WeakPolarHBondContact O-CD1 3.12Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.44Å; E104-I108 PolarHBondContact O-N 3.1Å; E104-I108 VanDerWaalsContact O-N 3.13Å
105	L	96.6	Very high	93.6	Very high	99 Å²	99	64 Å²	64	52%	0.518	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-38	179.5	-64.6	177.7	0	0	0	111.4	C103 I107 I108 F109	C103-L105 PolarHBondContact O-N 2.76Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.15Å; L105-I108 HydrophobicContact CD2-CD1 4.24Å; L105-I108 WeakPolarHBondContact O-CB 3.23Å; L105-I108 PolarHBondContact O-N 2.78Å; L105-F109 HydrophobicContact CB-CD2 4.09Å; L105-F109 HydrophobicContact CB-CE2 4.09Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 WeakPolarHBondContact O-CD2 3.3Å; L105-F109 PolarHBondContact O-N 3.43Å
106	D	95.9	Very high	93.5	Very high	45 Å²	45	66.8 Å²	66.8	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-41.5	178.4	-55.8	-41.9	0	0	0	111.1	F99 V102 C103 N110	F99-D106 HydrophobicContact CB-CB 4.39Å; F99-D106 HydrophobicContact CD1-CB 3.88Å; F99-D106 HydrophobicContact CD2-CB 4.38Å; F99-D106 HydrophobicContact CE1-CB 4.24Å; F99-D106 HydrophobicContact CG-CB 3.96Å; V102-D106 HydrophobicContact CG2-CB 4.31Å; C103-D106 PolarHBondContact N-OD2 3.09Å; C103-D106 PolarHBondContact O-N 2.88Å; C103-D106 VanDerWaalsContact SG-CG 3.6Å; C103-D106 PolarHBondContact SG-OD2 2.87Å; D106-N110 WeakPolarHBondContact O-CA 3.34Å; D106-N110 VanDerWaalsContact O-CB 3.25Å; D106-N110 WeakPolarHBondContact O-CB 3.48Å; D106-N110 PolarHBondContact O-N 3.43Å; D106-N110 PolarHBondContact O-ND2 3.34Å; D106-N110 VanDerWaalsContact O-ND2 3.09Å
107	I	95.9	Very high	93.4	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-34.7	176	-59.4	177.1	0	0	0	111.5	L11 R19 L69 L95 V102 E104 L105 F111 A114	L11-I107 HydrophobicContact CD2-CD1 4.04Å; L11-I107 HydrophobicContact CD2-CG2 4.46Å; R19-I107 HydrophobicContact CB-CG2 4.39Å; L69-I107 HydrophobicContact CD1-CD1 3.68Å; L95-I107 HydrophobicContact CD1-CD1 4.1Å; V102-I107 HydrophobicContact CG2-CG1 4.27Å; E104-I107 PolarHBondContact O-N 2.87Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.15Å; I107-F111 WeakPolarHBondContact O-CA 3.49Å; I107-F111 WeakPolarHBondContact O-CB 3.3Å; I107-F111 PolarHBondContact O-N 2.95Å; I107-A114 HydrophobicContact CG2-CB 4.25Å
108	I	95.8	Very high	93.7	Very high	55 Å²	55	59 Å²	59	28%	0.282	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-46.8	178.4	-70.5	163.2	0	0	0	111	E104 L105	E104-I108 HydrophobicContact CG-CD1 3.79Å; E104-I108 HydrophobicContact CG-CG1 4.44Å; E104-I108 WeakPolarHBondContact O-CD1 3.12Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.44Å; E104-I108 PolarHBondContact O-N 3.1Å; E104-I108 VanDerWaalsContact O-N 3.13Å; L105-I108 HydrophobicContact CD2-CD1 4.24Å; L105-I108 WeakPolarHBondContact O-CB 3.23Å; L105-I108 PolarHBondContact O-N 2.78Å
109	F	94.9	Very high	93.8	Very high	153 Å²	153	58.5 Å²	58.5	67%	0.671	30%	0.3	S	S	*	.	H	α-helix	trans	-78.8	-30	-176.3	-71.3	-65.1	0	0	0	112.4	L105	L105-F109 HydrophobicContact CB-CD2 4.09Å; L105-F109 HydrophobicContact CB-CE2 4.09Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 WeakPolarHBondContact O-CD2 3.3Å; L105-F109 PolarHBondContact O-N 3.43Å
110	N	94.1	Very high	93.9	Very high	66 Å²	66	59.2 Å²	59.2	35%	0.353	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	44	-178.4	-49.9	-74	0	0	0	111.3	F99 D106 E112 K113 A114	F99-N110 HydrophobicContact CE1-CB 3.66Å; F99-N110 HydrophobicContact CZ-CB 3.8Å; D106-N110 WeakPolarHBondContact O-CA 3.34Å; D106-N110 VanDerWaalsContact O-CB 3.25Å; D106-N110 WeakPolarHBondContact O-CB 3.48Å; D106-N110 PolarHBondContact O-N 3.43Å; D106-N110 PolarHBondContact O-ND2 3.34Å; D106-N110 VanDerWaalsContact O-ND2 3.09Å; N110-E112 PolarHBondContact O-N 3.05Å; N110-K113 HydrophobicContact CB-CB 4.29Å; N110-K113 HydrophobicContact CB-CG 4.32Å; N110-K113 PolarHBondContact O-N 3.22Å; N110-K113 VanDerWaalsContact O-N 3.11Å; N110-A114 PolarHBondContact O-N 3.01Å; N110-A114 VanDerWaalsContact O-N 3.09Å
111	F	93.6	Very high	94	Very high	98 Å²	98	57.1 Å²	57.1	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-35.4	-175.9	72.5	-88.6	0	0	0	112.1	I107 K113 A114 Y115	I107-F111 WeakPolarHBondContact O-CA 3.49Å; I107-F111 WeakPolarHBondContact O-CB 3.3Å; I107-F111 PolarHBondContact O-N 2.95Å; F111-K113 PolarHBondContact O-N 3.17Å; F111-A114 WeakPolarHBondContact O-CB 3.5Å; F111-A114 PolarHBondContact O-N 2.85Å; F111-Y115 HydrophobicContact CD2-CD2 4.13Å; F111-Y115 HydrophobicContact CD2-CE2 4.21Å; F111-Y115 WeakPolarHBondContact O-CD2 3.17Å; F111-Y115 PolarHBondContact O-N 2.93Å
112	E	92.9	Very high	94.1	Very high	127 Å²	127	50.3 Å²	50.3	59%	0.593	25%	0.246	S	C	*	.	H	α-helix	trans	-60.8	-44.6	177	-60.3	-176.1	171.6	0	0	111.7	N110 A114 Y115 F116	N110-E112 PolarHBondContact O-N 3.05Å; E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 PolarHBondContact O-N 3.38Å; E112-Y115 PolarHBondContact O-N 3.21Å; E112-F116 WeakPolarHBondContact O-CB 3.46Å; E112-F116 PolarHBondContact O-N 3.34Å
113	K	91.6	Very high	93.9	Very high	41 Å²	41	54.5 Å²	54.5	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-37.5	175.8	-57.4	-58.8	-176.5	-173.4	0	111.4	Y98 F99 N110 F111 F116 I117 D143	Y98-K113 HydrophobicContact CE1-CB 4.03Å; Y98-K113 HydrophobicContact CE1-CG 4.36Å; F99-K113 HydrophobicContact CZ-CB 4.27Å; N110-K113 HydrophobicContact CB-CB 4.29Å; N110-K113 HydrophobicContact CB-CG 4.32Å; N110-K113 PolarHBondContact O-N 3.22Å; N110-K113 VanDerWaalsContact O-N 3.11Å; F111-K113 PolarHBondContact O-N 3.17Å; K113-F116 WeakPolarHBondContact O-CB 3.47Å; K113-F116 PolarHBondContact O-N 2.85Å; K113-I117 VanDerWaalsContact O-CG1 3.26Å; K113-I117 WeakPolarHBondContact O-CG1 3.2Å; K113-I117 PolarHBondContact O-N 2.77Å; K113-D143 WeakPolarHBondContact CE-OD1 3.13Å; K113-D143 IonicContact NZ-OD1 3.26Å; K113-D143 PolarHBondContact NZ-OD1 2.92Å
114	A	95.8	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-44.1	173.5	0	0	0	0	0	112	L20 Y91 L95 I107 N110 F111 E112 F116 I117 L118	L20-A114 HydrophobicContact CD1-CB 4.19Å; Y91-A114 PolarHBondContact OH-O 3.45Å; L95-A114 HydrophobicContact CD2-CB 4.09Å; I107-A114 HydrophobicContact CG2-CB 4.25Å; N110-A114 PolarHBondContact O-N 3.01Å; N110-A114 VanDerWaalsContact O-N 3.09Å; F111-A114 WeakPolarHBondContact O-CB 3.5Å; F111-A114 PolarHBondContact O-N 2.85Å; E112-A114 VanDerWaalsContact C-N 3.34Å; E112-A114 PolarHBondContact O-N 3.38Å; A114-F116 VanDerWaalsContact C-N 3.34Å; A114-I117 PolarHBondContact O-N 3.4Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 3.31Å
115	Y	95.4	Very high	93.2	Very high	64 Å²	64	52.3 Å²	52.3	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-40.2	173	-83.5	-77.3	0	0	0	112.2	L20 Q21 F111 E112 L118 D119	L20-Y115 HydrophobicContact CD1-CD1 4.32Å; L20-Y115 HydrophobicContact CD1-CD2 4.33Å; L20-Y115 HydrophobicContact CD1-CE1 4.28Å; L20-Y115 HydrophobicContact CD1-CE2 4.28Å; L20-Y115 HydrophobicContact CD1-CG 4.34Å; L20-Y115 HydrophobicContact CD2-CE1 4.12Å; L20-Y115 HydrophobicContact CG-CD1 4.33Å; L20-Y115 HydrophobicContact CG-CE1 3.81Å; L20-Y115 HydrophobicContact CG-CE2 4.05Å; Q21-Y115 PolarHBondContact N-OH 2.85Å; Q21-Y115 WeakPolarHBondContact O-CE1 3.49Å; Q21-Y115 PolarHBondContact O-OH 3.3Å; F111-Y115 HydrophobicContact CD2-CD2 4.13Å; F111-Y115 HydrophobicContact CD2-CE2 4.21Å; F111-Y115 WeakPolarHBondContact O-CD2 3.17Å; F111-Y115 PolarHBondContact O-N 2.93Å; E112-Y115 PolarHBondContact O-N 3.21Å; Y115-L118 WeakPolarHBondContact O-CB 3.34Å; Y115-L118 PolarHBondContact O-N 3.36Å; Y115-D119 WeakPolarHBondContact O-CB 3.47Å; Y115-D119 VanDerWaalsContact O-CG 3.26Å; Y115-D119 PolarHBondContact O-N 2.89Å
116	F	92.1	Very high	92.9	Very high	58 Å²	58	50.6 Å²	50.6	25%	0.254	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-50.2	176.9	-175.2	-89.3	0	0	0	111.6	E112 K113 A114 L118 D119 E120 M139 A142	E112-F116 WeakPolarHBondContact O-CB 3.46Å; E112-F116 PolarHBondContact O-N 3.34Å; K113-F116 WeakPolarHBondContact O-CB 3.47Å; K113-F116 PolarHBondContact O-N 2.85Å; A114-F116 VanDerWaalsContact C-N 3.34Å; F116-L118 PolarHBondContact O-N 3.06Å; F116-D119 PolarHBondContact O-N 3.31Å; F116-D119 VanDerWaalsContact O-N 3.1Å; F116-E120 HydrophobicContact CD1-CG 4.19Å; F116-E120 HydrophobicContact CE1-CG 3.7Å; F116-E120 HydrophobicContact CZ-CG 3.96Å; F116-E120 PolarHBondContact O-N 2.87Å; F116-M139 HydrophobicContact CD1-CE 4.34Å; F116-M139 HydrophobicContact CD1-CG 3.81Å; F116-M139 HydrophobicContact CE1-CB 4.21Å; F116-M139 HydrophobicContact CE1-CG 3.61Å; F116-A142 HydrophobicContact CE1-CB 4.05Å; F116-A142 HydrophobicContact CE2-CB 3.75Å; F116-A142 HydrophobicContact CZ-CB 3.39Å
117	I	92.4	Very high	92.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-44	174.5	-65.3	162.4	0	0	0	110.7	Y91 L94 L95 Y98 F99 K113 A114 D119 F121 M139	Y91-I117 HydrophobicContact CD2-CG2 4.18Å; Y91-I117 HydrophobicContact CE2-CB 4.25Å; Y91-I117 HydrophobicContact CE2-CG2 3.84Å; L94-I117 HydrophobicContact CB-CG2 3.76Å; L94-I117 HydrophobicContact CD1-CG2 4.39Å; L95-I117 HydrophobicContact CD2-CD1 3.79Å; Y98-I117 HydrophobicContact CD1-CD1 3.93Å; Y98-I117 HydrophobicContact CG-CD1 3.99Å; F99-I117 HydrophobicContact CE2-CD1 4.3Å; K113-I117 VanDerWaalsContact O-CG1 3.26Å; K113-I117 WeakPolarHBondContact O-CG1 3.2Å; K113-I117 PolarHBondContact O-N 2.77Å; A114-I117 PolarHBondContact O-N 3.4Å; I117-D119 VanDerWaalsContact C-N 3.29Å; I117-D119 PolarHBondContact O-N 2.85Å; I117-F121 VanDerWaalsContact O-CB 3.27Å; I117-F121 WeakPolarHBondContact O-CB 3.29Å; I117-F121 PolarHBondContact O-N 2.79Å; I117-M139 HydrophobicContact CD1-CE 3.63Å; I117-M139 HydrophobicContact CD1-SD 4.11Å; I117-M139 HydrophobicContact CG1-CE 3.23Å; I117-M139 HydrophobicContact CG1-SD 3.45Å; I117-M139 WeakPolarHBondContact CG1-SD 3.33Å
118	L	95.1	Very high	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-36.3	-179.3	-173.9	59.8	0	0	0	112.1	L9 L20 K22 Y91 A114 Y115 F116 F121 L122	L9-L118 HydrophobicContact CD1-CD1 4.25Å; L9-L118 HydrophobicContact CD2-CD2 4.34Å; L20-L118 HydrophobicContact CD1-CD2 4.33Å; L20-L118 HydrophobicContact CD2-CD2 3.62Å; K22-L118 HydrophobicContact CB-CD2 3.7Å; K22-L118 HydrophobicContact CD-CD2 4.42Å; K22-L118 HydrophobicContact CG-CD2 4.01Å; Y91-L118 HydrophobicContact CD1-CD1 4.16Å; Y91-L118 HydrophobicContact CD2-CB 4.48Å; Y91-L118 HydrophobicContact CD2-CD1 3.87Å; Y91-L118 HydrophobicContact CE1-CD1 4.1Å; Y91-L118 HydrophobicContact CE2-CB 3.69Å; Y91-L118 HydrophobicContact CE2-CD1 3.82Å; Y91-L118 HydrophobicContact CE2-CG 4.32Å; Y91-L118 HydrophobicContact CG-CD1 4.06Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 3.31Å; Y115-L118 WeakPolarHBondContact O-CB 3.34Å; Y115-L118 PolarHBondContact O-N 3.36Å; F116-L118 PolarHBondContact O-N 3.06Å; L118-F121 PolarHBondContact O-N 2.9Å; L118-L122 HydrophobicContact CD1-CD1 3.74Å; L118-L122 HydrophobicContact CD1-CG 4.25Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 PolarHBondContact O-N 2.84Å
119	D	92.6	Very high	91.2	Very high	58 Å²	58	56.7 Å²	56.7	31%	0.31	28%	0.281	S	S	.	.	H	α-helix	trans	-78.8	-32.4	-177	-73.5	3.9	0	0	0	112.3	K22 Y115 F116 I117 F121	K22-D119 WeakPolarHBondContact CE-OD1 3.47Å; K22-D119 IonicContact NZ-OD1 2.84Å; K22-D119 PolarHBondContact NZ-OD1 3.04Å; K22-D119 IonicContact NZ-OD2 2.74Å; K22-D119 PolarHBondContact NZ-OD2 3.42Å; Y115-D119 WeakPolarHBondContact O-CB 3.47Å; Y115-D119 VanDerWaalsContact O-CG 3.26Å; Y115-D119 PolarHBondContact O-N 2.89Å; F116-D119 PolarHBondContact O-N 3.31Å; F116-D119 VanDerWaalsContact O-N 3.1Å; I117-D119 VanDerWaalsContact C-N 3.29Å; I117-D119 PolarHBondContact O-N 2.85Å; D119-F121 VanDerWaalsContact C-N 3.31Å
120	E	90.8	Very high	90	Very high	59 Å²	59	53.3 Å²	53.3	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-33	167.9	-69.4	-56.2	129.1	0	0	111.8	F116 V135	F116-E120 HydrophobicContact CD1-CG 4.19Å; F116-E120 HydrophobicContact CE1-CG 3.7Å; F116-E120 HydrophobicContact CZ-CG 3.96Å; F116-E120 PolarHBondContact O-N 2.87Å; E120-V135 HydrophobicContact CB-CG1 4.19Å
121	F	92.3	Very high	89	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-80.4	-44	179.3	176.6	-134.7	0	0	0	113.1	V87 R90 Y91 L94 I117 L118 D119 V127 L128 E129	V87-F121 HydrophobicContact CB-CZ 4.45Å; V87-F121 HydrophobicContact CG1-CE1 3.75Å; V87-F121 HydrophobicContact CG1-CZ 3.93Å; V87-F121 WeakPolarHBondContact O-CE1 3.23Å; R90-F121 HydrophobicContact CB-CE1 4.44Å; R90-F121 HydrophobicContact CB-CE2 4.32Å; R90-F121 HydrophobicContact CB-CZ 3.8Å; R90-F121 HydrophobicContact CG-CD2 4.43Å; R90-F121 HydrophobicContact CG-CE1 4.42Å; R90-F121 HydrophobicContact CG-CE2 3.63Å; R90-F121 HydrophobicContact CG-CZ 3.63Å; Y91-F121 HydrophobicContact CD2-CD1 4.21Å; Y91-F121 HydrophobicContact CG-CD1 4.43Å; L94-F121 HydrophobicContact CD1-CB 3.84Å; L94-F121 HydrophobicContact CD1-CD1 4.21Å; L94-F121 HydrophobicContact CD1-CD2 3.87Å; L94-F121 HydrophobicContact CD1-CG 3.7Å; I117-F121 VanDerWaalsContact O-CB 3.27Å; I117-F121 WeakPolarHBondContact O-CB 3.29Å; I117-F121 PolarHBondContact O-N 2.79Å; L118-F121 PolarHBondContact O-N 2.9Å; D119-F121 VanDerWaalsContact C-N 3.31Å; F121-V127 HydrophobicContact CD2-CG1 4.43Å; F121-V127 HydrophobicContact CE2-CG1 3.89Å; F121-V127 HydrophobicContact CE2-CG2 4.39Å; F121-V127 HydrophobicContact CZ-CG2 4.42Å; F121-L128 PolarHBondContact O-N 3.11Å; F121-E129 VanDerWaalsContact CD2-O 3.28Å; F121-E129 WeakPolarHBondContact CD2-O 3.23Å
122	L	92.1	Very high	87.9	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	-172.7	-62.3	-179.8	0	0	0	111.8	L6 L9 F24 V87 L118 E126 V127	L6-L122 HydrophobicContact CD1-CD1 4Å; L9-L122 HydrophobicContact CD1-CD1 4.22Å; F24-L122 HydrophobicContact CE1-CB 4.12Å; F24-L122 HydrophobicContact CZ-CB 4.11Å; F24-L122 HydrophobicContact CZ-CD1 3.85Å; V87-L122 HydrophobicContact CG1-CD1 4.04Å; V87-L122 HydrophobicContact CG1-CD2 3.92Å; L118-L122 HydrophobicContact CD1-CD1 3.74Å; L118-L122 HydrophobicContact CD1-CG 4.25Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 PolarHBondContact O-N 2.84Å; L122-E126 CarbonylContact C-O 3.56Å; L122-E126 VanDerWaalsContact CA-O 3.27Å; L122-E126 WeakPolarHBondContact CA-O 3.37Å; L122-V127 HydrophobicContact CD2-CB 4.37Å; L122-V127 HydrophobicContact CD2-CG2 3.83Å
123	M	89.9	Confident	86.9	Confident	123 Å²	123	51.8 Å²	51.8	61%	0.606	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	173.5	-168.4	173.9	-74.1	0	0	110.6	G125 E126 L128	M123-G125 PolarHBondContact O-N 3.13Å; M123-G125 VanDerWaalsContact O-N 3.07Å; M123-E126 PolarHBondContact N-O 2.92Å; M123-E126 PolarHBondContact O-N 3.03Å; M123-L128 HydrophobicContact CB-CB 4.23Å; M123-L128 HydrophobicContact CB-CD2 4.24Å; M123-L128 HydrophobicContact CE-CD2 3.89Å
124	G	88.8	Confident	85.9	Confident	38 Å²	38	51.2 Å²	51.2	39%	0.392	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	18.9	177.1	0	0	0	0	0	115.5	K5	K5-G124 WeakPolarHBondContact CD-O 3.31Å
125	G	89	Confident	84.8	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	9.5	-177.5	0	0	0	0	0	114.3	L6 F24 M123	L6-G125 PolarHBondContact N-O 2.86Å; F24-G125 VanDerWaalsContact CG-CA 3.45Å; M123-G125 PolarHBondContact O-N 3.13Å; M123-G125 VanDerWaalsContact O-N 3.07Å
126	E	89.2	Confident	83.7	Confident	63 Å²	63	49.6 Å²	49.6	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.5	179.4	-74.2	173.8	-129	0	0	110.9	W3 R4 K5 L122 M123 L128	W3-E126 WeakPolarHBondContact CB-OE1 3.28Å; R4-E126 WeakPolarHBondContact O-CG 3.26Å; K5-E126 VanDerWaalsContact CE-OE1 3.24Å; K5-E126 WeakPolarHBondContact CE-OE1 3.14Å; K5-E126 HydrophobicContact CG-CG 4.37Å; L122-E126 CarbonylContact C-O 3.56Å; L122-E126 VanDerWaalsContact CA-O 3.27Å; L122-E126 WeakPolarHBondContact CA-O 3.37Å; M123-E126 PolarHBondContact N-O 2.92Å; M123-E126 PolarHBondContact O-N 3.03Å; E126-L128 PolarHBondContact O-N 3.26Å
127	V	89.1	Confident	82.9	Confident	63 Å²	63	48.9 Å²	48.9	38%	0.382	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.6	176	179.2	0	0	0	0	109	V87 F121 L122 T130	V87-V127 HydrophobicContact CG2-CG2 3.64Å; F121-V127 HydrophobicContact CD2-CG1 4.43Å; F121-V127 HydrophobicContact CE2-CG1 3.89Å; F121-V127 HydrophobicContact CE2-CG2 4.39Å; F121-V127 HydrophobicContact CZ-CG2 4.42Å; L122-V127 HydrophobicContact CD2-CB 4.37Å; L122-V127 HydrophobicContact CD2-CG2 3.83Å; V127-T130 HydrophobicContact CG1-CG2 3.43Å; V127-T130 VanDerWaalsContact CG1-CG2 3.43Å
128	L	85.6	Confident	81.9	Confident	98 Å²	98	50.6 Å²	50.6	51%	0.513	28%	0.279	S	S	.	.			trans	-89.6	-62.6	176.8	177.7	64.6	0	0	0	110.1	F121 M123 E126	F121-L128 PolarHBondContact O-N 3.11Å; M123-L128 HydrophobicContact CB-CB 4.23Å; M123-L128 HydrophobicContact CB-CD2 4.24Å; M123-L128 HydrophobicContact CE-CD2 3.89Å; E126-L128 PolarHBondContact O-N 3.26Å
129	E	77.8	Confident	80.7	Confident	70 Å²	70	50.7 Å²	50.7	33%	0.327	28%	0.279	S	S	.	.			trans	-122.9	130.8	-177.4	-178.5	52.5	-95.6	0	0	110.2	F121 S131 A134 V135	F121-E129 VanDerWaalsContact CD2-O 3.28Å; F121-E129 WeakPolarHBondContact CD2-O 3.23Å; E129-S131 WeakPolarHBondContact OE1-CB 3.36Å; E129-S131 PolarHBondContact OE1-N 3.31Å; E129-A134 HydrophobicContact CG-CB 3.83Å; E129-V135 HydrophobicContact CB-CG2 4.38Å; E129-V135 HydrophobicContact CG-CG2 4.05Å
130	T	70.3	Confident	79.8	Confident	82 Å²	82	53.9 Å²	53.9	50%	0.503	29%	0.292	S	S	.	.			trans	-103	-16.5	178.1	56.8	0	0	0	0	113	R90 V127 K132	R90-T130 PolarHBondContact NH1-O 3.39Å; R90-T130 VanDerWaalsContact NH1-O 3.1Å; V127-T130 HydrophobicContact CG1-CG2 3.43Å; V127-T130 VanDerWaalsContact CG1-CG2 3.43Å; T130-K132 PolarHBondContact O-N 2.95Å
131	S	73.3	Confident	78.9	Confident	46 Å²	46	56.7 Å²	56.7	32%	0.322	31%	0.305	S	S	.	.			trans	-72.5	111.2	-178.7	178.8	0	0	0	0	110.9	E129 F133 A134 V135	E129-S131 WeakPolarHBondContact OE1-CB 3.36Å; E129-S131 PolarHBondContact OE1-N 3.31Å; S131-F133 PolarHBondContact O-N 3.28Å; S131-F133 VanDerWaalsContact O-N 3.09Å; S131-F133 PolarHBondContact OG-N 2.91Å; S131-A134 PolarHBondContact O-N 3.02Å; S131-A134 PolarHBondContact OG-N 3.47Å; S131-V135 PolarHBondContact O-N 3.2Å; S131-V135 VanDerWaalsContact O-N 3.15Å
132	K	68.7	Low	77.8	Confident	67 Å²	67	57.4 Å²	57.4	29%	0.291	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-21	172.3	-58.5	-175.2	-180	177.7	0	112.6	E93 L94 K97 T130 N136	E93-K132 IonicContact OE1-NZ 2.95Å; E93-K132 PolarHBondContact OE1-NZ 3.36Å; E93-K132 VanDerWaalsContact OE2-CE 3.22Å; E93-K132 WeakPolarHBondContact OE2-CE 3.26Å; E93-K132 IonicContact OE2-NZ 3.99Å; E93-K132 PolarHBondContact OE2-NZ 3.35Å; L94-K132 HydrophobicContact CD2-CB 4.12Å; L94-K132 HydrophobicContact CD2-CG 3.86Å; K97-K132 HydrophobicContact CD-CB 3.96Å; K97-K132 HydrophobicContact CD-CD 4.47Å; K97-K132 PolarHBondContact NZ-O 3.45Å; T130-K132 PolarHBondContact O-N 2.95Å; K132-N136 PolarHBondContact O-OD1 2.97Å
133	F	72.1	Confident	76.8	Confident	147 Å²	147	59.4 Å²	59.4	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-80.4	-47.1	177.3	179.3	-97.5	0	0	0	111	S131 V135 N136 V137	S131-F133 PolarHBondContact O-N 3.28Å; S131-F133 VanDerWaalsContact O-N 3.09Å; S131-F133 PolarHBondContact OG-N 2.91Å; F133-V135 VanDerWaalsContact C-N 3.34Å; F133-V135 PolarHBondContact O-N 2.98Å; F133-N136 PolarHBondContact O-N 3.5Å; F133-V137 HydrophobicContact CD1-CG2 4.16Å; F133-V137 HydrophobicContact CE1-CG2 3.74Å; F133-V137 HydrophobicContact CE2-CG2 4.15Å; F133-V137 HydrophobicContact CZ-CG2 3.73Å; F133-V137 WeakPolarHBondContact O-CG2 3.3Å; F133-V137 PolarHBondContact O-N 3.35Å
134	A	72.3	Confident	75.9	Confident	28 Å²	28	58.3 Å²	58.3	23%	0.231	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-39.7	-179.9	0	0	0	0	0	112.2	E129 S131 V137 S138	E129-A134 HydrophobicContact CG-CB 3.83Å; S131-A134 PolarHBondContact O-N 3.02Å; S131-A134 PolarHBondContact OG-N 3.47Å; A134-V137 PolarHBondContact O-N 3.41Å; A134-S138 PolarHBondContact O-N 2.9Å; A134-S138 VanDerWaalsContact O-N 3.1Å; A134-S138 PolarHBondContact O-OG 3.21Å
135	V	72.7	Confident	74.8	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-48.4	174.6	177.2	0	0	0	0	110.5	L94 E120 E129 S131 F133 V137 S138 M139	L94-V135 HydrophobicContact CD2-CB 4.24Å; L94-V135 HydrophobicContact CD2-CG1 4.3Å; L94-V135 HydrophobicContact CD2-CG2 4.37Å; E120-V135 HydrophobicContact CB-CG1 4.19Å; E129-V135 HydrophobicContact CB-CG2 4.38Å; E129-V135 HydrophobicContact CG-CG2 4.05Å; S131-V135 PolarHBondContact O-N 3.2Å; S131-V135 VanDerWaalsContact O-N 3.15Å; F133-V135 VanDerWaalsContact C-N 3.34Å; F133-V135 PolarHBondContact O-N 2.98Å; V135-V137 PolarHBondContact O-N 2.96Å; V135-S138 PolarHBondContact O-N 2.71Å; V135-M139 HydrophobicContact CG1-SD 4.38Å; V135-M139 VanDerWaalsContact O-CG 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.46Å; V135-M139 PolarHBondContact O-N 3.05Å
136	N	71.6	Confident	73.3	Confident	29 Å²	29	69.9 Å²	69.9	16%	0.155	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-42.9	179	-82	27.6	0	0	0	113.2	K97 K132 F133 S138 M139 E140	K97-N136 WeakPolarHBondContact CE-ND2 3.43Å; K97-N136 PolarHBondContact NZ-ND2 3.4Å; K132-N136 PolarHBondContact O-OD1 2.97Å; F133-N136 PolarHBondContact O-N 3.5Å; N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 3.27Å; N136-M139 WeakPolarHBondContact O-CB 3.43Å; N136-M139 PolarHBondContact O-N 3.16Å; N136-E140 PolarHBondContact O-N 3.11Å
137	V	74.3	Confident	71.4	Confident	42 Å²	42	77.7 Å²	77.7	26%	0.255	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-42	178.7	171.4	0	0	0	0	110.8	F133 A134 V135 M139 E140 Q141	F133-V137 HydrophobicContact CD1-CG2 4.16Å; F133-V137 HydrophobicContact CE1-CG2 3.74Å; F133-V137 HydrophobicContact CE2-CG2 4.15Å; F133-V137 HydrophobicContact CZ-CG2 3.73Å; F133-V137 WeakPolarHBondContact O-CG2 3.3Å; F133-V137 PolarHBondContact O-N 3.35Å; A134-V137 PolarHBondContact O-N 3.41Å; V135-V137 PolarHBondContact O-N 2.96Å; V137-M139 VanDerWaalsContact C-N 3.27Å; V137-M139 PolarHBondContact O-N 3.45Å; V137-E140 PolarHBondContact O-N 3.41Å; V137-Q141 VanDerWaalsContact O-CG 3.29Å; V137-Q141 WeakPolarHBondContact O-CG 3.47Å; V137-Q141 PolarHBondContact O-N 3.42Å
138	S	71.4	Confident	70.5	Confident	38 Å²	38	78.5 Å²	78.5	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-33.4	178	-52.6	0	0	0	0	111.8	A134 V135 N136 A142	A134-S138 PolarHBondContact O-N 2.9Å; A134-S138 VanDerWaalsContact O-N 3.1Å; A134-S138 PolarHBondContact O-OG 3.21Å; V135-S138 PolarHBondContact O-N 2.71Å; N136-S138 VanDerWaalsContact C-N 3.31Å; N136-S138 PolarHBondContact O-N 3.27Å; S138-A142 WeakPolarHBondContact O-CB 3.22Å; S138-A142 PolarHBondContact O-N 2.79Å
139	M	70.6	Confident	69.7	Low	2 Å²	2	77.4 Å²	77.4	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-67.4	-48.9	173.1	-67.5	-175.6	80.8	0	0	113.1	Y98 F116 I117 V135 N136 V137 Q141 A142 D143	Y98-M139 HydrophobicContact CD1-CE 3.89Å; Y98-M139 HydrophobicContact CD2-CE 3.17Å; Y98-M139 HydrophobicContact CD2-SD 3.49Å; Y98-M139 WeakPolarHBondContact CD2-SD 3.35Å; Y98-M139 HydrophobicContact CE1-CE 3.81Å; Y98-M139 HydrophobicContact CE2-CB 4.4Å; Y98-M139 HydrophobicContact CE2-CE 3.1Å; Y98-M139 HydrophobicContact CE2-SD 3.91Å; Y98-M139 HydrophobicContact CG-CE 3.56Å; Y98-M139 HydrophobicContact CG-SD 4.02Å; Y98-M139 VanDerWaalsContact CZ-CE 3.42Å; F116-M139 HydrophobicContact CD1-CE 4.34Å; F116-M139 HydrophobicContact CD1-CG 3.81Å; F116-M139 HydrophobicContact CE1-CB 4.21Å; F116-M139 HydrophobicContact CE1-CG 3.61Å; I117-M139 HydrophobicContact CD1-CE 3.63Å; I117-M139 HydrophobicContact CD1-SD 4.11Å; I117-M139 HydrophobicContact CG1-CE 3.23Å; I117-M139 HydrophobicContact CG1-SD 3.45Å; I117-M139 WeakPolarHBondContact CG1-SD 3.33Å; V135-M139 HydrophobicContact CG1-SD 4.38Å; V135-M139 VanDerWaalsContact O-CG 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.46Å; V135-M139 PolarHBondContact O-N 3.05Å; N136-M139 WeakPolarHBondContact O-CB 3.43Å; N136-M139 PolarHBondContact O-N 3.16Å; V137-M139 VanDerWaalsContact C-N 3.27Å; V137-M139 PolarHBondContact O-N 3.45Å; M139-Q141 PolarHBondContact O-N 2.72Å; M139-A142 PolarHBondContact O-N 2.91Å; M139-A142 VanDerWaalsContact O-N 3.11Å; M139-D143 WeakPolarHBondContact O-CB 3.4Å; M139-D143 PolarHBondContact O-N 3.07Å
140	E	74.6	Confident	69.3	Low	125 Å²	125	77.8 Å²	77.8	58%	0.584	41%	0.406	S	S	*	.	H	α-helix	trans	-59.3	-38.9	178.2	-72.4	172.5	-172	0	0	111.2	N136 V137 T144	N136-E140 PolarHBondContact O-N 3.11Å; V137-E140 PolarHBondContact O-N 3.41Å; E140-T144 WeakPolarHBondContact O-CB 3.27Å; E140-T144 PolarHBondContact O-N 2.84Å; E140-T144 PolarHBondContact O-OG1 2.91Å
141	Q	71.5	Confident	69.2	Low	117 Å²	117	77.6 Å²	77.6	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-43.2	174.1	-71.4	174.5	-2.3	0	0	112.4	V137 M139 T144 L145	V137-Q141 VanDerWaalsContact O-CG 3.29Å; V137-Q141 WeakPolarHBondContact O-CG 3.47Å; V137-Q141 PolarHBondContact O-N 3.42Å; M139-Q141 PolarHBondContact O-N 2.72Å; Q141-T144 PolarHBondContact O-N 2.82Å; Q141-L145 VanDerWaalsContact O-CG 3.31Å; Q141-L145 WeakPolarHBondContact O-CG 3.4Å; Q141-L145 PolarHBondContact O-N 2.75Å; Q141-L145 VanDerWaalsContact O-N 3.14Å
142	A	68.8	Low	69	Low	19 Å²	19	79.6 Å²	79.6	16%	0.157	41%	0.405	C	S	.	.	H	α-helix	trans	-66.6	-38.1	177.8	0	0	0	0	0	112.4	F116 S138 M139 L145 Q146	F116-A142 HydrophobicContact CE1-CB 4.05Å; F116-A142 HydrophobicContact CE2-CB 3.75Å; F116-A142 HydrophobicContact CZ-CB 3.39Å; S138-A142 WeakPolarHBondContact O-CB 3.22Å; S138-A142 PolarHBondContact O-N 2.79Å; M139-A142 PolarHBondContact O-N 2.91Å; M139-A142 VanDerWaalsContact O-N 3.11Å; A142-L145 PolarHBondContact O-N 3.21Å; A142-Q146 WeakPolarHBondContact O-CG 3.38Å; A142-Q146 PolarHBondContact O-N 3.09Å
143	D	71.9	Confident	69	Low	44 Å²	44	80.4 Å²	80.4	24%	0.235	41%	0.413	C	S	.	.	H	α-helix	trans	-64.8	-42.4	176.1	-71.3	-6.9	0	0	0	110.6	Y98 K113 M139 L145 Q146	Y98-D143 PolarHBondContact OH-OD2 3.2Å; Y98-D143 VanDerWaalsContact OH-OD2 3.07Å; K113-D143 WeakPolarHBondContact CE-OD1 3.13Å; K113-D143 IonicContact NZ-OD1 3.26Å; K113-D143 PolarHBondContact NZ-OD1 2.92Å; M139-D143 WeakPolarHBondContact O-CB 3.4Å; M139-D143 PolarHBondContact O-N 3.07Å; D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 3.27Å; D143-Q146 PolarHBondContact O-N 3.24Å
144	T	71.1	Confident	68.8	Low	101 Å²	101	75.6 Å²	75.6	62%	0.62	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-30.2	177.2	-50.6	0	0	0	0	113.1	E140 Q141 Q146	E140-T144 WeakPolarHBondContact O-CB 3.27Å; E140-T144 PolarHBondContact O-N 2.84Å; E140-T144 PolarHBondContact O-OG1 2.91Å; Q141-T144 PolarHBondContact O-N 2.82Å; T144-Q146 VanDerWaalsContact C-N 3.35Å
145	L	64.8	Low	68.5	Low	148 Å²	148	79.3 Å²	79.3	78%	0.775	41%	0.409	S	S	*	.	H	α-helix	trans	-82.2	-13.3	178.8	-72.3	166.8	0	0	0	113.3	Q141 A142 D143	Q141-L145 VanDerWaalsContact O-CG 3.31Å; Q141-L145 WeakPolarHBondContact O-CG 3.4Å; Q141-L145 PolarHBondContact O-N 2.75Å; Q141-L145 VanDerWaalsContact O-N 3.14Å; A142-L145 PolarHBondContact O-N 3.21Å; D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 3.27Å
146	Q	58.7	Low	68.1	Low	136 Å²	136	85.8 Å²	85.8	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-94.9	-9.1	179.1	-75.3	-177.1	-20	0	0	113.3	A142 D143 T144	A142-Q146 WeakPolarHBondContact O-CG 3.38Å; A142-Q146 PolarHBondContact O-N 3.09Å; D143-Q146 PolarHBondContact O-N 3.24Å; T144-Q146 VanDerWaalsContact C-N 3.35Å
147	E	48.6	Very low	67.8	Low	228 Å²	228	90.9 Å²	90.9	100%	1.065	47%	0.468	S	S	*	.			trans	-88.6	0	170.4	-67	-173.9	167.1	0	0	112.2

Retrieved 147 of 147 residues in 1349.3 ms (Link to these results)

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