A0A093I0F4_STRCA Loading...

p53 apoptosis effector related to PMP-22

AlphaFold DB , UniProt , Accession A0A093I0F4, Species STRCA (Struthio camelus australis), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	50.1	Low	235 Å²	235	131.5 Å²	131.5	100%	1.158	66%	0.662	S	S	*	*				0	108.9	0	-70	175.9	-161.2	0	0	107.9	K3	M1-K3 PolarHBondContact O-N 3.49Å; M1-K3 VanDerWaalsContact O-N 3.13Å
2	V	32.1	Very low	52.2	Low	133 Å²	133	128.4 Å²	128.4	81%	0.806	64%	0.636	S	S	*	*			trans	-68	110.7	175.3	177.5	0	0	0	0	107.1	Y4	V2-Y4 PolarHBondContact O-N 3.22Å
3	K	40.9	Very low	54.6	Low	190 Å²	190	126.6 Å²	126.6	83%	0.826	62%	0.618	S	S	*	*	S	Bend	trans	-74.6	-1.5	-173.5	-119.4	178.7	179.4	-178.2	0	114	M1	M1-K3 PolarHBondContact O-N 3.49Å; M1-K3 VanDerWaalsContact O-N 3.13Å
4	Y	46.7	Very low	56.9	Low	208 Å²	208	123.3 Å²	123.3	82%	0.816	60%	0.603	S	S	*	*			trans	-132.7	66.8	-179.2	-56.7	-71.9	0	0	0	109.2	V2	V2-Y4 PolarHBondContact O-N 3.22Å
5	G	49.2	Very low	59	Low	64 Å²	64	116.8 Å²	116.8	66%	0.66	57%	0.572	S	S	*	*			trans	-68.6	133.7	161.3	0	0	0	0	0	108.4	D7	G5-D7 PolarHBondContact O-N 3.33Å
6	L	49.1	Very low	60.9	Low	133 Å²	133	109.7 Å²	109.7	70%	0.696	54%	0.537	S	S	*	.			trans	-55.2	110.3	174.3	-147.3	99.3	0	0	0	108.1	Y8 C11 I14	L6-Y8 PolarHBondContact O-N 3.44Å; L6-C11 HydrophobicContact CD2-CB 3.39Å; L6-C11 VanDerWaalsContact CD2-SG 3.53Å; L6-C11 HydrophobicContact CG-CB 4.19Å; L6-I14 HydrophobicContact CD2-CD1 4.44Å
7	D	52.3	Low	62.8	Low	94 Å²	94	109.8 Å²	109.8	50%	0.503	54%	0.54	S	S	.	.			trans	-65.8	103.5	178.1	-167.1	-14.5	0	0	0	108.1	G5 T9 R10 C11	G5-D7 PolarHBondContact O-N 3.33Å; D7-T9 PolarHBondContact O-N 2.87Å; D7-T9 VanDerWaalsContact O-N 3.09Å; D7-T9 PolarHBondContact OD1-OG1 3.27Å; D7-R10 PolarHBondContact O-N 3.44Å; D7-C11 PolarHBondContact O-N 3.33Å
8	Y	54.8	Low	64.5	Low	43 Å²	43	107.4 Å²	107.4	17%	0.169	53%	0.529	C	S	.	.	H	α-helix	trans	-59.4	-27.2	-168.2	-178.7	-99.7	0	0	0	112.6	L6 R10 C11 R12 F98 L169 I176	L6-Y8 PolarHBondContact O-N 3.44Å; Y8-R10 PolarHBondContact O-N 3.22Å; Y8-C11 PolarHBondContact O-N 3.15Å; Y8-R12 PolarHBondContact O-N 3.45Å; Y8-R12 VanDerWaalsContact O-N 3.11Å; Y8-F98 WeakPolarHBondContact OH-CE1 3.5Å; Y8-L169 HydrophobicContact CE2-CD1 4.36Å; Y8-L169 HydrophobicContact CE2-CD2 4.23Å; Y8-I176 HydrophobicContact CD1-CG2 3.65Å; Y8-I176 HydrophobicContact CD2-CG2 3.8Å; Y8-I176 HydrophobicContact CE1-CG2 4.36Å; Y8-I176 HydrophobicContact CE2-CG2 4.47Å; Y8-I176 HydrophobicContact CG-CG2 3.33Å
9	T	58.2	Low	66	Low	98 Å²	98	101.8 Å²	101.8	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-61.3	-32.7	174.9	61.7	0	0	0	0	112.8	D7	D7-T9 PolarHBondContact O-N 2.87Å; D7-T9 VanDerWaalsContact O-N 3.09Å; D7-T9 PolarHBondContact OD1-OG1 3.27Å
10	R	61.3	Low	67.5	Low	214 Å²	214	97.3 Å²	97.3	81%	0.808	48%	0.483	S	S	*	.	H	α-helix	trans	-87.6	-23.7	-178.6	-135.8	-179.1	-82.2	-160.5	-4	112.7	D7 Y8	D7-R10 PolarHBondContact O-N 3.44Å; Y8-R10 PolarHBondContact O-N 3.22Å
11	C	68.4	Low	68.9	Low	35 Å²	35	96.1 Å²	96.1	24%	0.236	48%	0.477	C	S	.	.	H	α-helix	trans	-110.9	10.7	-174	-71.9	0	0	0	0	115.1	L6 D7 Y8 W13 I14	L6-C11 HydrophobicContact CD2-CB 3.39Å; L6-C11 VanDerWaalsContact CD2-SG 3.53Å; L6-C11 HydrophobicContact CG-CB 4.19Å; D7-C11 PolarHBondContact O-N 3.33Å; Y8-C11 PolarHBondContact O-N 3.15Å; C11-W13 PolarHBondContact O-N 3.45Å; C11-I14 HydrophobicContact CB-CD1 3.62Å; C11-I14 HydrophobicContact CB-CG1 4.14Å; C11-I14 WeakPolarHBondContact O-CG1 3.39Å; C11-I14 PolarHBondContact O-N 3.12Å
12	R	75.5	Confident	71.6	Confident	94 Å²	94	85 Å²	85	36%	0.355	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.4	-178.9	65.5	174	150.8	179.1	-5.8	115.2	Y8 F98	Y8-R12 PolarHBondContact O-N 3.45Å; Y8-R12 VanDerWaalsContact O-N 3.11Å; R12-F98 HydrophobicContact CB-CD1 4.38Å; R12-F98 WeakPolarHBondContact O-CD1 3.14Å
13	W	82.9	Confident	74.7	Confident	105 Å²	105	79.6 Å²	79.6	40%	0.398	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.6	-176.8	-65.6	108.2	0	0	0	114.3	C11 L15 P16 L17 A99	C11-W13 PolarHBondContact O-N 3.45Å; W13-L15 PolarHBondContact O-N 3.29Å; W13-P16 HydrophobicContact CE3-CB 4.4Å; W13-P16 HydrophobicContact CE3-CG 4.37Å; W13-P16 WeakPolarHBondContact O-CD 3.42Å; W13-L17 HydrophobicContact CB-CD1 4.04Å; W13-L17 HydrophobicContact CB-CG 4.4Å; W13-L17 VanDerWaalsContact O-CB 3.25Å; W13-L17 WeakPolarHBondContact O-CB 3.31Å; W13-L17 WeakPolarHBondContact O-CD1 3.35Å; W13-L17 WeakPolarHBondContact O-CG 3.29Å; W13-L17 PolarHBondContact O-N 3.25Å; W13-A99 HydrophobicContact CH2-CB 4.49Å
14	I	87.2	Confident	77.4	Confident	80 Å²	80	75 Å²	75	41%	0.41	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-45.8	-176.1	-68.5	-177.8	0	0	0	111.2	L6 C11 L17 L18	L6-I14 HydrophobicContact CD2-CD1 4.44Å; C11-I14 HydrophobicContact CB-CD1 3.62Å; C11-I14 HydrophobicContact CB-CG1 4.14Å; C11-I14 WeakPolarHBondContact O-CG1 3.39Å; C11-I14 PolarHBondContact O-N 3.12Å; I14-L17 PolarHBondContact O-N 3.02Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.42Å; I14-L18 WeakPolarHBondContact O-CB 3.15Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.26Å; I14-L18 PolarHBondContact O-N 3.45Å
15	L	88	Confident	79.8	Confident	26 Å²	26	67.6 Å²	67.6	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-48.7	-177.9	-65.8	173.7	0	0	0	112.6	W13 L17 L18 L19 F98 L162 F165 F166 L169	W13-L15 PolarHBondContact O-N 3.29Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 2.74Å; L15-L19 PolarHBondContact O-N 3.48Å; L15-F98 HydrophobicContact CB-CZ 4.5Å; L15-F98 HydrophobicContact CD1-CZ 4.07Å; L15-L162 HydrophobicContact CD2-CD2 4.02Å; L15-F165 HydrophobicContact CD2-CB 4.21Å; L15-F166 HydrophobicContact CB-CE1 3.87Å; L15-F166 HydrophobicContact CB-CZ 3.69Å; L15-F166 HydrophobicContact CD1-CD1 4.37Å; L15-F166 HydrophobicContact CD1-CE1 3.99Å; L15-F166 HydrophobicContact CD1-CZ 4.5Å; L15-L169 HydrophobicContact CD1-CD2 3.83Å
16	P	89.7	Confident	81.9	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.019	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-39.7	171.2	-25.8	33.1	0	0	0	113.9	W13 L19 G20 F91 A94 F98	W13-P16 HydrophobicContact CE3-CB 4.4Å; W13-P16 HydrophobicContact CE3-CG 4.37Å; W13-P16 WeakPolarHBondContact O-CD 3.42Å; P16-L19 WeakPolarHBondContact O-CB 3.04Å; P16-L19 PolarHBondContact O-N 3.43Å; P16-G20 PolarHBondContact O-N 3.4Å; P16-F91 VanDerWaalsContact O-CE2 3.32Å; P16-F91 WeakPolarHBondContact O-CE2 3.45Å; P16-A94 HydrophobicContact CG-CB 4.43Å; P16-F98 HydrophobicContact CG-CB 4.09Å; P16-F98 HydrophobicContact CG-CD2 3.9Å; P16-F98 HydrophobicContact CG-CE2 4.49Å; P16-F98 HydrophobicContact CG-CG 3.91Å
17	L	92.2	Very high	84.2	Confident	112 Å²	112	62.5 Å²	62.5	59%	0.586	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-40	178.4	-74.8	169.4	0	0	0	111.9	W13 I14 L15 G20 I21	W13-L17 HydrophobicContact CB-CD1 4.04Å; W13-L17 HydrophobicContact CB-CG 4.4Å; W13-L17 VanDerWaalsContact O-CB 3.25Å; W13-L17 WeakPolarHBondContact O-CB 3.31Å; W13-L17 WeakPolarHBondContact O-CD1 3.35Å; W13-L17 WeakPolarHBondContact O-CG 3.29Å; W13-L17 PolarHBondContact O-N 3.25Å; I14-L17 PolarHBondContact O-N 3.02Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 2.93Å; L17-G20 PolarHBondContact O-N 3.05Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.27Å
18	L	93.7	Very high	86.2	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-42.2	173.5	-73.4	170.4	0	0	0	111.3	I14 L15 G20 I21 G22 M158 L162	I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.42Å; I14-L18 WeakPolarHBondContact O-CB 3.15Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.26Å; I14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 2.74Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 2.94Å; L18-I21 PolarHBondContact O-N 3.26Å; L18-G22 PolarHBondContact O-N 3.06Å; L18-M158 HydrophobicContact CB-CE 4.4Å; L18-M158 WeakPolarHBondContact O-CE 3.49Å; L18-L162 HydrophobicContact CB-CD1 4.13Å; L18-L162 HydrophobicContact CB-CD2 3.93Å; L18-L162 HydrophobicContact CD1-CD2 4.12Å
19	L	94.1	Very high	88.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-41.3	171.6	-79.3	174.8	0	0	0	112	L15 P16 I21 G22 V23 L87 F91 A94 L115 L162 F166	L15-L19 PolarHBondContact O-N 3.48Å; P16-L19 WeakPolarHBondContact O-CB 3.04Å; P16-L19 PolarHBondContact O-N 3.43Å; L19-I21 VanDerWaalsContact C-N 3.35Å; L19-I21 PolarHBondContact O-N 3.13Å; L19-G22 CarbonylContact O-C 3.58Å; L19-G22 WeakPolarHBondContact O-CA 3.05Å; L19-G22 PolarHBondContact O-N 3.42Å; L19-G22 VanDerWaalsContact O-N 3.1Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.07Å; L19-L87 HydrophobicContact CD2-CD1 3.77Å; L19-F91 HydrophobicContact CB-CB 4.32Å; L19-F91 HydrophobicContact CB-CD2 3.83Å; L19-A94 HydrophobicContact CD1-CB 3.51Å; L19-L115 HydrophobicContact CD2-CD1 4.02Å; L19-L115 HydrophobicContact CD2-CD2 3.71Å; L19-L162 HydrophobicContact CD2-CB 4.41Å; L19-L162 HydrophobicContact CD2-CD1 3.64Å; L19-L162 HydrophobicContact CG-CD1 3.91Å; L19-F166 HydrophobicContact CD1-CE2 3.55Å; L19-F166 HydrophobicContact CD1-CZ 3.66Å; L19-F166 HydrophobicContact CD2-CE2 4.44Å; L19-F166 HydrophobicContact CG-CE2 3.99Å; L19-F166 HydrophobicContact CG-CZ 4.34Å
20	G	95.2	Very high	89.9	Confident	12 Å²	12	55 Å²	55	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-40.9	175.8	0	0	0	0	0	113	P16 L17 L18 G22 V23 I24 F91	P16-G20 PolarHBondContact O-N 3.4Å; L17-G20 PolarHBondContact O-N 3.05Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 2.94Å; G20-G22 VanDerWaalsContact C-N 3.33Å; G20-V23 WeakPolarHBondContact O-CB 3.49Å; G20-V23 PolarHBondContact O-N 3.38Å; G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 3.14Å; G20-F91 VanDerWaalsContact CA-CE2 3.47Å
21	I	96.4	Very high	91.4	Very high	72 Å²	72	48.5 Å²	48.5	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-42.2	172.2	-67.9	168.6	0	0	0	110.6	L17 L18 L19 V23 I24 F25 M158	L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.27Å; L18-I21 PolarHBondContact O-N 3.26Å; L19-I21 VanDerWaalsContact C-N 3.35Å; L19-I21 PolarHBondContact O-N 3.13Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.11Å; I21-I24 WeakPolarHBondContact O-CB 3.15Å; I21-I24 PolarHBondContact O-N 3.23Å; I21-I24 VanDerWaalsContact O-N 3.14Å; I21-F25 HydrophobicContact CG2-CD2 3.92Å; I21-F25 HydrophobicContact CG2-CE1 4.17Å; I21-F25 HydrophobicContact CG2-CE2 3.4Å; I21-F25 VanDerWaalsContact CG2-CE2 3.4Å; I21-F25 HydrophobicContact CG2-CZ 3.55Å; I21-F25 WeakPolarHBondContact O-CG 3.01Å; I21-F25 PolarHBondContact O-N 3.46Å; I21-M158 HydrophobicContact CB-CE 4.42Å; I21-M158 HydrophobicContact CG2-CE 4.39Å
22	G	96	Very high	92.4	Very high	2 Å²	2	47 Å²	47	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-42.3	173.8	0	0	0	0	0	112.4	L18 L19 G20 I24 F25 G26	L18-G22 PolarHBondContact O-N 3.06Å; L19-G22 CarbonylContact O-C 3.58Å; L19-G22 WeakPolarHBondContact O-CA 3.05Å; L19-G22 PolarHBondContact O-N 3.42Å; L19-G22 VanDerWaalsContact O-N 3.1Å; G20-G22 VanDerWaalsContact C-N 3.33Å; G22-I24 PolarHBondContact O-N 3.18Å; G22-F25 PolarHBondContact O-N 3.32Å; G22-G26 PolarHBondContact O-N 3.23Å
23	V	97.1	Very high	92.9	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-44.3	174.5	172.4	0	0	0	0	111	L19 G20 I21 F25 G26 I27 F84 L87 V88 F91	L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.07Å; G20-V23 WeakPolarHBondContact O-CB 3.49Å; G20-V23 PolarHBondContact O-N 3.38Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.11Å; V23-F25 PolarHBondContact O-N 3.23Å; V23-G26 PolarHBondContact O-N 2.87Å; V23-I27 HydrophobicContact CG1-CD1 4.08Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.26Å; V23-F84 HydrophobicContact CG1-CE2 4.17Å; V23-F84 HydrophobicContact CG1-CZ 4.14Å; V23-F84 WeakPolarHBondContact O-CE2 3.12Å; V23-L87 HydrophobicContact CG2-CD2 4.28Å; V23-L87 HydrophobicContact CG2-CG 4.01Å; V23-V88 HydrophobicContact CG1-CG2 4.12Å; V23-V88 HydrophobicContact CG2-CG2 4.26Å; V23-F91 HydrophobicContact CG2-CB 3.96Å; V23-F91 HydrophobicContact CG2-CD1 4.37Å; V23-F91 HydrophobicContact CG2-CG 4.18Å
24	I	97.1	Very high	93	Very high	95 Å²	95	44.3 Å²	44.3	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-46.2	177.7	-66.7	166.1	0	0	0	110.6	G20 I21 G22 G26 I27 I28	G20-I24 WeakPolarHBondContact O-CG1 3.3Å; G20-I24 PolarHBondContact O-N 3.14Å; I21-I24 WeakPolarHBondContact O-CB 3.15Å; I21-I24 PolarHBondContact O-N 3.23Å; I21-I24 VanDerWaalsContact O-N 3.14Å; G22-I24 PolarHBondContact O-N 3.18Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.22Å; I24-I27 PolarHBondContact O-N 2.85Å; I24-I28 HydrophobicContact CG2-CD1 3.88Å; I24-I28 HydrophobicContact CG2-CG1 4.49Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.42Å; I24-I28 PolarHBondContact O-N 2.85Å
25	F	96.6	Very high	93.2	Very high	52 Å²	52	40.5 Å²	40.5	23%	0.228	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-37.8	176.5	-65.2	-20.2	0	0	0	112.5	I21 G22 V23 I27 I28 A29 F151 T154 T155 M158	I21-F25 HydrophobicContact CG2-CD2 3.92Å; I21-F25 HydrophobicContact CG2-CE1 4.17Å; I21-F25 HydrophobicContact CG2-CE2 3.4Å; I21-F25 VanDerWaalsContact CG2-CE2 3.4Å; I21-F25 HydrophobicContact CG2-CZ 3.55Å; I21-F25 WeakPolarHBondContact O-CG 3.01Å; I21-F25 PolarHBondContact O-N 3.46Å; G22-F25 PolarHBondContact O-N 3.32Å; V23-F25 PolarHBondContact O-N 3.23Å; F25-I27 PolarHBondContact O-N 3.47Å; F25-I28 HydrophobicContact CD1-CD1 4.39Å; F25-I28 PolarHBondContact O-N 2.99Å; F25-A29 WeakPolarHBondContact O-CB 3.33Å; F25-A29 PolarHBondContact O-N 3.06Å; F25-F151 HydrophobicContact CB-CD1 3.99Å; F25-F151 AromaticContact CD1-CD1 3.5Å; F25-F151 HydrophobicContact CD1-CD1 3.5Å; F25-F151 AromaticContact CD1-CE1 3.51Å; F25-F151 HydrophobicContact CD1-CE1 3.51Å; F25-F151 HydrophobicContact CD2-CD1 4.47Å; F25-F151 HydrophobicContact CE1-CD1 4.06Å; F25-F151 AromaticContact CE1-CE1 3.62Å; F25-F151 HydrophobicContact CE1-CE1 3.62Å; F25-F151 AromaticContact CG-CD1 3.74Å; F25-F151 HydrophobicContact CG-CD1 3.74Å; F25-F151 HydrophobicContact CG-CE1 4.18Å; F25-F151 HydrophobicContact CZ-CE1 4.34Å; F25-T154 HydrophobicContact CD2-CG2 3.8Å; F25-T154 HydrophobicContact CE2-CG2 3.96Å; F25-T155 WeakPolarHBondContact CB-OG1 3.47Å; F25-M158 HydrophobicContact CD2-SD 3.99Å; F25-M158 HydrophobicContact CE2-SD 4.14Å
26	G	94.9	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-42.2	173.3	0	0	0	0	0	113	G22 V23 I24 A29 L30 T155	G22-G26 PolarHBondContact O-N 3.23Å; V23-G26 PolarHBondContact O-N 2.87Å; I24-G26 VanDerWaalsContact C-N 3.32Å; I24-G26 PolarHBondContact O-N 3.22Å; G26-A29 PolarHBondContact O-N 2.92Å; G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.47Å; G26-T155 PolarHBondContact N-OG1 3.35Å
27	I	96.1	Very high	93.2	Very high	89 Å²	89	41 Å²	41	46%	0.456	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-46.2	175.1	-65.3	168	0	0	0	110.5	V23 I24 F25 A29 L30 A31 F84	V23-I27 HydrophobicContact CG1-CD1 4.08Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 3.26Å; I24-I27 PolarHBondContact O-N 2.85Å; F25-I27 PolarHBondContact O-N 3.47Å; I27-A29 VanDerWaalsContact C-N 3.28Å; I27-A29 PolarHBondContact O-N 3.01Å; I27-L30 PolarHBondContact O-N 3.23Å; I27-A31 WeakPolarHBondContact O-CB 3.38Å; I27-A31 PolarHBondContact O-N 3.16Å; I27-F84 HydrophobicContact CD1-CZ 4.3Å; I27-F84 HydrophobicContact CG1-CE1 4.41Å; I27-F84 HydrophobicContact CG1-CE2 3.99Å; I27-F84 HydrophobicContact CG1-CZ 3.47Å; I27-F84 VanDerWaalsContact CG1-CZ 3.47Å
28	I	95.5	Very high	92.7	Very high	55 Å²	55	35.8 Å²	35.8	28%	0.282	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-40.9	178.2	-69	171.3	0	0	0	110.5	I24 F25 G32 W147 F151	I24-I28 HydrophobicContact CG2-CD1 3.88Å; I24-I28 HydrophobicContact CG2-CG1 4.49Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.42Å; I24-I28 PolarHBondContact O-N 2.85Å; F25-I28 HydrophobicContact CD1-CD1 4.39Å; F25-I28 PolarHBondContact O-N 2.99Å; I28-G32 VanDerWaalsContact O-CA 3.25Å; I28-G32 WeakPolarHBondContact O-CA 3.37Å; I28-G32 PolarHBondContact O-N 3.39Å; I28-W147 HydrophobicContact CG2-CE3 4.16Å; I28-W147 HydrophobicContact CG2-CZ3 3.59Å; I28-F151 HydrophobicContact CG2-CB 4.39Å; I28-F151 HydrophobicContact CG2-CD2 3.57Å; I28-F151 HydrophobicContact CG2-CE2 3.89Å; I28-F151 HydrophobicContact CG2-CG 3.91Å; I28-F151 HydrophobicContact CG2-CZ 4.49Å
29	A	94.8	Very high	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-46.4	174.4	0	0	0	0	0	111.7	F25 G26 I27 A31 W35 Y80 F151	F25-A29 WeakPolarHBondContact O-CB 3.33Å; F25-A29 PolarHBondContact O-N 3.06Å; G26-A29 PolarHBondContact O-N 2.92Å; I27-A29 VanDerWaalsContact C-N 3.28Å; I27-A29 PolarHBondContact O-N 3.01Å; A29-A31 PolarHBondContact O-N 3.37Å; A29-W35 HydrophobicContact CB-CZ2 4.35Å; A29-W35 PolarHBondContact O-NE1 3.32Å; A29-Y80 HydrophobicContact CB-CE1 4.22Å; A29-Y80 VanDerWaalsContact CB-OH 3.3Å; A29-Y80 WeakPolarHBondContact CB-OH 3.44Å; A29-F151 HydrophobicContact CB-CB 4.28Å
30	L	94.4	Very high	90.7	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-40.4	179.9	-78.4	170.6	0	0	0	113.6	G26 I27 L49 W50 Y80 F84	G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.47Å; I27-L30 PolarHBondContact O-N 3.23Å; L30-L49 HydrophobicContact CD2-CD2 4.04Å; L30-W50 HydrophobicContact CD2-CZ2 4.13Å; L30-W50 PolarHBondContact O-NE1 3.39Å; L30-Y80 HydrophobicContact CD2-CD1 3.62Å; L30-Y80 HydrophobicContact CD2-CE1 3.93Å; L30-Y80 HydrophobicContact CG-CD1 4.13Å; L30-Y80 HydrophobicContact CG-CE1 3.92Å; L30-F84 HydrophobicContact CD1-CB 4.1Å; L30-F84 HydrophobicContact CD1-CD1 3.41Å; L30-F84 VanDerWaalsContact CD1-CD1 3.41Å; L30-F84 HydrophobicContact CD1-CD2 4.24Å; L30-F84 HydrophobicContact CD1-CE1 3.87Å; L30-F84 HydrophobicContact CD1-CG 3.63Å; L30-F84 HydrophobicContact CD1-CZ 4.46Å
31	A	93.7	Very high	89.1	Confident	78 Å²	78	47.2 Å²	47.2	65%	0.645	25%	0.246	S	C	*	.	H	α-helix	trans	-89.3	-17	-177.5	0	0	0	0	0	113.1	I27 A29	I27-A31 WeakPolarHBondContact O-CB 3.38Å; I27-A31 PolarHBondContact O-N 3.16Å; A29-A31 PolarHBondContact O-N 3.37Å
32	G	89.4	Confident	87.5	Confident	4 Å²	4	46.6 Å²	46.6	4%	0.041	25%	0.247	C	C	.	.			trans	-70.4	132.6	-173	0	0	0	0	0	113.2	I28 G34 W35 W147	I28-G32 VanDerWaalsContact O-CA 3.25Å; I28-G32 WeakPolarHBondContact O-CA 3.37Å; I28-G32 PolarHBondContact O-N 3.39Å; G32-G34 VanDerWaalsContact C-N 3.3Å; G32-W35 VanDerWaalsContact O-CD1 3.32Å; G32-W147 VanDerWaalsContact CA-CH2 3.45Å
33	R	84.9	Confident	86.3	Confident	141 Å²	141	52 Å²	52	53%	0.532	27%	0.268	S	S	.	.	S	Bend	trans	-83	-5.6	174.2	-64.3	-175.8	178.8	-116.9	-11	114.1	W35 A47 E51	R33-W35 PolarHBondContact O-N 3.39Å; R33-A47 CarbonylContact O-C 3.52Å; R33-A47 VanDerWaalsContact O-C 3.27Å; R33-E51 IonicContact CZ-OE1 3.06Å; R33-E51 IonicContact NE-OE1 3.99Å; R33-E51 IonicContact NH1-OE1 2.72Å; R33-E51 PolarHBondContact NH1-OE1 3.31Å; R33-E51 IonicContact NH2-OE1 3.07Å; R33-E51 PolarHBondContact NH2-OE1 3.43Å
34	G	86.8	Confident	85.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.			trans	-98	42.9	-176.6	0	0	0	0	0	113.8	G32 S146 W147 A148	G32-G34 VanDerWaalsContact C-N 3.3Å; G34-S146 CarbonylContact O-C 3.55Å; G34-S146 VanDerWaalsContact O-C 3.25Å; G34-S146 WeakPolarHBondContact O-CB 3.26Å; G34-W147 PolarHBondContact O-N 3.01Å; G34-A148 VanDerWaalsContact C-CB 3.5Å; G34-A148 WeakPolarHBondContact O-CB 3.02Å; G34-A148 PolarHBondContact O-N 3.46Å
35	W	90.4	Very high	84.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-70.2	-41.7	169.8	-81.3	64.8	0	0	0	109.9	A29 G32 R33 A47 L49 Y80 L126 Y129 F145 S146 A148 Y149	A29-W35 HydrophobicContact CB-CZ2 4.35Å; A29-W35 PolarHBondContact O-NE1 3.32Å; G32-W35 VanDerWaalsContact O-CD1 3.32Å; R33-W35 PolarHBondContact O-N 3.39Å; W35-A47 WeakPolarHBondContact CA-O 3.48Å; W35-A47 VanDerWaalsContact CB-O 3.3Å; W35-A47 WeakPolarHBondContact CB-O 3.37Å; W35-A47 PolarHBondContact N-O 2.84Å; W35-L49 HydrophobicContact CD2-CB 4.47Å; W35-L49 HydrophobicContact CD2-CD1 4.37Å; W35-L49 HydrophobicContact CE3-CD1 4.18Å; W35-L49 HydrophobicContact CH2-CD1 3.83Å; W35-L49 HydrophobicContact CZ2-CB 4.35Å; W35-L49 HydrophobicContact CZ2-CD1 4Å; W35-L49 HydrophobicContact CZ2-CD2 4.19Å; W35-L49 HydrophobicContact CZ2-CG 4.43Å; W35-L49 HydrophobicContact CZ3-CD1 3.91Å; W35-Y80 HydrophobicContact CH2-CD2 4.31Å; W35-Y80 HydrophobicContact CH2-CE2 4.34Å; W35-Y80 HydrophobicContact CH2-CG 4.48Å; W35-Y80 HydrophobicContact CZ2-CE1 4.45Å; W35-L126 HydrophobicContact CH2-CD2 4.11Å; W35-L126 HydrophobicContact CZ3-CD2 4.11Å; W35-Y129 HydrophobicContact CB-CE1 3.88Å; W35-Y129 HydrophobicContact CD2-CE1 4.47Å; W35-Y129 AromaticContact CE3-CD1 3.66Å; W35-Y129 HydrophobicContact CE3-CD1 3.66Å; W35-Y129 HydrophobicContact CE3-CD2 4.32Å; W35-Y129 AromaticContact CE3-CE1 3.86Å; W35-Y129 HydrophobicContact CE3-CE1 3.86Å; W35-Y129 HydrophobicContact CE3-CE2 4.48Å; W35-Y129 AromaticContact CE3-CG 3.91Å; W35-Y129 HydrophobicContact CE3-CG 3.91Å; W35-Y129 HydrophobicContact CZ3-CD1 4.25Å; W35-Y129 HydrophobicContact CZ3-CG 4.17Å; W35-F145 VanDerWaalsContact O-CA 3.31Å; W35-F145 WeakPolarHBondContact O-CA 3.46Å; W35-F145 WeakPolarHBondContact O-CD1 3.36Å; W35-S146 PolarHBondContact O-N 2.9Å; W35-A148 HydrophobicContact CG-CB 4.39Å; W35-Y149 AromaticContact CE3-CD2 3.68Å; W35-Y149 HydrophobicContact CE3-CD2 3.68Å; W35-Y149 AromaticContact CZ3-CD2 3.79Å; W35-Y149 HydrophobicContact CZ3-CD2 3.79Å; W35-Y149 HydrophobicContact CZ3-CE2 4.36Å
36	L	88.9	Confident	84.3	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.2	173.7	177.5	150.6	0	0	0	109.5	Q46 A47 F133 M139 N143 M144 F145	L36-Q46 CarbonylContact O-C 3.59Å; L36-Q46 WeakPolarHBondContact O-CA 3.26Å; L36-A47 HydrophobicContact CB-CB 4.25Å; L36-A47 HydrophobicContact CD2-CB 4.47Å; L36-A47 PolarHBondContact N-O 3.22Å; L36-A47 VanDerWaalsContact N-O 3.08Å; L36-A47 PolarHBondContact O-N 3.11Å; L36-F133 HydrophobicContact CD1-CD1 3.77Å; L36-F133 HydrophobicContact CD1-CE1 3.61Å; L36-F133 HydrophobicContact CD1-CZ 4.32Å; L36-F133 HydrophobicContact CD2-CE1 4.1Å; L36-F133 HydrophobicContact CD2-CZ 4.29Å; L36-F133 HydrophobicContact CG-CE1 4.44Å; L36-M139 HydrophobicContact CD1-SD 4.33Å; L36-N143 HydrophobicContact CD1-CB 4.34Å; L36-N143 HydrophobicContact CD2-CB 3.97Å; L36-N143 HydrophobicContact CG-CB 4.2Å; L36-M144 WeakPolarHBondContact CA-O 3.26Å; L36-F145 HydrophobicContact CB-CD1 4.32Å; L36-F145 HydrophobicContact CB-CE1 4.47Å; L36-F145 HydrophobicContact CD1-CD1 4.39Å; L36-F145 HydrophobicContact CD1-CE1 3.92Å; L36-F145 HydrophobicContact CD1-CZ 4.23Å
37	E	88.2	Confident	84	Confident	35 Å²	35	49.1 Å²	49.1	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.1	178.3	-62.1	-172.1	128.8	0	0	110.1	H45 Q46 M144 S146	E37-H45 CarbonylContact C-O 3.27Å; E37-H45 WeakPolarHBondContact CA-O 3.48Å; E37-Q46 HydrophobicContact CG-CG 4.24Å; E37-Q46 PolarHBondContact OE1-NE2 3.33Å; E37-M144 PolarHBondContact N-O 3.36Å; E37-M144 WeakPolarHBondContact O-CG 3.2Å; E37-M144 PolarHBondContact O-N 3.04Å; E37-M144 VanDerWaalsContact O-O 3.12Å; E37-S146 VanDerWaalsContact OE2-CB 3.26Å; E37-S146 WeakPolarHBondContact OE2-CB 3.3Å; E37-S146 PolarHBondContact OE2-OG 3.07Å
38	S	83	Confident	83.8	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.3	170.5	47.4	0	0	0	0	110.8	Y43 V44 H45 N143	S38-Y43 VanDerWaalsContact O-CD1 3.29Å; S38-Y43 WeakPolarHBondContact O-CD1 3.08Å; S38-Y43 WeakPolarHBondContact OG-CA 3.34Å; S38-V44 PolarHBondContact OG-N 3.02Å; S38-H45 PolarHBondContact N-O 2.92Å; S38-H45 PolarHBondContact OG-N 3.33Å; S38-H45 PolarHBondContact OG-O 3.09Å; S38-N143 WeakPolarHBondContact CA-OD1 3.23Å
39	Q	75.9	Confident	83.5	Confident	109 Å²	109	42.7 Å²	42.7	51%	0.509	22%	0.221	S	C	.	.			trans	-84.3	-28.1	-174.9	-173.3	176.1	-11.5	0	0	113.4	I142 M144	Q39-I142 HydrophobicContact CB-CB 4.42Å; Q39-I142 HydrophobicContact CB-CG2 3.96Å; Q39-I142 PolarHBondContact N-O 3.48Å; Q39-M144 HydrophobicContact CB-CB 4.4Å; Q39-M144 HydrophobicContact CB-CG 4.05Å; Q39-M144 HydrophobicContact CB-SD 3.94Å; Q39-M144 HydrophobicContact CG-CG 4.48Å; Q39-M144 HydrophobicContact CG-SD 3.77Å
40	T	68.8	Low	83.5	Confident	69 Å²	69	47.2 Å²	47.2	42%	0.423	24%	0.238	S	C	.	.	S	Bend	trans	-110.4	149.2	-175.3	54.8	0	0	0	0	112.4	P42 I142	T40-P42 CarbonylContact O-C 3.25Å; T40-P42 VanDerWaalsContact O-C 3.25Å; T40-P42 VanDerWaalsContact O-O 3.14Å; T40-I142 HydrophobicContact CG2-CD1 4.15Å
41	L	61.2	Low	83.4	Confident	140 Å²	140	48.7 Å²	48.7	73%	0.733	25%	0.245	S	C	*	.	S	Bend	trans	-64.7	139.7	169.9	-75.2	100.3	0	0	0	110.3	Y43	L41-Y43 HydrophobicContact CG-CE2 4.1Å
42	P	63.6	Low	83.2	Confident	59 Å²	59	45.3 Å²	45.3	38%	0.383	22%	0.216	S	C	.	.	S	Bend	cis	-76.5	138.9	-5.4	29.5	-31.6	0	0	0	112.2	T40 V44 A58	T40-P42 CarbonylContact O-C 3.25Å; T40-P42 VanDerWaalsContact O-C 3.25Å; T40-P42 VanDerWaalsContact O-O 3.14Å; P42-V44 VanDerWaalsContact C-N 3.27Å; P42-V44 HydrophobicContact CB-CG1 4.03Å; P42-V44 HydrophobicContact CG-CG1 3.78Å; P42-V44 WeakPolarHBondContact O-CG1 3.27Å; P42-V44 WeakPolarHBondContact O-CG2 3.49Å; P42-V44 PolarHBondContact O-N 3.28Å; P42-A58 HydrophobicContact CB-CB 4.06Å
43	Y	71.5	Confident	83.1	Confident	116 Å²	116	45.5 Å²	45.5	46%	0.455	22%	0.217	S	C	.	.			trans	-63.9	77.4	176.5	-60.9	-70.8	0	0	0	112.9	S38 L41 R55	S38-Y43 VanDerWaalsContact O-CD1 3.29Å; S38-Y43 WeakPolarHBondContact O-CD1 3.08Å; S38-Y43 WeakPolarHBondContact OG-CA 3.34Å; L41-Y43 HydrophobicContact CG-CE2 4.1Å; Y43-R55 VanDerWaalsContact C-NH2 3.34Å; Y43-R55 PolarHBondContact O-NE 3.32Å; Y43-R55 PolarHBondContact O-NH2 3.31Å
44	V	78.4	Confident	83.2	Confident	28 Å²	28	42.2 Å²	42.2	17%	0.17	20%	0.204	C	C	.	.			trans	-89.7	-10.2	-166.9	-74.5	0	0	0	0	114.4	S38 P42 R54 R55	S38-V44 PolarHBondContact OG-N 3.02Å; P42-V44 VanDerWaalsContact C-N 3.27Å; P42-V44 HydrophobicContact CB-CG1 4.03Å; P42-V44 HydrophobicContact CG-CG1 3.78Å; P42-V44 WeakPolarHBondContact O-CG1 3.27Å; P42-V44 WeakPolarHBondContact O-CG2 3.49Å; P42-V44 PolarHBondContact O-N 3.28Å; V44-R54 CarbonylContact O-C 3.53Å; V44-R54 VanDerWaalsContact O-CA 3.31Å; V44-R54 WeakPolarHBondContact O-CA 3.47Å; V44-R55 HydrophobicContact CB-CG 4.1Å; V44-R55 WeakPolarHBondContact CB-O 3.2Å; V44-R55 HydrophobicContact CG1-CG 4.01Å; V44-R55 WeakPolarHBondContact CG1-O 3.42Å; V44-R55 PolarHBondContact O-N 3.43Å
45	H	83.1	Confident	83.1	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.7	-176.2	-69.3	-70.5	0	0	0	112	E37 S38 R54 T140	E37-H45 CarbonylContact C-O 3.27Å; E37-H45 WeakPolarHBondContact CA-O 3.48Å; S38-H45 PolarHBondContact N-O 2.92Å; S38-H45 PolarHBondContact OG-N 3.33Å; S38-H45 PolarHBondContact OG-O 3.09Å; H45-R54 VanDerWaalsContact ND1-CG 3.33Å; H45-R54 WeakPolarHBondContact ND1-CG 3.34Å; H45-T140 PolarHBondContact CD2-O 2.95Å; H45-T140 PolarHBondContact CE1-OG1 2.99Å; H45-T140 PolarHBondContact NE2-OG1 2.71Å
46	Q	87	Confident	82.3	Confident	65 Å²	65	49.1 Å²	49.1	30%	0.304	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.4	168	-69	-172.4	-45.9	0	0	108.6	L36 E37 C53 W62	L36-Q46 CarbonylContact O-C 3.59Å; L36-Q46 WeakPolarHBondContact O-CA 3.26Å; E37-Q46 HydrophobicContact CG-CG 4.24Å; E37-Q46 PolarHBondContact OE1-NE2 3.33Å; Q46-C53 PolarHBondContact N-O 3.28Å; Q46-C53 WeakPolarHBondContact O-CA 3.46Å; Q46-C53 PolarHBondContact O-N 3.04Å; Q46-W62 HydrophobicContact CB-CZ3 4.31Å; Q46-W62 HydrophobicContact CG-CH2 4.03Å; Q46-W62 HydrophobicContact CG-CZ3 4.26Å
47	A	88.3	Confident	81.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.1	177.2	0	0	0	0	0	111	R33 W35 L36 F133	R33-A47 CarbonylContact O-C 3.52Å; R33-A47 VanDerWaalsContact O-C 3.27Å; W35-A47 WeakPolarHBondContact CA-O 3.48Å; W35-A47 VanDerWaalsContact CB-O 3.3Å; W35-A47 WeakPolarHBondContact CB-O 3.37Å; W35-A47 PolarHBondContact N-O 2.84Å; L36-A47 HydrophobicContact CB-CB 4.25Å; L36-A47 HydrophobicContact CD2-CB 4.47Å; L36-A47 PolarHBondContact N-O 3.22Å; L36-A47 VanDerWaalsContact N-O 3.08Å; L36-A47 PolarHBondContact O-N 3.11Å; A47-F133 HydrophobicContact CB-CE2 3.73Å; A47-F133 HydrophobicContact CB-CZ 3.76Å
48	S	91.8	Very high	80.3	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.049	29%	0.287	C	S	.	.			trans	-101.6	176.5	168.9	70.4	0	0	0	0	109.7	W50 E51 Y129	S48-W50 PolarHBondContact O-N 3.25Å; S48-W50 PolarHBondContact OG-N 3.45Å; S48-W50 VanDerWaalsContact OG-N 3.16Å; S48-E51 PolarHBondContact N-O 3.02Å; S48-E51 VanDerWaalsContact OG-CG 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.48Å; S48-E51 PolarHBondContact OG-N 2.9Å; S48-E51 PolarHBondContact OG-O 3.32Å; S48-Y129 PolarHBondContact O-OH 3.2Å
49	L	90.1	Very high	79.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	32%	0.323	C	S	.	.	S	Bend	trans	-60.3	-24.1	170.9	-162.5	66.6	0	0	0	113	L30 W35 M68 A77 Y80 Y129	L30-L49 HydrophobicContact CD2-CD2 4.04Å; W35-L49 HydrophobicContact CD2-CB 4.47Å; W35-L49 HydrophobicContact CD2-CD1 4.37Å; W35-L49 HydrophobicContact CE3-CD1 4.18Å; W35-L49 HydrophobicContact CH2-CD1 3.83Å; W35-L49 HydrophobicContact CZ2-CB 4.35Å; W35-L49 HydrophobicContact CZ2-CD1 4Å; W35-L49 HydrophobicContact CZ2-CD2 4.19Å; W35-L49 HydrophobicContact CZ2-CG 4.43Å; W35-L49 HydrophobicContact CZ3-CD1 3.91Å; L49-M68 WeakPolarHBondContact O-CE 3.26Å; L49-A77 HydrophobicContact CD2-CB 4.13Å; L49-A77 HydrophobicContact CG-CB 4.04Å; L49-Y80 HydrophobicContact CD2-CD1 4.27Å; L49-Y129 HydrophobicContact CD1-CD2 3.78Å; L49-Y129 HydrophobicContact CD1-CE2 4.22Å; L49-Y129 HydrophobicContact CD1-CG 4.44Å
50	W	93.4	Very high	79.5	Confident	95 Å²	95	52.2 Å²	52.2	36%	0.36	31%	0.314	S	S	.	.	S	Bend	trans	-103.9	-34.4	-170.4	-50.4	102.6	0	0	0	114.1	L30 S48 S66 L67 M68 A77 L81	L30-W50 HydrophobicContact CD2-CZ2 4.13Å; L30-W50 PolarHBondContact O-NE1 3.39Å; S48-W50 PolarHBondContact O-N 3.25Å; S48-W50 PolarHBondContact OG-N 3.45Å; S48-W50 VanDerWaalsContact OG-N 3.16Å; W50-S66 PolarHBondContact O-OG 2.86Å; W50-L67 PolarHBondContact O-N 3.34Å; W50-M68 HydrophobicContact CE3-CE 3.7Å; W50-M68 HydrophobicContact CE3-CG 4.33Å; W50-M68 HydrophobicContact CE3-SD 3.96Å; W50-M68 HydrophobicContact CZ3-CE 4.24Å; W50-M68 HydrophobicContact CZ3-SD 4.19Å; W50-A77 HydrophobicContact CE3-CB 4.43Å; W50-A77 HydrophobicContact CH2-CB 4.3Å; W50-A77 HydrophobicContact CZ3-CB 3.97Å; W50-L81 HydrophobicContact CH2-CD1 3.92Å; W50-L81 HydrophobicContact CZ2-CD1 4.48Å
51	E	92.1	Very high	80.2	Confident	54 Å²	54	57.1 Å²	57.1	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.9	-172	58.9	178.5	-158.8	0	0	111.3	R33 S48 E65	R33-E51 IonicContact CZ-OE1 3.06Å; R33-E51 IonicContact NE-OE1 3.99Å; R33-E51 IonicContact NH1-OE1 2.72Å; R33-E51 PolarHBondContact NH1-OE1 3.31Å; R33-E51 IonicContact NH2-OE1 3.07Å; R33-E51 PolarHBondContact NH2-OE1 3.43Å; S48-E51 PolarHBondContact N-O 3.02Å; S48-E51 VanDerWaalsContact OG-CG 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.48Å; S48-E51 PolarHBondContact OG-N 2.9Å; S48-E51 PolarHBondContact OG-O 3.32Å; E51-E65 CarbonylContact C-O 3.46Å; E51-E65 VanDerWaalsContact CA-O 3.29Å; E51-E65 WeakPolarHBondContact CA-O 3.07Å
52	S	89.7	Confident	81.2	Confident	7 Å²	7	55.6 Å²	55.6	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.5	170.8	180	0	0	0	0	108.9	C64 E65 L67	S52-C64 CarbonylContact O-C 3.59Å; S52-C64 WeakPolarHBondContact O-CA 3.41Å; S52-E65 PolarHBondContact N-O 3.29Å; S52-E65 PolarHBondContact O-N 2.99Å; S52-L67 VanDerWaalsContact CB-CD1 3.41Å
53	C	89.1	Confident	82.4	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.054	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.7	177.9	-59.3	0	0	0	0	110.3	Q46 W62 M63 C64	Q46-C53 PolarHBondContact N-O 3.28Å; Q46-C53 WeakPolarHBondContact O-CA 3.46Å; Q46-C53 PolarHBondContact O-N 3.04Å; C53-W62 HydrophobicContact CB-CE3 3.85Å; C53-W62 HydrophobicContact CB-CZ3 4.33Å; C53-M63 CarbonylContact C-O 3.6Å; C53-M63 WeakPolarHBondContact CA-O 3.33Å; C53-C64 HydrophobicContact CB-CB 4.15Å; C53-C64 WeakPolarHBondContact CB-SG 3.45Å; C53-C64 WeakPolarHBondContact SG-CB 3.41Å; C53-C64 CovalentContact SG-SG 2.05Å; C53-C64 PolarHBondContact SG-SG 3.38Å
54	R	86.3	Confident	83.2	Confident	72 Å²	72	56.3 Å²	56.3	27%	0.272	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	-178.9	-48	-174	155.8	-163.5	-13.6	108.9	V44 H45 M63 G138	V44-R54 CarbonylContact O-C 3.53Å; V44-R54 VanDerWaalsContact O-CA 3.31Å; V44-R54 WeakPolarHBondContact O-CA 3.47Å; H45-R54 VanDerWaalsContact ND1-CG 3.33Å; H45-R54 WeakPolarHBondContact ND1-CG 3.34Å; R54-M63 PolarHBondContact N-O 3.47Å; R54-M63 PolarHBondContact O-N 3.24Å; R54-G138 PolarHBondContact NH1-O 2.91Å; R54-G138 PolarHBondContact NH2-O 3.34Å
55	R	83.9	Confident	83.8	Confident	52 Å²	52	60.8 Å²	60.8	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.4	170.6	60.7	170.5	-169.2	-177.3	-1.7	110.2	Y43 V44 G57 W62	Y43-R55 VanDerWaalsContact C-NH2 3.34Å; Y43-R55 PolarHBondContact O-NE 3.32Å; Y43-R55 PolarHBondContact O-NH2 3.31Å; V44-R55 HydrophobicContact CB-CG 4.1Å; V44-R55 WeakPolarHBondContact CB-O 3.2Å; V44-R55 HydrophobicContact CG1-CG 4.01Å; V44-R55 WeakPolarHBondContact CG1-O 3.42Å; V44-R55 PolarHBondContact O-N 3.43Å; R55-G57 WeakPolarHBondContact CD-O 3.41Å; R55-G57 PolarHBondContact O-N 3.49Å; R55-W62 HydrophobicContact CB-CD2 4.31Å; R55-W62 HydrophobicContact CB-CE3 4.22Å; R55-W62 HydrophobicContact CG-CE3 4.34Å; R55-W62 HydrophobicContact CG-CH2 4.27Å; R55-W62 HydrophobicContact CG-CZ2 4.48Å; R55-W62 HydrophobicContact CG-CZ3 4.2Å
56	A	74.6	Confident	84.2	Confident	94 Å²	94	63.5 Å²	63.5	78%	0.777	37%	0.366	S	S	*	.	S	Bend	trans	-75	1.4	-176.4	0	0	0	0	0	114.6
57	G	70.7	Confident	84.3	Confident	20 Å²	20	60.5 Å²	60.5	21%	0.206	35%	0.353	C	S	.	.	S	Bend	trans	161.3	-175.8	179.4	0	0	0	0	0	113.6	R55 G59 G60	R55-G57 WeakPolarHBondContact CD-O 3.41Å; R55-G57 PolarHBondContact O-N 3.49Å; G57-G59 PolarHBondContact O-N 3.33Å; G57-G60 PolarHBondContact O-N 2.96Å
58	A	63.4	Low	84.5	Confident	90 Å²	90	62.6 Å²	62.6	74%	0.744	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	91.5	173.1	0	0	0	0	0	110.2	P42	P42-A58 HydrophobicContact CB-CB 4.06Å
59	G	68.4	Low	84.3	Confident	76 Å²	76	65 Å²	65	78%	0.784	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.3	-1.1	-179.2	0	0	0	0	0	115	G57	G57-G59 PolarHBondContact O-N 3.33Å
60	G	74.1	Confident	84.3	Confident	31 Å²	31	69.3 Å²	69.3	32%	0.32	41%	0.405	S	S	.	.			trans	-76.7	156.4	171.9	0	0	0	0	0	112.7	G57	G57-G60 PolarHBondContact O-N 2.96Å
61	E	82.9	Confident	84.3	Confident	172 Å²	172	68.8 Å²	68.8	80%	0.804	42%	0.422	S	S	*	.			trans	-66.7	147.4	175.6	-157.7	174.3	-172.7	0	0	111.2	M63	E61-M63 PolarHBondContact O-N 3.49Å
62	W	83.7	Confident	84.4	Confident	108 Å²	108	67.3 Å²	67.3	41%	0.409	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.6	176.1	-72.4	98.1	0	0	0	109.8	Q46 C53 R55	Q46-W62 HydrophobicContact CB-CZ3 4.31Å; Q46-W62 HydrophobicContact CG-CH2 4.03Å; Q46-W62 HydrophobicContact CG-CZ3 4.26Å; C53-W62 HydrophobicContact CB-CE3 3.85Å; C53-W62 HydrophobicContact CB-CZ3 4.33Å; R55-W62 HydrophobicContact CB-CD2 4.31Å; R55-W62 HydrophobicContact CB-CE3 4.22Å; R55-W62 HydrophobicContact CG-CE3 4.34Å; R55-W62 HydrophobicContact CG-CH2 4.27Å; R55-W62 HydrophobicContact CG-CZ2 4.48Å; R55-W62 HydrophobicContact CG-CZ3 4.2Å
63	M	87.3	Confident	84.5	Confident	125 Å²	125	67 Å²	67	62%	0.616	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	110.8	171.7	-68.3	-174.3	-85.7	0	0	108.7	C53 R54 E61	C53-M63 CarbonylContact C-O 3.6Å; C53-M63 WeakPolarHBondContact CA-O 3.33Å; R54-M63 PolarHBondContact N-O 3.47Å; R54-M63 PolarHBondContact O-N 3.24Å; E61-M63 PolarHBondContact O-N 3.49Å
64	C	89.3	Confident	84.7	Confident	64 Å²	64	73.8 Å²	73.8	43%	0.432	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.8	179.8	-62.2	0	0	0	0	110.8	S52 C53	S52-C64 CarbonylContact O-C 3.59Å; S52-C64 WeakPolarHBondContact O-CA 3.41Å; C53-C64 HydrophobicContact CB-CB 4.15Å; C53-C64 WeakPolarHBondContact CB-SG 3.45Å; C53-C64 WeakPolarHBondContact SG-CB 3.41Å; C53-C64 CovalentContact SG-SG 2.05Å; C53-C64 PolarHBondContact SG-SG 3.38Å
65	E	90	Very high	85.1	Confident	122 Å²	122	72.5 Å²	72.5	57%	0.57	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.9	173.4	-68	-176.8	178.4	0	0	109.9	E51 S52 L67	E51-E65 CarbonylContact C-O 3.46Å; E51-E65 VanDerWaalsContact CA-O 3.29Å; E51-E65 WeakPolarHBondContact CA-O 3.07Å; S52-E65 PolarHBondContact N-O 3.29Å; S52-E65 PolarHBondContact O-N 2.99Å; E65-L67 PolarHBondContact O-N 3.16Å
66	S	91.4	Very high	85.6	Confident	69 Å²	69	70 Å²	70	48%	0.483	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.5	178.2	-174.5	0	0	0	0	111.3	W50 M68 G69	W50-S66 PolarHBondContact O-OG 2.86Å; S66-M68 PolarHBondContact O-N 3.43Å; S66-M68 WeakPolarHBondContact OG-CB 3.16Å; S66-M68 PolarHBondContact OG-N 2.95Å; S66-G69 PolarHBondContact O-N 3.27Å
67	L	89.8	Confident	86.6	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-69.5	-17	172.5	-99.1	68	0	0	0	112.2	W50 S52 E65 G69 Y70 W72 Y129 F133 I137	W50-L67 PolarHBondContact O-N 3.34Å; S52-L67 VanDerWaalsContact CB-CD1 3.41Å; E65-L67 PolarHBondContact O-N 3.16Å; L67-G69 PolarHBondContact O-N 3.16Å; L67-Y70 PolarHBondContact O-N 3.01Å; L67-W72 HydrophobicContact CD2-CH2 3.64Å; L67-W72 HydrophobicContact CD2-CZ3 4.15Å; L67-W72 HydrophobicContact CG-CH2 4.09Å; L67-Y129 HydrophobicContact CD2-CE2 3.8Å; L67-F133 HydrophobicContact CD1-CE2 4.49Å; L67-F133 HydrophobicContact CD2-CD2 3.95Å; L67-F133 HydrophobicContact CD2-CE2 3.99Å; L67-I137 HydrophobicContact CD1-CD1 4.21Å; L67-I137 HydrophobicContact CG-CD1 4.36Å
68	M	91.7	Very high	87.8	Confident	44 Å²	44	67.1 Å²	67.1	22%	0.217	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-68.9	-7.3	174.2	-59.3	-59.5	117.7	0	0	112.7	L49 W50 S66 Y70 R74 A77	L49-M68 WeakPolarHBondContact O-CE 3.26Å; W50-M68 HydrophobicContact CE3-CE 3.7Å; W50-M68 HydrophobicContact CE3-CG 4.33Å; W50-M68 HydrophobicContact CE3-SD 3.96Å; W50-M68 HydrophobicContact CZ3-CE 4.24Å; W50-M68 HydrophobicContact CZ3-SD 4.19Å; S66-M68 PolarHBondContact O-N 3.43Å; S66-M68 WeakPolarHBondContact OG-CB 3.16Å; S66-M68 PolarHBondContact OG-N 2.95Å; M68-Y70 VanDerWaalsContact C-N 3.27Å; M68-R74 VanDerWaalsContact O-CZ 3.29Å; M68-R74 PolarHBondContact O-NE 3.46Å; M68-R74 PolarHBondContact O-NH2 2.98Å; M68-R74 HydrophobicContact SD-CG 4.3Å; M68-A77 HydrophobicContact CE-CB 3.59Å; M68-A77 HydrophobicContact SD-CB 4.23Å
69	G	88.8	Confident	89.3	Confident	58 Å²	58	63.9 Å²	63.9	60%	0.598	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-67	-29.7	165.9	0	0	0	0	0	112.8	S66 L67	S66-G69 PolarHBondContact O-N 3.27Å; L67-G69 PolarHBondContact O-N 3.16Å
70	Y	90.6	Very high	90.6	Very high	91 Å²	91	60.4 Å²	60.4	36%	0.357	34%	0.34	S	S	.	.	S	Bend	trans	-92.4	136.3	-175.5	-60.1	-89.3	0	0	0	111.9	L67 M68 W72 G73 R74	L67-Y70 PolarHBondContact O-N 3.01Å; M68-Y70 VanDerWaalsContact C-N 3.27Å; Y70-W72 VanDerWaalsContact C-N 3.28Å; Y70-W72 VanDerWaalsContact CB-NE1 3.34Å; Y70-W72 AromaticContact CD1-NE1 3.63Å; Y70-W72 HydrophobicContact CG-CZ2 4.34Å; Y70-W72 AromaticContact CG-NE1 3.59Å; Y70-W72 PolarHBondContact O-N 2.91Å; Y70-G73 PolarHBondContact O-N 3.45Å; Y70-G73 VanDerWaalsContact O-N 3.08Å; Y70-R74 PolarHBondContact O-N 3.21Å
71	A	93.1	Very high	91.7	Very high	85 Å²	85	61.9 Å²	61.9	70%	0.702	34%	0.34	S	S	*	.	H	α-helix	trans	-59.3	-38.8	178.3	0	0	0	0	0	112.4	A75	A71-A75 WeakPolarHBondContact O-CB 3.47Å; A71-A75 PolarHBondContact O-N 3.37Å
72	W	93.1	Very high	92.3	Very high	22 Å²	22	56.6 Å²	56.6	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-34.6	176.2	67.3	-99.7	0	0	0	112.5	L67 Y70 A75 A76 Y129 K132 F133 I137	L67-W72 HydrophobicContact CD2-CH2 3.64Å; L67-W72 HydrophobicContact CD2-CZ3 4.15Å; L67-W72 HydrophobicContact CG-CH2 4.09Å; Y70-W72 VanDerWaalsContact C-N 3.28Å; Y70-W72 VanDerWaalsContact CB-NE1 3.34Å; Y70-W72 AromaticContact CD1-NE1 3.63Å; Y70-W72 HydrophobicContact CG-CZ2 4.34Å; Y70-W72 AromaticContact CG-NE1 3.59Å; Y70-W72 PolarHBondContact O-N 2.91Å; W72-A75 PolarHBondContact O-N 3.22Å; W72-A76 WeakPolarHBondContact O-CB 3.43Å; W72-A76 PolarHBondContact O-N 2.83Å; W72-Y129 HydrophobicContact CZ3-CD2 4.42Å; W72-K132 HydrophobicContact CB-CB 3.97Å; W72-K132 HydrophobicContact CB-CG 3.95Å; W72-K132 HydrophobicContact CD2-CB 3.5Å; W72-K132 HydrophobicContact CD2-CG 4.46Å; W72-K132 HydrophobicContact CE3-CB 3.53Å; W72-K132 HydrophobicContact CG-CB 3.71Å; W72-K132 HydrophobicContact CG-CG 4.22Å; W72-K132 HydrophobicContact CZ3-CB 4.23Å; W72-F133 HydrophobicContact CH2-CB 4.08Å; W72-F133 AromaticContact CH2-CD2 3.92Å; W72-F133 HydrophobicContact CH2-CD2 3.92Å; W72-F133 HydrophobicContact CH2-CG 4.4Å; W72-F133 HydrophobicContact CZ3-CB 4.4Å; W72-I137 HydrophobicContact CH2-CD1 3.93Å; W72-I137 HydrophobicContact CZ2-CD1 3.69Å; W72-I137 HydrophobicContact CZ2-CG1 4.13Å
73	G	92	Very high	93	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-44	177.4	0	0	0	0	0	111	Y70 A75 A76 A77	Y70-G73 PolarHBondContact O-N 3.45Å; Y70-G73 VanDerWaalsContact O-N 3.08Å; G73-A75 PolarHBondContact O-N 2.94Å; G73-A76 PolarHBondContact O-N 3.48Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 2.89Å
74	R	94.4	Very high	93.4	Very high	151 Å²	151	46.9 Å²	46.9	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-44.6	171.1	-65.7	-179.6	-171.3	170.5	7.1	111.9	M68 Y70 A78	M68-R74 VanDerWaalsContact O-CZ 3.29Å; M68-R74 PolarHBondContact O-NE 3.46Å; M68-R74 PolarHBondContact O-NH2 2.98Å; M68-R74 HydrophobicContact SD-CG 4.3Å; Y70-R74 PolarHBondContact O-N 3.21Å; R74-A78 WeakPolarHBondContact O-CB 3.41Å; R74-A78 PolarHBondContact O-N 3.1Å
75	A	94.3	Very high	93.8	Very high	44 Å²	44	47.8 Å²	47.8	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-48.7	179.7	0	0	0	0	0	111.7	A71 W72 G73 A77 A78 T79	A71-A75 WeakPolarHBondContact O-CB 3.47Å; A71-A75 PolarHBondContact O-N 3.37Å; W72-A75 PolarHBondContact O-N 3.22Å; G73-A75 PolarHBondContact O-N 2.94Å; A75-A77 PolarHBondContact O-N 3.29Å; A75-A78 PolarHBondContact O-N 3.46Å; A75-T79 WeakPolarHBondContact O-CG2 3.15Å; A75-T79 PolarHBondContact O-N 3.48Å; A75-T79 PolarHBondContact O-OG1 2.87Å; A75-T79 VanDerWaalsContact O-OG1 3.08Å
76	A	94.1	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-45.4	179.1	0	0	0	0	0	112.1	W72 G73 T79 Y80 I128	W72-A76 WeakPolarHBondContact O-CB 3.43Å; W72-A76 PolarHBondContact O-N 2.83Å; G73-A76 PolarHBondContact O-N 3.48Å; A76-T79 PolarHBondContact O-OG1 3.34Å; A76-Y80 WeakPolarHBondContact O-CB 3.48Å; A76-Y80 PolarHBondContact O-N 3.38Å; A76-Y80 VanDerWaalsContact O-N 3.13Å; A76-I128 HydrophobicContact CB-CB 4.13Å; A76-I128 HydrophobicContact CB-CG2 3.86Å
77	A	94.5	Very high	94.4	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-43.1	177.5	0	0	0	0	0	111.9	L49 W50 M68 G73 A75 L81	L49-A77 HydrophobicContact CD2-CB 4.13Å; L49-A77 HydrophobicContact CG-CB 4.04Å; W50-A77 HydrophobicContact CE3-CB 4.43Å; W50-A77 HydrophobicContact CH2-CB 4.3Å; W50-A77 HydrophobicContact CZ3-CB 3.97Å; M68-A77 HydrophobicContact CE-CB 3.59Å; M68-A77 HydrophobicContact SD-CB 4.23Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 2.89Å; A75-A77 PolarHBondContact O-N 3.29Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 3.17Å
78	A	95.9	Very high	94.8	Very high	52 Å²	52	42.8 Å²	42.8	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-46.7	179.5	0	0	0	0	0	112.1	R74 A75 Y80 L81 V82	R74-A78 WeakPolarHBondContact O-CB 3.41Å; R74-A78 PolarHBondContact O-N 3.1Å; A75-A78 PolarHBondContact O-N 3.46Å; A78-Y80 PolarHBondContact O-N 2.94Å; A78-L81 PolarHBondContact O-N 3.26Å; A78-V82 WeakPolarHBondContact O-CB 3.4Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.25Å; A78-V82 PolarHBondContact O-N 2.94Å
79	T	95.8	Very high	95	Very high	22 Å²	22	44.3 Å²	44.3	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-43.4	179.5	53.8	0	0	0	0	111.2	A75 A76 L81 V82 G83 F121 M124 G125	A75-T79 WeakPolarHBondContact O-CG2 3.15Å; A75-T79 PolarHBondContact O-N 3.48Å; A75-T79 PolarHBondContact O-OG1 2.87Å; A75-T79 VanDerWaalsContact O-OG1 3.08Å; A76-T79 PolarHBondContact O-OG1 3.34Å; T79-L81 PolarHBondContact O-N 3.06Å; T79-V82 PolarHBondContact O-N 3.03Å; T79-G83 PolarHBondContact O-N 3.48Å; T79-F121 CarbonylContact C-O 3.25Å; T79-F121 CarbonylContact O-C 3.54Å; T79-F121 WeakPolarHBondContact O-CB 3.32Å; T79-M124 HydrophobicContact CG2-CB 4.39Å; T79-M124 HydrophobicContact CG2-CE 4.22Å; T79-G125 VanDerWaalsContact OG1-CA 3.27Å; T79-G125 WeakPolarHBondContact OG1-CA 3.25Å; T79-G125 PolarHBondContact OG1-N 3.43Å
80	Y	95.8	Very high	95.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-40.9	177.9	-168	-94.4	0	0	0	112	A29 L30 W35 L49 A76 A78 G83 F84 L126 G152	A29-Y80 HydrophobicContact CB-CE1 4.22Å; A29-Y80 VanDerWaalsContact CB-OH 3.3Å; A29-Y80 WeakPolarHBondContact CB-OH 3.44Å; L30-Y80 HydrophobicContact CD2-CD1 3.62Å; L30-Y80 HydrophobicContact CD2-CE1 3.93Å; L30-Y80 HydrophobicContact CG-CD1 4.13Å; L30-Y80 HydrophobicContact CG-CE1 3.92Å; W35-Y80 HydrophobicContact CH2-CD2 4.31Å; W35-Y80 HydrophobicContact CH2-CE2 4.34Å; W35-Y80 HydrophobicContact CH2-CG 4.48Å; W35-Y80 HydrophobicContact CZ2-CE1 4.45Å; L49-Y80 HydrophobicContact CD2-CD1 4.27Å; A76-Y80 WeakPolarHBondContact O-CB 3.48Å; A76-Y80 PolarHBondContact O-N 3.38Å; A76-Y80 VanDerWaalsContact O-N 3.13Å; A78-Y80 PolarHBondContact O-N 2.94Å; Y80-G83 PolarHBondContact O-N 3.12Å; Y80-F84 PolarHBondContact O-N 2.92Å; Y80-L126 HydrophobicContact CD2-CG 4.23Å; Y80-L126 HydrophobicContact CE2-CD1 4.3Å; Y80-L126 HydrophobicContact CE2-CD2 4.35Å; Y80-L126 HydrophobicContact CE2-CG 4.05Å; Y80-G152 VanDerWaalsContact OH-CA 3.25Å; Y80-G152 WeakPolarHBondContact OH-CA 2.87Å
81	L	96.3	Very high	95.5	Very high	63 Å²	63	40 Å²	40	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-66.5	-38.3	177.6	-172.5	144.2	0	0	0	112.2	W50 A77 A78 T79 F84 I85	W50-L81 HydrophobicContact CH2-CD1 3.92Å; W50-L81 HydrophobicContact CZ2-CD1 4.48Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 3.17Å; A78-L81 PolarHBondContact O-N 3.26Å; T79-L81 PolarHBondContact O-N 3.06Å; L81-F84 PolarHBondContact O-N 3.39Å; L81-I85 HydrophobicContact CD2-CD1 3.49Å; L81-I85 VanDerWaalsContact CD2-CD1 3.49Å; L81-I85 HydrophobicContact CD2-CG1 4.25Å; L81-I85 HydrophobicContact CG-CD1 4.48Å; L81-I85 WeakPolarHBondContact O-CG1 3.27Å; L81-I85 PolarHBondContact O-N 2.91Å
82	V	97.4	Very high	95.6	Very high	60 Å²	60	38.1 Å²	38.1	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-45.9	172.7	169.5	0	0	0	0	110.8	A78 T79 F84 I85 L86 F121	A78-V82 WeakPolarHBondContact O-CB 3.4Å; A78-V82 VanDerWaalsContact O-CG2 3.26Å; A78-V82 WeakPolarHBondContact O-CG2 3.25Å; A78-V82 PolarHBondContact O-N 2.94Å; T79-V82 PolarHBondContact O-N 3.03Å; V82-F84 VanDerWaalsContact C-N 3.33Å; V82-F84 PolarHBondContact O-N 2.96Å; V82-I85 PolarHBondContact O-N 3.43Å; V82-L86 HydrophobicContact CG1-CD1 4.33Å; V82-L86 WeakPolarHBondContact O-CG 3.26Å; V82-L86 PolarHBondContact O-N 3Å; V82-F121 HydrophobicContact CB-CD1 4.48Å; V82-F121 HydrophobicContact CG1-CB 4.48Å; V82-F121 HydrophobicContact CG1-CD1 4.08Å; V82-F121 HydrophobicContact CG1-CD2 3.97Å; V82-F121 HydrophobicContact CG1-CE1 4.29Å; V82-F121 HydrophobicContact CG1-CE2 4.18Å; V82-F121 HydrophobicContact CG1-CG 3.93Å; V82-F121 HydrophobicContact CG1-CZ 4.34Å
83	G	96.5	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-48	174.2	0	0	0	0	0	111.9	T79 Y80 I85 L86 L87	T79-G83 PolarHBondContact O-N 3.48Å; Y80-G83 PolarHBondContact O-N 3.12Å; G83-I85 PolarHBondContact O-N 3.3Å; G83-L86 WeakPolarHBondContact O-CB 3.45Å; G83-L86 PolarHBondContact O-N 3.18Å; G83-L87 PolarHBondContact O-N 3.27Å
84	F	97.1	Very high	95.4	Very high	29 Å²	29	39.4 Å²	39.4	13%	0.127	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-41.8	177.6	179.3	-104.8	0	0	0	113.6	V23 I27 L30 Y80 L81 V82 L86 L87 V88	V23-F84 HydrophobicContact CG1-CE2 4.17Å; V23-F84 HydrophobicContact CG1-CZ 4.14Å; V23-F84 WeakPolarHBondContact O-CE2 3.12Å; I27-F84 HydrophobicContact CD1-CZ 4.3Å; I27-F84 HydrophobicContact CG1-CE1 4.41Å; I27-F84 HydrophobicContact CG1-CE2 3.99Å; I27-F84 HydrophobicContact CG1-CZ 3.47Å; I27-F84 VanDerWaalsContact CG1-CZ 3.47Å; L30-F84 HydrophobicContact CD1-CB 4.1Å; L30-F84 HydrophobicContact CD1-CD1 3.41Å; L30-F84 VanDerWaalsContact CD1-CD1 3.41Å; L30-F84 HydrophobicContact CD1-CD2 4.24Å; L30-F84 HydrophobicContact CD1-CE1 3.87Å; L30-F84 HydrophobicContact CD1-CG 3.63Å; L30-F84 HydrophobicContact CD1-CZ 4.46Å; Y80-F84 PolarHBondContact O-N 2.92Å; L81-F84 PolarHBondContact O-N 3.39Å; V82-F84 VanDerWaalsContact C-N 3.33Å; V82-F84 PolarHBondContact O-N 2.96Å; F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 3.01Å; F84-L87 HydrophobicContact CD2-CD2 4.5Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 2.96Å; F84-V88 HydrophobicContact CD1-CG2 4.35Å; F84-V88 HydrophobicContact CE1-CG2 3.82Å; F84-V88 HydrophobicContact CE2-CG2 4.12Å; F84-V88 HydrophobicContact CZ-CG2 3.67Å; F84-V88 WeakPolarHBondContact O-CG2 3.21Å; F84-V88 PolarHBondContact O-N 3.42Å
85	I	97.9	Very high	95.2	Very high	83 Å²	83	35.3 Å²	35.3	43%	0.426	21%	0.206	S	C	.	.	H	α-helix	trans	-61	-44	175.6	-72.2	172.1	0	0	0	110.4	L81 V82 G83 L87 V88 I89	L81-I85 HydrophobicContact CD2-CD1 3.49Å; L81-I85 VanDerWaalsContact CD2-CD1 3.49Å; L81-I85 HydrophobicContact CD2-CG1 4.25Å; L81-I85 HydrophobicContact CG-CD1 4.48Å; L81-I85 WeakPolarHBondContact O-CG1 3.27Å; L81-I85 PolarHBondContact O-N 2.91Å; V82-I85 PolarHBondContact O-N 3.43Å; G83-I85 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 3.46Å; I85-V88 PolarHBondContact O-N 3.04Å; I85-I89 HydrophobicContact CG2-CD1 3.98Å; I85-I89 WeakPolarHBondContact O-CG1 3.2Å; I85-I89 PolarHBondContact O-N 3.33Å
86	L	97.3	Very high	94.9	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.7	-67.5	176.4	0	0	0	111.5	V82 G83 F84 V88 I89 C90 L114 V117 A118 F121	V82-L86 HydrophobicContact CG1-CD1 4.33Å; V82-L86 WeakPolarHBondContact O-CG 3.26Å; V82-L86 PolarHBondContact O-N 3Å; G83-L86 WeakPolarHBondContact O-CB 3.45Å; G83-L86 PolarHBondContact O-N 3.18Å; F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 3.01Å; L86-V88 PolarHBondContact O-N 3.34Å; L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 PolarHBondContact O-N 2.86Å; L86-C90 PolarHBondContact O-N 3.3Å; L86-C90 PolarHBondContact O-SG 3.15Å; L86-L114 HydrophobicContact CD2-CD1 4.14Å; L86-V117 HydrophobicContact CD1-CG1 4.02Å; L86-A118 HydrophobicContact CB-CB 3.69Å; L86-A118 HydrophobicContact CD1-CB 4.43Å; L86-F121 HydrophobicContact CD1-CD2 3.93Å; L86-F121 HydrophobicContact CD1-CE2 4.31Å
87	L	96.9	Very high	94.4	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-44.2	173.5	175.9	63.2	0	0	0	112.3	L19 V23 G83 F84 I85 I89 C90 F91 L115 T155 E159	L19-L87 HydrophobicContact CD2-CD1 3.77Å; V23-L87 HydrophobicContact CG2-CD2 4.28Å; V23-L87 HydrophobicContact CG2-CG 4.01Å; G83-L87 PolarHBondContact O-N 3.27Å; F84-L87 HydrophobicContact CD2-CD2 4.5Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 2.96Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 3.46Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.48Å; L87-C90 WeakPolarHBondContact O-CB 3.5Å; L87-C90 PolarHBondContact O-N 3.49Å; L87-F91 PolarHBondContact O-N 2.71Å; L87-L115 HydrophobicContact CD1-CD2 3.88Å; L87-T155 HydrophobicContact CD2-CG2 3.59Å; L87-E159 HydrophobicContact CD1-CG 4Å; L87-E159 HydrophobicContact CD2-CG 4.48Å
88	V	97.3	Very high	93.7	Very high	56 Å²	56	37.6 Å²	37.6	34%	0.339	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-40.8	176.7	173.2	0	0	0	0	111.2	V23 F84 I85 L86 F91 A92	V23-V88 HydrophobicContact CG1-CG2 4.12Å; V23-V88 HydrophobicContact CG2-CG2 4.26Å; F84-V88 HydrophobicContact CD1-CG2 4.35Å; F84-V88 HydrophobicContact CE1-CG2 3.82Å; F84-V88 HydrophobicContact CE2-CG2 4.12Å; F84-V88 HydrophobicContact CZ-CG2 3.67Å; F84-V88 WeakPolarHBondContact O-CG2 3.21Å; F84-V88 PolarHBondContact O-N 3.42Å; I85-V88 PolarHBondContact O-N 3.04Å; L86-V88 PolarHBondContact O-N 3.34Å; V88-F91 PolarHBondContact O-N 3.5Å; V88-A92 PolarHBondContact O-N 3.36Å
89	I	96.3	Very high	93	Very high	76 Å²	76	37.9 Å²	37.9	39%	0.39	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-47.7	173.8	-67.2	166.9	0	0	0	110.1	I85 L86 L87 F91 A92 L93 L114	I85-I89 HydrophobicContact CG2-CD1 3.98Å; I85-I89 WeakPolarHBondContact O-CG1 3.2Å; I85-I89 PolarHBondContact O-N 3.33Å; L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 PolarHBondContact O-N 2.86Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.48Å; I89-F91 VanDerWaalsContact C-N 3.29Å; I89-F91 PolarHBondContact O-N 3.08Å; I89-A92 PolarHBondContact O-N 2.93Å; I89-L93 HydrophobicContact CG2-CD1 3.92Å; I89-L93 HydrophobicContact CG2-CG 4.26Å; I89-L93 VanDerWaalsContact O-CG 3.31Å; I89-L93 WeakPolarHBondContact O-CG 3.21Å; I89-L93 PolarHBondContact O-N 3.49Å; I89-L114 HydrophobicContact CG2-CD2 4.21Å
90	C	94.9	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-39.8	176.4	-72	0	0	0	0	112.4	L86 L87 L93 A94 I111 L115	L86-C90 PolarHBondContact O-N 3.3Å; L86-C90 PolarHBondContact O-SG 3.15Å; L87-C90 WeakPolarHBondContact O-CB 3.5Å; L87-C90 PolarHBondContact O-N 3.49Å; C90-L93 PolarHBondContact O-N 3.13Å; C90-A94 VanDerWaalsContact O-CB 3.26Å; C90-A94 WeakPolarHBondContact O-CB 3.35Å; C90-A94 PolarHBondContact O-N 3.22Å; C90-I111 HydrophobicContact CB-CG2 4.23Å; C90-L115 HydrophobicContact CB-CD2 3.71Å; C90-L115 HydrophobicContact CB-CG 4Å
91	F	95.1	Very high	90.6	Very high	58 Å²	58	44.9 Å²	44.9	25%	0.254	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-46.4	175.7	173.7	-116.4	0	0	0	112.2	P16 L19 G20 V23 L87 V88 I89 A94 I95	P16-F91 VanDerWaalsContact O-CE2 3.32Å; P16-F91 WeakPolarHBondContact O-CE2 3.45Å; L19-F91 HydrophobicContact CB-CB 4.32Å; L19-F91 HydrophobicContact CB-CD2 3.83Å; G20-F91 VanDerWaalsContact CA-CE2 3.47Å; V23-F91 HydrophobicContact CG2-CB 3.96Å; V23-F91 HydrophobicContact CG2-CD1 4.37Å; V23-F91 HydrophobicContact CG2-CG 4.18Å; L87-F91 PolarHBondContact O-N 2.71Å; V88-F91 PolarHBondContact O-N 3.5Å; I89-F91 VanDerWaalsContact C-N 3.29Å; I89-F91 PolarHBondContact O-N 3.08Å; F91-A94 PolarHBondContact O-N 3.39Å; F91-I95 HydrophobicContact CD1-CD1 4.2Å; F91-I95 HydrophobicContact CD2-CD1 4.34Å; F91-I95 HydrophobicContact CE1-CD1 3.68Å; F91-I95 HydrophobicContact CE2-CD1 3.85Å; F91-I95 HydrophobicContact CE2-CG1 4.22Å; F91-I95 HydrophobicContact CZ-CD1 3.51Å; F91-I95 HydrophobicContact CZ-CG1 4.35Å; F91-I95 PolarHBondContact O-N 2.91Å
92	A	93.9	Very high	88.7	Confident	46 Å²	46	48 Å²	48	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-45.1	176.3	0	0	0	0	0	111.8	V88 I89 A94 I95 I96	V88-A92 PolarHBondContact O-N 3.36Å; I89-A92 PolarHBondContact O-N 2.93Å; A92-A94 VanDerWaalsContact C-N 3.32Å; A92-A94 PolarHBondContact O-N 2.86Å; A92-I95 PolarHBondContact O-N 3.29Å; A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 3.33Å; A92-I96 VanDerWaalsContact O-N 3.15Å
93	L	91.6	Very high	86.8	Confident	50 Å²	50	49.4 Å²	49.4	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-37.6	176.6	-67.4	178.6	0	0	0	112	I89 C90 I96 A97 F107 I111 L114	I89-L93 HydrophobicContact CG2-CD1 3.92Å; I89-L93 HydrophobicContact CG2-CG 4.26Å; I89-L93 VanDerWaalsContact O-CG 3.31Å; I89-L93 WeakPolarHBondContact O-CG 3.21Å; I89-L93 PolarHBondContact O-N 3.49Å; C90-L93 PolarHBondContact O-N 3.13Å; L93-I96 PolarHBondContact O-N 2.87Å; L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.45Å; L93-A97 PolarHBondContact O-N 3.12Å; L93-F107 HydrophobicContact CD2-CE1 4.28Å; L93-I111 HydrophobicContact CB-CD1 3.83Å; L93-I111 HydrophobicContact CB-CG1 3.94Å; L93-I111 HydrophobicContact CD1-CG1 4.41Å; L93-L114 HydrophobicContact CD1-CD2 4.48Å
94	A	89.9	Confident	85.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-39.7	175.7	0	0	0	0	0	111.9	P16 L19 C90 F91 A92 I96 A97 F98 F166	P16-A94 HydrophobicContact CG-CB 4.43Å; L19-A94 HydrophobicContact CD1-CB 3.51Å; C90-A94 VanDerWaalsContact O-CB 3.26Å; C90-A94 WeakPolarHBondContact O-CB 3.35Å; C90-A94 PolarHBondContact O-N 3.22Å; F91-A94 PolarHBondContact O-N 3.39Å; A92-A94 VanDerWaalsContact C-N 3.32Å; A92-A94 PolarHBondContact O-N 2.86Å; A94-I96 VanDerWaalsContact C-N 3.33Å; A94-I96 PolarHBondContact O-N 2.88Å; A94-A97 PolarHBondContact O-N 3.31Å; A94-F98 WeakPolarHBondContact O-CD2 3.36Å; A94-F98 PolarHBondContact O-N 3.14Å; A94-F98 VanDerWaalsContact O-N 3.12Å; A94-F166 HydrophobicContact CB-CZ 4.34Å
95	I	89.9	Confident	83.7	Confident	66 Å²	66	52.8 Å²	52.8	34%	0.338	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-46.4	173.7	-68.8	162.7	0	0	0	110.5	F91 A92 F98 A99	F91-I95 HydrophobicContact CD1-CD1 4.2Å; F91-I95 HydrophobicContact CD2-CD1 4.34Å; F91-I95 HydrophobicContact CE1-CD1 3.68Å; F91-I95 HydrophobicContact CE2-CD1 3.85Å; F91-I95 HydrophobicContact CE2-CG1 4.22Å; F91-I95 HydrophobicContact CZ-CD1 3.51Å; F91-I95 HydrophobicContact CZ-CG1 4.35Å; F91-I95 PolarHBondContact O-N 2.91Å; A92-I95 PolarHBondContact O-N 3.29Å; I95-F98 PolarHBondContact O-N 3.42Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.2Å
96	I	87.8	Confident	82.4	Confident	90 Å²	90	56.2 Å²	56.2	46%	0.462	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-45.9	-179.2	-62.8	166.2	0	0	0	111	A92 L93 A94 F98 A99 I100	A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 3.33Å; A92-I96 VanDerWaalsContact O-N 3.15Å; L93-I96 PolarHBondContact O-N 2.87Å; A94-I96 VanDerWaalsContact C-N 3.33Å; A94-I96 PolarHBondContact O-N 2.88Å; I96-F98 VanDerWaalsContact C-N 3.28Å; I96-F98 PolarHBondContact O-N 2.85Å; I96-A99 PolarHBondContact O-N 3.43Å; I96-I100 HydrophobicContact CG2-CD1 4.21Å; I96-I100 PolarHBondContact O-N 3.18Å
97	A	83.8	Confident	81.4	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-30.5	-178	0	0	0	0	0	113.4	L93 A94 I108 I111	L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.45Å; L93-A97 PolarHBondContact O-N 3.12Å; A94-A97 PolarHBondContact O-N 3.31Å; A97-I108 HydrophobicContact CB-CG1 4.34Å; A97-I111 HydrophobicContact CB-CD1 4.07Å
98	F	79.9	Confident	80.9	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-95.6	-14.3	178.6	-75	-98.8	0	0	0	113.6	Y8 R12 L15 P16 A94 I95 I96 I108 F166 L169	Y8-F98 WeakPolarHBondContact OH-CE1 3.5Å; R12-F98 HydrophobicContact CB-CD1 4.38Å; R12-F98 WeakPolarHBondContact O-CD1 3.14Å; L15-F98 HydrophobicContact CB-CZ 4.5Å; L15-F98 HydrophobicContact CD1-CZ 4.07Å; P16-F98 HydrophobicContact CG-CB 4.09Å; P16-F98 HydrophobicContact CG-CD2 3.9Å; P16-F98 HydrophobicContact CG-CE2 4.49Å; P16-F98 HydrophobicContact CG-CG 3.91Å; A94-F98 WeakPolarHBondContact O-CD2 3.36Å; A94-F98 PolarHBondContact O-N 3.14Å; A94-F98 VanDerWaalsContact O-N 3.12Å; I95-F98 PolarHBondContact O-N 3.42Å; I96-F98 VanDerWaalsContact C-N 3.28Å; I96-F98 PolarHBondContact O-N 2.85Å; F98-I108 HydrophobicContact CE2-CD1 4.04Å; F98-I108 HydrophobicContact CE2-CG1 4.26Å; F98-I108 HydrophobicContact CZ-CD1 4.03Å; F98-F166 HydrophobicContact CE2-CD1 4.41Å; F98-F166 AromaticContact CE2-CE1 3.65Å; F98-F166 HydrophobicContact CE2-CE1 3.65Å; F98-F166 AromaticContact CZ-CE1 3.95Å; F98-F166 HydrophobicContact CZ-CE1 3.95Å; F98-L169 HydrophobicContact CZ-CD2 4.38Å
99	A	82.3	Confident	80.4	Confident	57 Å²	57	64.7 Å²	64.7	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-80.3	-29.5	172.8	0	0	0	0	0	113	W13 I95 I96	W13-A99 HydrophobicContact CH2-CB 4.49Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.2Å; I96-A99 PolarHBondContact O-N 3.43Å
100	I	75.8	Confident	80.1	Confident	73 Å²	73	63.2 Å²	63.2	37%	0.374	34%	0.34	S	S	.	.			trans	-112.5	116.3	-177.2	-55.5	172.9	0	0	0	110	I96 T102 L103	I96-I100 HydrophobicContact CG2-CD1 4.21Å; I96-I100 PolarHBondContact O-N 3.18Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 WeakPolarHBondContact CG2-OG1 3.25Å; I100-T102 PolarHBondContact O-N 2.97Å; I100-L103 HydrophobicContact CB-CD1 4.36Å; I100-L103 HydrophobicContact CD1-CD1 4Å; I100-L103 HydrophobicContact CG2-CD1 4.05Å; I100-L103 HydrophobicContact CG2-CG 4.39Å
101	D	64.9	Low	80	Confident	99 Å²	99	63.3 Å²	63.3	53%	0.529	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.3	-173.4	-69.6	-43.3	0	0	0	114.8	R104	D101-R104 IonicContact OD1-CZ 3.39Å; D101-R104 IonicContact OD1-NE 3.62Å; D101-R104 IonicContact OD1-NH2 2.74Å; D101-R104 PolarHBondContact OD1-NH2 3.04Å
102	T	57.1	Low	79.8	Confident	127 Å²	127	60.6 Å²	60.6	78%	0.779	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.2	-174	54.9	0	0	0	0	115.1	I100	I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 WeakPolarHBondContact CG2-OG1 3.25Å; I100-T102 PolarHBondContact O-N 2.97Å
103	L	56.3	Low	79.8	Confident	90 Å²	90	60 Å²	60	47%	0.471	33%	0.327	S	S	.	.	S	Bend	trans	-102.1	14.4	-171.3	-79.9	165.4	0	0	0	114.3	I100	I100-L103 HydrophobicContact CB-CD1 4.36Å; I100-L103 HydrophobicContact CD1-CD1 4Å; I100-L103 HydrophobicContact CG2-CD1 4.05Å; I100-L103 HydrophobicContact CG2-CG 4.39Å
104	R	63.8	Low	80	Confident	32 Å²	32	60.1 Å²	60.1	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-51.8	-154.3	-78.5	178.8	165.4	-169.5	3.7	116.1	D101 I108	D101-R104 IonicContact OD1-CZ 3.39Å; D101-R104 IonicContact OD1-NE 3.62Å; D101-R104 IonicContact OD1-NH2 2.74Å; D101-R104 PolarHBondContact OD1-NH2 3.04Å; R104-I108 HydrophobicContact CB-CD1 4.39Å; R104-I108 VanDerWaalsContact O-CB 3.26Å; R104-I108 WeakPolarHBondContact O-CB 3.21Å; R104-I108 WeakPolarHBondContact O-CD1 3.47Å; R104-I108 WeakPolarHBondContact O-CG1 3.1Å; R104-I108 PolarHBondContact O-N 3.28Å
105	F	65.2	Low	80.3	Confident	68 Å²	68	60.1 Å²	60.1	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-90.4	-45.4	-149.7	-55.6	-70.3	0	0	0	115.6	F107 E173	F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3.29Å; F105-E173 HydrophobicContact CD1-CG 4.19Å; F105-E173 WeakPolarHBondContact CD1-OE2 3.33Å; F105-E173 WeakPolarHBondContact CD2-OE1 3.39Å; F105-E173 HydrophobicContact CE1-CB 4.32Å; F105-E173 HydrophobicContact CE1-CG 3.62Å; F105-E173 WeakPolarHBondContact CE2-OE1 3.26Å; F105-E173 WeakPolarHBondContact CG-OE2 3.46Å; F105-E173 HydrophobicContact CZ-CG 3.82Å; F105-E173 WeakPolarHBondContact CZ-OE1 3.42Å
106	N	70.5	Confident	80.6	Confident	155 Å²	155	60.8 Å²	60.8	83%	0.829	33%	0.328	S	S	*	.	H	α-helix	trans	-70.6	-32	177.5	-71.3	-12.4	0	0	0	112.2	G110	N106-G110 PolarHBondContact O-N 3.4Å
107	F	77.1	Confident	81.1	Confident	117 Å²	117	59.8 Å²	59.8	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-73.7	-39.2	-179.3	-124	-98.9	0	0	0	112.2	L93 F105 R109 G110 I111	L93-F107 HydrophobicContact CD2-CE1 4.28Å; F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3.29Å; F107-R109 VanDerWaalsContact C-N 3.32Å; F107-R109 PolarHBondContact O-N 3.42Å; F107-G110 PolarHBondContact O-N 2.93Å; F107-G110 VanDerWaalsContact O-N 3.13Å; F107-I111 WeakPolarHBondContact O-CG1 3.45Å; F107-I111 PolarHBondContact O-N 2.84Å
108	I	84.6	Confident	81.7	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-41	177.3	-79.2	171.5	0	0	0	111.7	A97 F98 R104 G110 I111 G112 F166 P170	A97-I108 HydrophobicContact CB-CG1 4.34Å; F98-I108 HydrophobicContact CE2-CD1 4.04Å; F98-I108 HydrophobicContact CE2-CG1 4.26Å; F98-I108 HydrophobicContact CZ-CD1 4.03Å; R104-I108 HydrophobicContact CB-CD1 4.39Å; R104-I108 VanDerWaalsContact O-CB 3.26Å; R104-I108 WeakPolarHBondContact O-CB 3.21Å; R104-I108 WeakPolarHBondContact O-CD1 3.47Å; R104-I108 WeakPolarHBondContact O-CG1 3.1Å; R104-I108 PolarHBondContact O-N 3.28Å; I108-G110 VanDerWaalsContact C-N 3.31Å; I108-G110 PolarHBondContact O-N 3.35Å; I108-I111 PolarHBondContact O-N 2.95Å; I108-G112 PolarHBondContact O-N 3.49Å; I108-F166 HydrophobicContact CG2-CB 4.29Å; I108-F166 HydrophobicContact CG2-CD1 4.03Å; I108-F166 WeakPolarHBondContact CG2-O 3.32Å; I108-P170 HydrophobicContact CG2-CG 3.94Å
109	R	87.9	Confident	82.6	Confident	149 Å²	149	59.7 Å²	59.7	56%	0.562	33%	0.326	S	S	*	.	H	α-helix	trans	-65	-36.3	176.6	-167.4	170.2	-177.2	150.8	-0.4	112.2	F107 G112 G113	F107-R109 VanDerWaalsContact C-N 3.32Å; F107-R109 PolarHBondContact O-N 3.42Å; R109-G112 PolarHBondContact O-N 3.46Å; R109-G113 PolarHBondContact O-N 2.9Å
110	G	89.8	Confident	83.3	Confident	45 Å²	45	61 Å²	61	46%	0.464	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-42.7	173.3	0	0	0	0	0	112.8	N106 F107 I108 G112 G113 L114	N106-G110 PolarHBondContact O-N 3.4Å; F107-G110 PolarHBondContact O-N 2.93Å; F107-G110 VanDerWaalsContact O-N 3.13Å; I108-G110 VanDerWaalsContact C-N 3.31Å; I108-G110 PolarHBondContact O-N 3.35Å; G110-G112 VanDerWaalsContact C-N 3.34Å; G110-G112 PolarHBondContact O-N 2.93Å; G110-G113 PolarHBondContact O-N 3.39Å; G110-L114 PolarHBondContact O-N 2.86Å
111	I	92.2	Very high	84.3	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-43.9	175.5	-63.5	166.2	0	0	0	110.6	C90 L93 A97 F107 I108 G113 L114 L115 F166	C90-I111 HydrophobicContact CB-CG2 4.23Å; L93-I111 HydrophobicContact CB-CD1 3.83Å; L93-I111 HydrophobicContact CB-CG1 3.94Å; L93-I111 HydrophobicContact CD1-CG1 4.41Å; A97-I111 HydrophobicContact CB-CD1 4.07Å; F107-I111 WeakPolarHBondContact O-CG1 3.45Å; F107-I111 PolarHBondContact O-N 2.84Å; I108-I111 PolarHBondContact O-N 2.95Å; I111-G113 PolarHBondContact O-N 3.5Å; I111-L114 PolarHBondContact O-N 2.93Å; I111-L115 HydrophobicContact CG2-CD1 4.31Å; I111-L115 WeakPolarHBondContact O-CG 3.35Å; I111-L115 PolarHBondContact O-N 3.28Å; I111-F166 HydrophobicContact CG2-CD2 4.46Å
112	G	92.3	Very high	85.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-43.9	175.7	0	0	0	0	0	112.8	I108 R109 G110 L114 L115 F116 C167	I108-G112 PolarHBondContact O-N 3.49Å; R109-G112 PolarHBondContact O-N 3.46Å; G110-G112 VanDerWaalsContact C-N 3.34Å; G110-G112 PolarHBondContact O-N 2.93Å; G112-L114 PolarHBondContact O-N 3.21Å; G112-L115 PolarHBondContact O-N 2.88Å; G112-F116 WeakPolarHBondContact O-CD2 2.93Å; G112-F116 PolarHBondContact O-N 3.45Å; G112-C167 VanDerWaalsContact C-SG 3.54Å
113	G	93.4	Very high	87.7	Confident	34 Å²	34	52.8 Å²	52.8	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-43.2	174	0	0	0	0	0	113	R109 G110 I111 L115 F116 V117	R109-G113 PolarHBondContact O-N 2.9Å; G110-G113 PolarHBondContact O-N 3.39Å; I111-G113 PolarHBondContact O-N 3.5Å; G113-L115 VanDerWaalsContact C-N 3.32Å; G113-L115 PolarHBondContact O-N 3.25Å; G113-F116 PolarHBondContact O-N 3.36Å; G113-V117 PolarHBondContact O-N 3.35Å
114	L	95.4	Very high	89.6	Confident	53 Å²	53	52.5 Å²	52.5	28%	0.277	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-34.1	178.9	-168.6	62.7	0	0	0	112.3	L86 I89 L93 G110 I111 G112 F116 V117 A118	L86-L114 HydrophobicContact CD2-CD1 4.14Å; I89-L114 HydrophobicContact CG2-CD2 4.21Å; L93-L114 HydrophobicContact CD1-CD2 4.48Å; G110-L114 PolarHBondContact O-N 2.86Å; I111-L114 PolarHBondContact O-N 2.93Å; G112-L114 PolarHBondContact O-N 3.21Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.45Å; L114-V117 WeakPolarHBondContact O-CB 3.3Å; L114-V117 PolarHBondContact O-N 3.5Å; L114-A118 PolarHBondContact O-N 3.4Å
115	L	96.4	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-35.4	173.8	-77.8	167.8	0	0	0	113.1	L19 L87 C90 I111 G112 G113 V117 A118 A119 E159 L162 F166	L19-L115 HydrophobicContact CD2-CD1 4.02Å; L19-L115 HydrophobicContact CD2-CD2 3.71Å; L87-L115 HydrophobicContact CD1-CD2 3.88Å; C90-L115 HydrophobicContact CB-CD2 3.71Å; C90-L115 HydrophobicContact CB-CG 4Å; I111-L115 HydrophobicContact CG2-CD1 4.31Å; I111-L115 WeakPolarHBondContact O-CG 3.35Å; I111-L115 PolarHBondContact O-N 3.28Å; G112-L115 PolarHBondContact O-N 2.88Å; G113-L115 VanDerWaalsContact C-N 3.32Å; G113-L115 PolarHBondContact O-N 3.25Å; L115-V117 VanDerWaalsContact C-N 3.33Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3.13Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.24Å; L115-E159 HydrophobicContact CD2-CG 4.45Å; L115-L162 HydrophobicContact CD1-CB 4.14Å; L115-F166 HydrophobicContact CD1-CD2 3.47Å; L115-F166 VanDerWaalsContact CD1-CD2 3.47Å; L115-F166 HydrophobicContact CD1-CE2 3.83Å
116	F	96.6	Very high	92.5	Very high	79 Å²	79	47.7 Å²	47.7	35%	0.346	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-39.3	172.8	-75.8	-67	0	0	0	112	G112 G113 L114 A118 A119 V120 I160 F164	G112-F116 WeakPolarHBondContact O-CD2 2.93Å; G112-F116 PolarHBondContact O-N 3.45Å; G113-F116 PolarHBondContact O-N 3.36Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.45Å; F116-A118 VanDerWaalsContact C-N 3.35Å; F116-A119 PolarHBondContact O-N 3.41Å; F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.26Å; F116-I160 HydrophobicContact CE1-CG2 4.28Å; F116-F164 HydrophobicContact CZ-CB 4.43Å
117	V	97.3	Very high	93.7	Very high	69 Å²	69	43.6 Å²	43.6	42%	0.418	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-43.8	174.8	-180	0	0	0	0	110.4	L86 G113 L114 L115 A119 V120 F121	L86-V117 HydrophobicContact CD1-CG1 4.02Å; G113-V117 PolarHBondContact O-N 3.35Å; L114-V117 WeakPolarHBondContact O-CB 3.3Å; L114-V117 PolarHBondContact O-N 3.5Å; L115-V117 VanDerWaalsContact C-N 3.33Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 2.94Å; V117-V120 PolarHBondContact O-N 3.23Å; V117-F121 HydrophobicContact CG1-CD2 4Å; V117-F121 HydrophobicContact CG1-CE2 3.78Å; V117-F121 VanDerWaalsContact O-CD2 3.27Å; V117-F121 WeakPolarHBondContact O-CD2 3.37Å; V117-F121 PolarHBondContact O-N 3.31Å
118	A	97.4	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.2	-48.6	173.7	0	0	0	0	0	111.5	L86 L114 L115 F116 V120 F121 S122	L86-A118 HydrophobicContact CB-CB 3.69Å; L86-A118 HydrophobicContact CD1-CB 4.43Å; L114-A118 PolarHBondContact O-N 3.4Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3.13Å; F116-A118 VanDerWaalsContact C-N 3.35Å; A118-V120 VanDerWaalsContact C-N 3.33Å; A118-V120 PolarHBondContact O-N 3.14Å; A118-F121 PolarHBondContact O-N 3.02Å; A118-F121 VanDerWaalsContact O-N 3.12Å; A118-S122 PolarHBondContact O-N 3.39Å; A118-S122 PolarHBondContact O-OG 3.23Å; A118-S122 VanDerWaalsContact O-OG 3.12Å
119	A	97.4	Very high	94.9	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-41.5	178.4	0	0	0	0	0	113.2	L115 F116 V117 F121 S122 I123 E159 I160	L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.24Å; F116-A119 PolarHBondContact O-N 3.41Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 2.94Å; A119-F121 PolarHBondContact O-N 2.94Å; A119-S122 PolarHBondContact O-N 3.02Å; A119-I123 WeakPolarHBondContact O-CB 3.4Å; A119-I123 WeakPolarHBondContact O-CD1 3.45Å; A119-I123 WeakPolarHBondContact O-CG1 3.5Å; A119-I123 PolarHBondContact O-N 2.95Å; A119-E159 WeakPolarHBondContact CA-OE2 3.42Å; A119-E159 HydrophobicContact CB-CB 3.83Å; A119-E159 PolarHBondContact N-OE2 2.98Å; A119-I160 HydrophobicContact CB-CD1 4.47Å; A119-I160 HydrophobicContact CB-CG1 3.71Å
120	V	97.8	Very high	95.1	Very high	85 Å²	85	33.9 Å²	33.9	52%	0.515	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-47.4	176.9	170.7	0	0	0	0	110.6	F116 V117 A118 I123 M124	F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.26Å; V117-V120 PolarHBondContact O-N 3.23Å; A118-V120 VanDerWaalsContact C-N 3.33Å; A118-V120 PolarHBondContact O-N 3.14Å; V120-I123 PolarHBondContact O-N 3.03Å; V120-M124 HydrophobicContact CG1-SD 4.19Å; V120-M124 VanDerWaalsContact O-CG 3.25Å; V120-M124 WeakPolarHBondContact O-CG 3.46Å; V120-M124 PolarHBondContact O-N 2.94Å
121	F	97.6	Very high	95.3	Very high	70 Å²	70	35.5 Å²	35.5	31%	0.307	20%	0.2	S	C	.	.	H	α-helix	trans	-64.9	-42.2	178.2	-79.6	-66.5	0	0	0	112.8	T79 V82 L86 V117 A118 A119 M124 G125	T79-F121 CarbonylContact C-O 3.25Å; T79-F121 CarbonylContact O-C 3.54Å; T79-F121 WeakPolarHBondContact O-CB 3.32Å; V82-F121 HydrophobicContact CB-CD1 4.48Å; V82-F121 HydrophobicContact CG1-CB 4.48Å; V82-F121 HydrophobicContact CG1-CD1 4.08Å; V82-F121 HydrophobicContact CG1-CD2 3.97Å; V82-F121 HydrophobicContact CG1-CE1 4.29Å; V82-F121 HydrophobicContact CG1-CE2 4.18Å; V82-F121 HydrophobicContact CG1-CG 3.93Å; V82-F121 HydrophobicContact CG1-CZ 4.34Å; L86-F121 HydrophobicContact CD1-CD2 3.93Å; L86-F121 HydrophobicContact CD1-CE2 4.31Å; V117-F121 HydrophobicContact CG1-CD2 4Å; V117-F121 HydrophobicContact CG1-CE2 3.78Å; V117-F121 VanDerWaalsContact O-CD2 3.27Å; V117-F121 WeakPolarHBondContact O-CD2 3.37Å; V117-F121 PolarHBondContact O-N 3.31Å; A118-F121 PolarHBondContact O-N 3.02Å; A118-F121 VanDerWaalsContact O-N 3.12Å; A119-F121 PolarHBondContact O-N 2.94Å; F121-M124 PolarHBondContact O-N 3Å; F121-G125 PolarHBondContact O-N 3.38Å
122	S	96.4	Very high	95.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-46.8	175	-61.2	0	0	0	0	111.6	A118 A119 G125 L126 E159	A118-S122 PolarHBondContact O-N 3.39Å; A118-S122 PolarHBondContact O-OG 3.23Å; A118-S122 VanDerWaalsContact O-OG 3.12Å; A119-S122 PolarHBondContact O-N 3.02Å; S122-G125 PolarHBondContact O-N 3.18Å; S122-L126 WeakPolarHBondContact O-CG 3.38Å; S122-L126 PolarHBondContact O-N 3.37Å; S122-E159 VanDerWaalsContact CB-OE2 3.26Å; S122-E159 WeakPolarHBondContact CB-OE2 3.13Å; S122-E159 PolarHBondContact OG-OE1 3.18Å; S122-E159 PolarHBondContact OG-OE2 3.04Å
123	I	97.3	Very high	95.1	Very high	54 Å²	54	38.8 Å²	38.8	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-41	178.8	-70.1	167.8	0	0	0	111.4	A119 V120 G125 L126 V127 A156 I160	A119-I123 WeakPolarHBondContact O-CB 3.4Å; A119-I123 WeakPolarHBondContact O-CD1 3.45Å; A119-I123 WeakPolarHBondContact O-CG1 3.5Å; A119-I123 PolarHBondContact O-N 2.95Å; V120-I123 PolarHBondContact O-N 3.03Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.04Å; I123-L126 PolarHBondContact O-N 3.29Å; I123-V127 HydrophobicContact CG2-CG2 4.06Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.08Å; I123-A156 HydrophobicContact CG1-CB 3.99Å; I123-I160 HydrophobicContact CD1-CD1 3.91Å
124	M	96.1	Very high	94.8	Very high	83 Å²	83	40 Å²	40	41%	0.409	22%	0.217	S	C	.	.	H	α-helix	trans	-55.5	-46.9	175.4	-75.2	175.6	70.5	0	0	111.1	T79 V120 F121 V127 I128	T79-M124 HydrophobicContact CG2-CB 4.39Å; T79-M124 HydrophobicContact CG2-CE 4.22Å; V120-M124 HydrophobicContact CG1-SD 4.19Å; V120-M124 VanDerWaalsContact O-CG 3.25Å; V120-M124 WeakPolarHBondContact O-CG 3.46Å; V120-M124 PolarHBondContact O-N 2.94Å; F121-M124 PolarHBondContact O-N 3Å; M124-V127 PolarHBondContact O-N 3.47Å; M124-I128 HydrophobicContact CB-CD1 4.46Å; M124-I128 WeakPolarHBondContact O-CB 3.39Å; M124-I128 WeakPolarHBondContact O-CD1 3.3Å; M124-I128 WeakPolarHBondContact O-CG1 3.25Å; M124-I128 PolarHBondContact O-N 2.88Å
125	G	93.5	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-44.8	176.2	0	0	0	0	0	113	T79 F121 S122 I123 V127 Y129	T79-G125 VanDerWaalsContact OG1-CA 3.27Å; T79-G125 WeakPolarHBondContact OG1-CA 3.25Å; T79-G125 PolarHBondContact OG1-N 3.43Å; F121-G125 PolarHBondContact O-N 3.38Å; S122-G125 PolarHBondContact O-N 3.18Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.04Å; G125-V127 VanDerWaalsContact C-N 3.28Å; G125-V127 PolarHBondContact O-N 3.12Å; G125-Y129 WeakPolarHBondContact O-CB 3.45Å; G125-Y129 PolarHBondContact O-N 3.35Å; G125-Y129 VanDerWaalsContact O-N 3.12Å
126	L	95	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-28.3	179.3	-75.3	162.4	0	0	0	113.9	W35 Y80 S122 I123 P130 Y149 W153 A156	W35-L126 HydrophobicContact CH2-CD2 4.11Å; W35-L126 HydrophobicContact CZ3-CD2 4.11Å; Y80-L126 HydrophobicContact CD2-CG 4.23Å; Y80-L126 HydrophobicContact CE2-CD1 4.3Å; Y80-L126 HydrophobicContact CE2-CD2 4.35Å; Y80-L126 HydrophobicContact CE2-CG 4.05Å; S122-L126 WeakPolarHBondContact O-CG 3.38Å; S122-L126 PolarHBondContact O-N 3.37Å; I123-L126 PolarHBondContact O-N 3.29Å; L126-P130 WeakPolarHBondContact O-CD 3.33Å; L126-P130 WeakPolarHBondContact O-CG 3.36Å; L126-Y149 HydrophobicContact CD2-CD2 3.93Å; L126-Y149 HydrophobicContact CD2-CE2 3.84Å; L126-Y149 PolarHBondContact O-OH 2.91Å; L126-W153 HydrophobicContact CB-CH2 4.38Å; L126-W153 HydrophobicContact CB-CZ2 3.94Å; L126-W153 HydrophobicContact CD1-CD2 4.01Å; L126-W153 HydrophobicContact CD1-CE3 4.13Å; L126-W153 HydrophobicContact CD1-CG 4.31Å; L126-W153 HydrophobicContact CD2-CD2 4.49Å; L126-W153 HydrophobicContact CD2-CG 4.28Å; L126-A156 HydrophobicContact CD1-CB 3.79Å
127	V	95.8	Very high	93.1	Very high	68 Å²	68	43.8 Å²	43.8	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-90	-41.6	178.8	174.5	0	0	0	0	111.4	I123 M124 G125 Y129 P130 V131 W153	I123-V127 HydrophobicContact CG2-CG2 4.06Å; I123-V127 WeakPolarHBondContact O-CG2 3.21Å; I123-V127 PolarHBondContact O-N 3.08Å; M124-V127 PolarHBondContact O-N 3.47Å; G125-V127 VanDerWaalsContact C-N 3.28Å; G125-V127 PolarHBondContact O-N 3.12Å; V127-Y129 VanDerWaalsContact C-N 3.32Å; V127-Y129 PolarHBondContact O-N 3.29Å; V127-P130 VanDerWaalsContact O-CD 3.3Å; V127-P130 WeakPolarHBondContact O-CD 3.38Å; V127-P130 WeakPolarHBondContact O-CG 3.39Å; V127-V131 HydrophobicContact CG1-CG2 4.33Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 3.44Å; V127-W153 HydrophobicContact CG2-CH2 4.23Å; V127-W153 HydrophobicContact CG2-CZ2 4.47Å
128	I	94.3	Very high	91.9	Very high	48 Å²	48	43.2 Å²	43.2	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-43.4	180	-67.3	165.1	0	0	0	110.3	A76 M124 K132	A76-I128 HydrophobicContact CB-CB 4.13Å; A76-I128 HydrophobicContact CB-CG2 3.86Å; M124-I128 HydrophobicContact CB-CD1 4.46Å; M124-I128 WeakPolarHBondContact O-CB 3.39Å; M124-I128 WeakPolarHBondContact O-CD1 3.3Å; M124-I128 WeakPolarHBondContact O-CG1 3.25Å; M124-I128 PolarHBondContact O-N 2.88Å; I128-K132 HydrophobicContact CG2-CG 4.08Å; I128-K132 WeakPolarHBondContact O-CB 3.29Å; I128-K132 PolarHBondContact O-N 3.3Å
129	Y	93	Very high	90.7	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-54.6	-62.1	-177.5	-176.3	-91.6	0	0	0	113.1	W35 S48 L49 L67 W72 G125 V127 V131 K132 F133 F145	W35-Y129 HydrophobicContact CB-CE1 3.88Å; W35-Y129 HydrophobicContact CD2-CE1 4.47Å; W35-Y129 AromaticContact CE3-CD1 3.66Å; W35-Y129 HydrophobicContact CE3-CD1 3.66Å; W35-Y129 HydrophobicContact CE3-CD2 4.32Å; W35-Y129 AromaticContact CE3-CE1 3.86Å; W35-Y129 HydrophobicContact CE3-CE1 3.86Å; W35-Y129 HydrophobicContact CE3-CE2 4.48Å; W35-Y129 AromaticContact CE3-CG 3.91Å; W35-Y129 HydrophobicContact CE3-CG 3.91Å; W35-Y129 HydrophobicContact CZ3-CD1 4.25Å; W35-Y129 HydrophobicContact CZ3-CG 4.17Å; S48-Y129 PolarHBondContact O-OH 3.2Å; L49-Y129 HydrophobicContact CD1-CD2 3.78Å; L49-Y129 HydrophobicContact CD1-CE2 4.22Å; L49-Y129 HydrophobicContact CD1-CG 4.44Å; L67-Y129 HydrophobicContact CD2-CE2 3.8Å; W72-Y129 HydrophobicContact CZ3-CD2 4.42Å; G125-Y129 WeakPolarHBondContact O-CB 3.45Å; G125-Y129 PolarHBondContact O-N 3.35Å; G125-Y129 VanDerWaalsContact O-N 3.12Å; V127-Y129 VanDerWaalsContact C-N 3.32Å; V127-Y129 PolarHBondContact O-N 3.29Å; Y129-V131 PolarHBondContact O-N 2.87Å; Y129-K132 PolarHBondContact O-N 3.43Å; Y129-F133 HydrophobicContact CE1-CD2 4.31Å; Y129-F133 HydrophobicContact CE2-CD2 4.19Å; Y129-F133 AromaticContact CZ-CD2 3.85Å; Y129-F133 WeakPolarHBondContact O-CB 3.31Å; Y129-F133 PolarHBondContact O-N 3.47Å; Y129-F145 HydrophobicContact CD1-CE1 4.23Å; Y129-F145 HydrophobicContact CE1-CE1 4.14Å
130	P	92.1	Very high	89.2	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.104	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-38.1	-177.7	28	-38.3	0	0	0	113.1	L126 V127 S134 F145 Y149	L126-P130 WeakPolarHBondContact O-CD 3.33Å; L126-P130 WeakPolarHBondContact O-CG 3.36Å; V127-P130 VanDerWaalsContact O-CD 3.3Å; V127-P130 WeakPolarHBondContact O-CD 3.38Å; V127-P130 WeakPolarHBondContact O-CG 3.39Å; P130-S134 WeakPolarHBondContact O-CB 3.43Å; P130-S134 PolarHBondContact O-N 3.09Å; P130-S134 PolarHBondContact O-OG 3.46Å; P130-F145 HydrophobicContact CB-CE1 3.68Å; P130-F145 HydrophobicContact CB-CE2 3.9Å; P130-F145 HydrophobicContact CB-CZ 3.28Å; P130-Y149 HydrophobicContact CG-CE2 4.42Å
131	V	93.2	Very high	87.9	Confident	79 Å²	79	50.3 Å²	50.3	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-44.7	-178.2	173.6	0	0	0	0	111.1	V127 Y129 S134 T135	V127-V131 HydrophobicContact CG1-CG2 4.33Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 3.44Å; Y129-V131 PolarHBondContact O-N 2.87Å; V131-S134 PolarHBondContact O-OG 3.16Å; V131-T135 WeakPolarHBondContact O-CG2 3.45Å; V131-T135 PolarHBondContact O-OG1 3.26Å
132	K	92.1	Very high	86.9	Confident	67 Å²	67	51.6 Å²	51.6	29%	0.291	31%	0.31	S	S	.	.	H	α-helix	trans	-82.5	-33.5	-178.8	-63.3	-66	-74.4	162.8	0	112.5	W72 I128 Y129 S134 T135 E136	W72-K132 HydrophobicContact CB-CB 3.97Å; W72-K132 HydrophobicContact CB-CG 3.95Å; W72-K132 HydrophobicContact CD2-CB 3.5Å; W72-K132 HydrophobicContact CD2-CG 4.46Å; W72-K132 HydrophobicContact CE3-CB 3.53Å; W72-K132 HydrophobicContact CG-CB 3.71Å; W72-K132 HydrophobicContact CG-CG 4.22Å; W72-K132 HydrophobicContact CZ3-CB 4.23Å; I128-K132 HydrophobicContact CG2-CG 4.08Å; I128-K132 WeakPolarHBondContact O-CB 3.29Å; I128-K132 PolarHBondContact O-N 3.3Å; Y129-K132 PolarHBondContact O-N 3.43Å; K132-S134 VanDerWaalsContact C-N 3.35Å; K132-S134 PolarHBondContact O-N 3.21Å; K132-T135 WeakPolarHBondContact CA-OG1 3.45Å; K132-T135 PolarHBondContact O-N 3.43Å; K132-T135 PolarHBondContact O-OG1 3.23Å; K132-E136 IonicContact NZ-OE1 2.67Å; K132-E136 PolarHBondContact NZ-OE1 3.4Å; K132-E136 WeakPolarHBondContact O-CB 3.47Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 2.95Å
133	F	88.3	Confident	86.1	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-44.1	174	-164.5	-74.8	0	0	0	111.3	L36 A47 L67 W72 Y129 T135 I137 M139	L36-F133 HydrophobicContact CD1-CD1 3.77Å; L36-F133 HydrophobicContact CD1-CE1 3.61Å; L36-F133 HydrophobicContact CD1-CZ 4.32Å; L36-F133 HydrophobicContact CD2-CE1 4.1Å; L36-F133 HydrophobicContact CD2-CZ 4.29Å; L36-F133 HydrophobicContact CG-CE1 4.44Å; A47-F133 HydrophobicContact CB-CE2 3.73Å; A47-F133 HydrophobicContact CB-CZ 3.76Å; L67-F133 HydrophobicContact CD1-CE2 4.49Å; L67-F133 HydrophobicContact CD2-CD2 3.95Å; L67-F133 HydrophobicContact CD2-CE2 3.99Å; W72-F133 HydrophobicContact CH2-CB 4.08Å; W72-F133 AromaticContact CH2-CD2 3.92Å; W72-F133 HydrophobicContact CH2-CD2 3.92Å; W72-F133 HydrophobicContact CH2-CG 4.4Å; W72-F133 HydrophobicContact CZ3-CB 4.4Å; Y129-F133 HydrophobicContact CE1-CD2 4.31Å; Y129-F133 HydrophobicContact CE2-CD2 4.19Å; Y129-F133 AromaticContact CZ-CD2 3.85Å; Y129-F133 WeakPolarHBondContact O-CB 3.31Å; Y129-F133 PolarHBondContact O-N 3.47Å; F133-T135 VanDerWaalsContact C-N 3.29Å; F133-T135 PolarHBondContact O-N 2.93Å; F133-I137 HydrophobicContact CD1-CB 4.36Å; F133-I137 HydrophobicContact CD2-CD1 3.77Å; F133-I137 HydrophobicContact CE1-CB 4.31Å; F133-I137 HydrophobicContact CE1-CG2 4.02Å; F133-I137 HydrophobicContact CE2-CD1 3.65Å; F133-I137 HydrophobicContact CG-CD1 4.25Å; F133-I137 HydrophobicContact CZ-CD1 4.07Å; F133-I137 HydrophobicContact CZ-CG2 4.1Å; F133-I137 WeakPolarHBondContact O-CB 3.39Å; F133-I137 PolarHBondContact O-N 3.33Å; F133-M139 HydrophobicContact CD1-SD 4.43Å; F133-M139 HydrophobicContact CE1-CG 4.36Å
134	S	87.4	Confident	85.7	Confident	59 Å²	59	54 Å²	54	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-70.9	-20.4	-179.2	56.4	0	0	0	0	114.9	P130 V131 K132	P130-S134 WeakPolarHBondContact O-CB 3.43Å; P130-S134 PolarHBondContact O-N 3.09Å; P130-S134 PolarHBondContact O-OG 3.46Å; V131-S134 PolarHBondContact O-OG 3.16Å; K132-S134 VanDerWaalsContact C-N 3.35Å; K132-S134 PolarHBondContact O-N 3.21Å
135	T	86.8	Confident	85.3	Confident	95 Å²	95	54 Å²	54	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-97.7	-39.3	-177.5	46.1	0	0	0	0	113.2	V131 K132 F133	V131-T135 WeakPolarHBondContact O-CG2 3.45Å; V131-T135 PolarHBondContact O-OG1 3.26Å; K132-T135 WeakPolarHBondContact CA-OG1 3.45Å; K132-T135 PolarHBondContact O-N 3.43Å; K132-T135 PolarHBondContact O-OG1 3.23Å; F133-T135 VanDerWaalsContact C-N 3.29Å; F133-T135 PolarHBondContact O-N 2.93Å
136	E	84.3	Confident	85.1	Confident	102 Å²	102	55.2 Å²	55.2	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-93.7	-30	-173.9	-56.9	-70	175.3	0	0	112.5	K132	K132-E136 IonicContact NZ-OE1 2.67Å; K132-E136 PolarHBondContact NZ-OE1 3.4Å; K132-E136 WeakPolarHBondContact O-CB 3.47Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 2.95Å
137	I	82.6	Confident	84.9	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.082	35%	0.349	C	S	.	.	S	Bend	trans	-104.8	109.8	-175.7	-64.7	178.1	0	0	0	108.3	L67 W72 F133 M139	L67-I137 HydrophobicContact CD1-CD1 4.21Å; L67-I137 HydrophobicContact CG-CD1 4.36Å; W72-I137 HydrophobicContact CH2-CD1 3.93Å; W72-I137 HydrophobicContact CZ2-CD1 3.69Å; W72-I137 HydrophobicContact CZ2-CG1 4.13Å; F133-I137 HydrophobicContact CD1-CB 4.36Å; F133-I137 HydrophobicContact CD2-CD1 3.77Å; F133-I137 HydrophobicContact CE1-CB 4.31Å; F133-I137 HydrophobicContact CE1-CG2 4.02Å; F133-I137 HydrophobicContact CE2-CD1 3.65Å; F133-I137 HydrophobicContact CG-CD1 4.25Å; F133-I137 HydrophobicContact CZ-CD1 4.07Å; F133-I137 HydrophobicContact CZ-CG2 4.1Å; F133-I137 WeakPolarHBondContact O-CB 3.39Å; F133-I137 PolarHBondContact O-N 3.33Å; I137-M139 PolarHBondContact O-N 2.94Å
138	G	72.7	Confident	84.8	Confident	57 Å²	57	57.5 Å²	57.5	59%	0.588	33%	0.329	S	S	*	.			trans	-57.9	111.3	174.9	0	0	0	0	0	110.6	R54	R54-G138 PolarHBondContact NH1-O 2.91Å; R54-G138 PolarHBondContact NH2-O 3.34Å
139	M	70.8	Confident	84.7	Confident	84 Å²	84	56.9 Å²	56.9	41%	0.414	32%	0.324	S	S	.	.			trans	-87.5	120.5	179.9	-74.4	-173.9	-64.3	0	0	109.7	L36 F133 I137 N143	L36-M139 HydrophobicContact CD1-SD 4.33Å; F133-M139 HydrophobicContact CD1-SD 4.43Å; F133-M139 HydrophobicContact CE1-CG 4.36Å; I137-M139 PolarHBondContact O-N 2.94Å; M139-N143 WeakPolarHBondContact CB-ND2 3.41Å; M139-N143 HydrophobicContact SD-CB 4.31Å
140	T	66.1	Low	84.8	Confident	87 Å²	87	58.3 Å²	58.3	53%	0.534	34%	0.34	S	S	.	.			trans	-97.9	125.4	171.8	37.4	0	0	0	0	109.9	H45	H45-T140 PolarHBondContact CD2-O 2.95Å; H45-T140 PolarHBondContact CE1-OG1 2.99Å; H45-T140 PolarHBondContact NE2-OG1 2.71Å
141	G	70.4	Confident	84.9	Confident	65 Å²	65	60.4 Å²	60.4	67%	0.67	35%	0.347	S	S	*	.	S	Bend	trans	82.6	-171.5	-178.8	0	0	0	0	0	114.7
142	I	76	Confident	85	Confident	97 Å²	97	56.7 Å²	56.7	50%	0.497	32%	0.324	S	S	.	.			trans	-85.8	113.7	178.7	-54.6	175.2	0	0	0	108.2	Q39 T40	Q39-I142 HydrophobicContact CB-CB 4.42Å; Q39-I142 HydrophobicContact CB-CG2 3.96Å; Q39-I142 PolarHBondContact N-O 3.48Å; T40-I142 HydrophobicContact CG2-CD1 4.15Å
143	N	81.2	Confident	85.2	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.193	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.2	177.2	-64.4	-49.6	0	0	0	110.3	L36 S38 M139	L36-N143 HydrophobicContact CD1-CB 4.34Å; L36-N143 HydrophobicContact CD2-CB 3.97Å; L36-N143 HydrophobicContact CG-CB 4.2Å; S38-N143 WeakPolarHBondContact CA-OD1 3.23Å; M139-N143 WeakPolarHBondContact CB-ND2 3.41Å; M139-N143 HydrophobicContact SD-CB 4.31Å
144	M	87.2	Confident	85.6	Confident	70 Å²	70	60 Å²	60	35%	0.345	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.7	177.8	61.5	179.5	-179.6	0	0	110.3	L36 E37 Q39 S146	L36-M144 WeakPolarHBondContact CA-O 3.26Å; E37-M144 PolarHBondContact N-O 3.36Å; E37-M144 WeakPolarHBondContact O-CG 3.2Å; E37-M144 PolarHBondContact O-N 3.04Å; E37-M144 VanDerWaalsContact O-O 3.12Å; Q39-M144 HydrophobicContact CB-CB 4.4Å; Q39-M144 HydrophobicContact CB-CG 4.05Å; Q39-M144 HydrophobicContact CB-SD 3.94Å; Q39-M144 HydrophobicContact CG-CG 4.48Å; Q39-M144 HydrophobicContact CG-SD 3.77Å; M144-S146 PolarHBondContact O-N 3.2Å
145	F	88.4	Confident	86	Confident	85 Å²	85	57.2 Å²	57.2	37%	0.373	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.5	166.1	-64	-78.1	0	0	0	108.6	W35 L36 Y129 P130 Y149	W35-F145 VanDerWaalsContact O-CA 3.31Å; W35-F145 WeakPolarHBondContact O-CA 3.46Å; W35-F145 WeakPolarHBondContact O-CD1 3.36Å; L36-F145 HydrophobicContact CB-CD1 4.32Å; L36-F145 HydrophobicContact CB-CE1 4.47Å; L36-F145 HydrophobicContact CD1-CD1 4.39Å; L36-F145 HydrophobicContact CD1-CE1 3.92Å; L36-F145 HydrophobicContact CD1-CZ 4.23Å; Y129-F145 HydrophobicContact CD1-CE1 4.23Å; Y129-F145 HydrophobicContact CE1-CE1 4.14Å; P130-F145 HydrophobicContact CB-CE1 3.68Å; P130-F145 HydrophobicContact CB-CE2 3.9Å; P130-F145 HydrophobicContact CB-CZ 3.28Å; F145-Y149 HydrophobicContact CB-CD1 3.41Å; F145-Y149 VanDerWaalsContact CB-CD1 3.41Å; F145-Y149 HydrophobicContact CB-CE1 3.88Å; F145-Y149 HydrophobicContact CB-CG 3.99Å; F145-Y149 HydrophobicContact CD1-CD1 4.23Å; F145-Y149 HydrophobicContact CD1-CD2 4.48Å; F145-Y149 HydrophobicContact CD1-CE1 4.36Å; F145-Y149 HydrophobicContact CD1-CG 4.24Å; F145-Y149 AromaticContact CG-CD1 3.94Å; F145-Y149 HydrophobicContact CG-CD1 3.94Å; F145-Y149 HydrophobicContact CG-CE1 4.01Å; F145-Y149 HydrophobicContact CG-CG 4.39Å
146	S	89.9	Confident	86.5	Confident	25 Å²	25	52.8 Å²	52.8	18%	0.175	30%	0.295	C	S	.	.			trans	-102.6	-159.2	-167.7	-167.6	0	0	0	0	111.2	G34 W35 E37 M144 A148 Y149 G150	G34-S146 CarbonylContact O-C 3.55Å; G34-S146 VanDerWaalsContact O-C 3.25Å; G34-S146 WeakPolarHBondContact O-CB 3.26Å; W35-S146 PolarHBondContact O-N 2.9Å; E37-S146 VanDerWaalsContact OE2-CB 3.26Å; E37-S146 WeakPolarHBondContact OE2-CB 3.3Å; E37-S146 PolarHBondContact OE2-OG 3.07Å; M144-S146 PolarHBondContact O-N 3.2Å; S146-A148 PolarHBondContact O-N 2.88Å; S146-Y149 PolarHBondContact O-N 3.39Å; S146-G150 PolarHBondContact O-N 2.72Å
147	W	90.7	Very high	87.1	Confident	115 Å²	115	52.5 Å²	52.5	44%	0.436	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-41.7	-168.7	59.7	-89.3	0	0	0	114.6	I28 G32 G34 Y149 G150 F151	I28-W147 HydrophobicContact CG2-CE3 4.16Å; I28-W147 HydrophobicContact CG2-CZ3 3.59Å; G32-W147 VanDerWaalsContact CA-CH2 3.45Å; G34-W147 PolarHBondContact O-N 3.01Å; W147-Y149 VanDerWaalsContact C-N 3.33Å; W147-Y149 PolarHBondContact O-N 3.31Å; W147-G150 PolarHBondContact O-N 2.86Å; W147-G150 VanDerWaalsContact O-N 3.16Å; W147-F151 AromaticContact CE3-CD2 3.9Å; W147-F151 HydrophobicContact CE3-CD2 3.9Å; W147-F151 HydrophobicContact CE3-CE2 4.01Å; W147-F151 WeakPolarHBondContact O-CD2 3.35Å; W147-F151 PolarHBondContact O-N 2.67Å
148	A	92.6	Very high	87.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.9	-35.7	-174.6	0	0	0	0	0	111.5	G34 W35 S146 G150 F151 G152	G34-A148 VanDerWaalsContact C-CB 3.5Å; G34-A148 WeakPolarHBondContact O-CB 3.02Å; G34-A148 PolarHBondContact O-N 3.46Å; W35-A148 HydrophobicContact CG-CB 4.39Å; S146-A148 PolarHBondContact O-N 2.88Å; A148-G150 VanDerWaalsContact C-N 3.35Å; A148-F151 PolarHBondContact O-N 2.95Å; A148-G152 PolarHBondContact O-N 3.4Å; A148-G152 VanDerWaalsContact O-N 3.07Å
149	Y	93.1	Very high	88.8	Confident	35 Å²	35	50.6 Å²	50.6	14%	0.137	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-39.4	172.9	-179	-111.2	0	0	0	111.6	W35 L126 P130 F145 S146 W147 F151 G152 W153	W35-Y149 AromaticContact CE3-CD2 3.68Å; W35-Y149 HydrophobicContact CE3-CD2 3.68Å; W35-Y149 AromaticContact CZ3-CD2 3.79Å; W35-Y149 HydrophobicContact CZ3-CD2 3.79Å; W35-Y149 HydrophobicContact CZ3-CE2 4.36Å; L126-Y149 HydrophobicContact CD2-CD2 3.93Å; L126-Y149 HydrophobicContact CD2-CE2 3.84Å; L126-Y149 PolarHBondContact O-OH 2.91Å; P130-Y149 HydrophobicContact CG-CE2 4.42Å; F145-Y149 HydrophobicContact CB-CD1 3.41Å; F145-Y149 VanDerWaalsContact CB-CD1 3.41Å; F145-Y149 HydrophobicContact CB-CE1 3.88Å; F145-Y149 HydrophobicContact CB-CG 3.99Å; F145-Y149 HydrophobicContact CD1-CD1 4.23Å; F145-Y149 HydrophobicContact CD1-CD2 4.48Å; F145-Y149 HydrophobicContact CD1-CE1 4.36Å; F145-Y149 HydrophobicContact CD1-CG 4.24Å; F145-Y149 AromaticContact CG-CD1 3.94Å; F145-Y149 HydrophobicContact CG-CD1 3.94Å; F145-Y149 HydrophobicContact CG-CE1 4.01Å; F145-Y149 HydrophobicContact CG-CG 4.39Å; S146-Y149 PolarHBondContact O-N 3.39Å; W147-Y149 VanDerWaalsContact C-N 3.33Å; W147-Y149 PolarHBondContact O-N 3.31Å; Y149-F151 PolarHBondContact O-N 2.78Å; Y149-G152 PolarHBondContact O-N 2.94Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; Y149-W153 AromaticContact CD1-CD1 3.85Å; Y149-W153 AromaticContact CD1-NE1 3.98Å; Y149-W153 AromaticContact CE1-CD1 3.54Å; Y149-W153 AromaticContact CE1-NE1 3.22Å; Y149-W153 AromaticContact CE2-NE1 3.5Å; Y149-W153 AromaticContact CZ-CD1 3.66Å; Y149-W153 AromaticContact CZ-NE1 2.95Å; Y149-W153 PolarHBondContact O-N 2.84Å; Y149-W153 VanDerWaalsContact O-N 3.08Å; Y149-W153 PolarHBondContact OH-NE1 3.07Å
150	G	94.4	Very high	90	Very high	32 Å²	32	49.9 Å²	49.9	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-41.1	172.8	0	0	0	0	0	113.2	S146 W147 A148 G152 W153 T154	S146-G150 PolarHBondContact O-N 2.72Å; W147-G150 PolarHBondContact O-N 2.86Å; W147-G150 VanDerWaalsContact O-N 3.16Å; A148-G150 VanDerWaalsContact C-N 3.35Å; G150-G152 VanDerWaalsContact C-N 3.3Å; G150-G152 PolarHBondContact O-N 3.43Å; G150-W153 PolarHBondContact O-N 3.19Å; G150-T154 WeakPolarHBondContact O-CB 3.09Å; G150-T154 PolarHBondContact O-N 3.37Å; G150-T154 PolarHBondContact O-OG1 2.93Å
151	F	95.7	Very high	91.4	Very high	60 Å²	60	48.7 Å²	48.7	26%	0.263	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-35.5	173.2	-79.5	-68.4	0	0	0	112.5	F25 I28 A29 W147 A148 Y149 T154 T155	F25-F151 HydrophobicContact CB-CD1 3.99Å; F25-F151 AromaticContact CD1-CD1 3.5Å; F25-F151 HydrophobicContact CD1-CD1 3.5Å; F25-F151 AromaticContact CD1-CE1 3.51Å; F25-F151 HydrophobicContact CD1-CE1 3.51Å; F25-F151 HydrophobicContact CD2-CD1 4.47Å; F25-F151 HydrophobicContact CE1-CD1 4.06Å; F25-F151 AromaticContact CE1-CE1 3.62Å; F25-F151 HydrophobicContact CE1-CE1 3.62Å; F25-F151 AromaticContact CG-CD1 3.74Å; F25-F151 HydrophobicContact CG-CD1 3.74Å; F25-F151 HydrophobicContact CG-CE1 4.18Å; F25-F151 HydrophobicContact CZ-CE1 4.34Å; I28-F151 HydrophobicContact CG2-CB 4.39Å; I28-F151 HydrophobicContact CG2-CD2 3.57Å; I28-F151 HydrophobicContact CG2-CE2 3.89Å; I28-F151 HydrophobicContact CG2-CG 3.91Å; I28-F151 HydrophobicContact CG2-CZ 4.49Å; A29-F151 HydrophobicContact CB-CB 4.28Å; W147-F151 AromaticContact CE3-CD2 3.9Å; W147-F151 HydrophobicContact CE3-CD2 3.9Å; W147-F151 HydrophobicContact CE3-CE2 4.01Å; W147-F151 WeakPolarHBondContact O-CD2 3.35Å; W147-F151 PolarHBondContact O-N 2.67Å; A148-F151 PolarHBondContact O-N 2.95Å; Y149-F151 PolarHBondContact O-N 2.78Å; F151-T154 PolarHBondContact O-N 3.49Å; F151-T155 PolarHBondContact O-N 3.34Å; F151-T155 PolarHBondContact O-OG1 2.76Å
152	G	95.3	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.6	0	0	0	0	0	112.5	Y80 A148 Y149 G150 T154 T155 A156	Y80-G152 VanDerWaalsContact OH-CA 3.25Å; Y80-G152 WeakPolarHBondContact OH-CA 2.87Å; A148-G152 PolarHBondContact O-N 3.4Å; A148-G152 VanDerWaalsContact O-N 3.07Å; Y149-G152 PolarHBondContact O-N 2.94Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; G150-G152 VanDerWaalsContact C-N 3.3Å; G150-G152 PolarHBondContact O-N 3.43Å; G152-T154 VanDerWaalsContact C-N 3.33Å; G152-T154 PolarHBondContact O-N 2.85Å; G152-T155 WeakPolarHBondContact O-CB 3.18Å; G152-T155 PolarHBondContact O-N 3.39Å; G152-A156 PolarHBondContact O-N 3.33Å; G152-A156 VanDerWaalsContact O-N 3.09Å
153	W	96.1	Very high	93.3	Very high	84 Å²	84	41.3 Å²	41.3	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-40.7	173.3	-82.6	105.2	0	0	0	113.2	L126 V127 Y149 G150 T155 A156 I157	L126-W153 HydrophobicContact CB-CH2 4.38Å; L126-W153 HydrophobicContact CB-CZ2 3.94Å; L126-W153 HydrophobicContact CD1-CD2 4.01Å; L126-W153 HydrophobicContact CD1-CE3 4.13Å; L126-W153 HydrophobicContact CD1-CG 4.31Å; L126-W153 HydrophobicContact CD2-CD2 4.49Å; L126-W153 HydrophobicContact CD2-CG 4.28Å; V127-W153 HydrophobicContact CG2-CH2 4.23Å; V127-W153 HydrophobicContact CG2-CZ2 4.47Å; Y149-W153 AromaticContact CD1-CD1 3.85Å; Y149-W153 AromaticContact CD1-NE1 3.98Å; Y149-W153 AromaticContact CE1-CD1 3.54Å; Y149-W153 AromaticContact CE1-NE1 3.22Å; Y149-W153 AromaticContact CE2-NE1 3.5Å; Y149-W153 AromaticContact CZ-CD1 3.66Å; Y149-W153 AromaticContact CZ-NE1 2.95Å; Y149-W153 PolarHBondContact O-N 2.84Å; Y149-W153 VanDerWaalsContact O-N 3.08Å; Y149-W153 PolarHBondContact OH-NE1 3.07Å; G150-W153 PolarHBondContact O-N 3.19Å; W153-T155 VanDerWaalsContact C-N 3.27Å; W153-T155 PolarHBondContact O-N 3.08Å; W153-A156 PolarHBondContact O-N 2.83Å; W153-I157 WeakPolarHBondContact O-CG1 3.29Å; W153-I157 PolarHBondContact O-N 3.08Å
154	T	96.2	Very high	93.9	Very high	56 Å²	56	45.6 Å²	45.6	34%	0.344	23%	0.226	S	C	.	.	H	α-helix	trans	-60.6	-41.4	177.2	-55.2	0	0	0	0	110.7	F25 G150 F151 G152 I157 M158	F25-T154 HydrophobicContact CD2-CG2 3.8Å; F25-T154 HydrophobicContact CE2-CG2 3.96Å; G150-T154 WeakPolarHBondContact O-CB 3.09Å; G150-T154 PolarHBondContact O-N 3.37Å; G150-T154 PolarHBondContact O-OG1 2.93Å; F151-T154 PolarHBondContact O-N 3.49Å; G152-T154 VanDerWaalsContact C-N 3.33Å; G152-T154 PolarHBondContact O-N 2.85Å; T154-I157 PolarHBondContact O-N 2.99Å; T154-M158 HydrophobicContact CG2-SD 4.41Å; T154-M158 WeakPolarHBondContact O-CB 3.41Å; T154-M158 VanDerWaalsContact O-CG 3.31Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 3.16Å
155	T	96	Very high	94	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-48.9	175.8	-52.8	0	0	0	0	111.2	F25 G26 L87 F151 G152 W153 I157 M158 E159	F25-T155 WeakPolarHBondContact CB-OG1 3.47Å; G26-T155 PolarHBondContact N-OG1 3.35Å; L87-T155 HydrophobicContact CD2-CG2 3.59Å; F151-T155 PolarHBondContact O-N 3.34Å; F151-T155 PolarHBondContact O-OG1 2.76Å; G152-T155 WeakPolarHBondContact O-CB 3.18Å; G152-T155 PolarHBondContact O-N 3.39Å; W153-T155 VanDerWaalsContact C-N 3.27Å; W153-T155 PolarHBondContact O-N 3.08Å; T155-I157 PolarHBondContact O-N 3.48Å; T155-M158 PolarHBondContact O-N 2.83Å; T155-E159 WeakPolarHBondContact O-CG 3.38Å; T155-E159 PolarHBondContact O-N 3.45Å
156	A	96.4	Very high	94	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-41.2	178.5	0	0	0	0	0	113.3	I123 L126 G152 W153 M158 E159 I160	I123-A156 HydrophobicContact CG1-CB 3.99Å; L126-A156 HydrophobicContact CD1-CB 3.79Å; G152-A156 PolarHBondContact O-N 3.33Å; G152-A156 VanDerWaalsContact O-N 3.09Å; W153-A156 PolarHBondContact O-N 2.83Å; A156-M158 VanDerWaalsContact C-N 3.33Å; A156-E159 WeakPolarHBondContact O-CB 3.09Å; A156-E159 PolarHBondContact O-N 3.33Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 3.16Å; A156-I160 VanDerWaalsContact O-N 3.14Å
157	I	96.6	Very high	93.9	Very high	96 Å²	96	44 Å²	44	49%	0.492	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-41.8	176.3	-68.4	166.6	0	0	0	110.2	W153 T154 T155 I160 C161	W153-I157 WeakPolarHBondContact O-CG1 3.29Å; W153-I157 PolarHBondContact O-N 3.08Å; T154-I157 PolarHBondContact O-N 2.99Å; T155-I157 PolarHBondContact O-N 3.48Å; I157-I160 PolarHBondContact O-N 3.26Å; I157-C161 WeakPolarHBondContact O-CB 3.43Å; I157-C161 PolarHBondContact O-N 3.33Å; I157-C161 PolarHBondContact O-SG 3.43Å; I157-C161 VanDerWaalsContact O-SG 3.33Å
158	M	95.6	Very high	93.6	Very high	32 Å²	32	40.1 Å²	40.1	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-41.5	176.2	-76.8	-174.1	60.2	0	0	112.2	L18 I21 F25 T154 T155 A156 I160 C161 L162	L18-M158 HydrophobicContact CB-CE 4.4Å; L18-M158 WeakPolarHBondContact O-CE 3.49Å; I21-M158 HydrophobicContact CB-CE 4.42Å; I21-M158 HydrophobicContact CG2-CE 4.39Å; F25-M158 HydrophobicContact CD2-SD 3.99Å; F25-M158 HydrophobicContact CE2-SD 4.14Å; T154-M158 HydrophobicContact CG2-SD 4.41Å; T154-M158 WeakPolarHBondContact O-CB 3.41Å; T154-M158 VanDerWaalsContact O-CG 3.31Å; T154-M158 WeakPolarHBondContact O-CG 3.3Å; T154-M158 PolarHBondContact O-N 3.16Å; T155-M158 PolarHBondContact O-N 2.83Å; A156-M158 VanDerWaalsContact C-N 3.33Å; M158-I160 VanDerWaalsContact C-N 3.31Å; M158-I160 PolarHBondContact O-N 2.8Å; M158-C161 PolarHBondContact O-N 3.02Å; M158-L162 HydrophobicContact CB-CD1 4.43Å; M158-L162 HydrophobicContact CE-CD1 4.14Å; M158-L162 WeakPolarHBondContact O-CB 3.36Å; M158-L162 VanDerWaalsContact O-CG 3.25Å; M158-L162 WeakPolarHBondContact O-CG 3.19Å; M158-L162 PolarHBondContact O-N 3.33Å
159	E	96.6	Very high	93	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-45.1	174.5	-73.2	166.3	165.9	0	0	111.4	L87 L115 A119 S122 T155 A156 G163	L87-E159 HydrophobicContact CD1-CG 4Å; L87-E159 HydrophobicContact CD2-CG 4.48Å; L115-E159 HydrophobicContact CD2-CG 4.45Å; A119-E159 WeakPolarHBondContact CA-OE2 3.42Å; A119-E159 HydrophobicContact CB-CB 3.83Å; A119-E159 PolarHBondContact N-OE2 2.98Å; S122-E159 VanDerWaalsContact CB-OE2 3.26Å; S122-E159 WeakPolarHBondContact CB-OE2 3.13Å; S122-E159 PolarHBondContact OG-OE1 3.18Å; S122-E159 PolarHBondContact OG-OE2 3.04Å; T155-E159 WeakPolarHBondContact O-CG 3.38Å; T155-E159 PolarHBondContact O-N 3.45Å; A156-E159 WeakPolarHBondContact O-CB 3.09Å; A156-E159 PolarHBondContact O-N 3.33Å; E159-G163 WeakPolarHBondContact O-CA 3.35Å; E159-G163 PolarHBondContact O-N 2.98Å
160	I	96.4	Very high	92.3	Very high	69 Å²	69	41.3 Å²	41.3	35%	0.354	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-51.3	177.7	-66.8	169.7	0	0	0	111.5	F116 A119 I123 A156 I157 M158 L162 G163 F164	F116-I160 HydrophobicContact CE1-CG2 4.28Å; A119-I160 HydrophobicContact CB-CD1 4.47Å; A119-I160 HydrophobicContact CB-CG1 3.71Å; I123-I160 HydrophobicContact CD1-CD1 3.91Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 3.16Å; A156-I160 VanDerWaalsContact O-N 3.14Å; I157-I160 PolarHBondContact O-N 3.26Å; M158-I160 VanDerWaalsContact C-N 3.31Å; M158-I160 PolarHBondContact O-N 2.8Å; I160-L162 PolarHBondContact O-N 2.05Å; I160-G163 PolarHBondContact O-N 2.98Å; I160-F164 PolarHBondContact O-N 3.16Å
161	C	94.9	Very high	91.5	Very high	62 Å²	62	44.9 Å²	44.9	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-48	-177.7	-72.5	0	0	0	0	111	I157 M158 F164 F165	I157-C161 WeakPolarHBondContact O-CB 3.43Å; I157-C161 PolarHBondContact O-N 3.33Å; I157-C161 PolarHBondContact O-SG 3.43Å; I157-C161 VanDerWaalsContact O-SG 3.33Å; M158-C161 PolarHBondContact O-N 3.02Å; C161-F164 PolarHBondContact O-N 2.85Å; C161-F165 WeakPolarHBondContact O-CD2 3.35Å; C161-F165 PolarHBondContact O-N 3.47Å
162	L	93.4	Very high	90.5	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-37.2	178.2	-67.2	168.7	0	0	0	111.1	L15 L18 L19 L115 M158 I160 F164 F165 F166	L15-L162 HydrophobicContact CD2-CD2 4.02Å; L18-L162 HydrophobicContact CB-CD1 4.13Å; L18-L162 HydrophobicContact CB-CD2 3.93Å; L18-L162 HydrophobicContact CD1-CD2 4.12Å; L19-L162 HydrophobicContact CD2-CB 4.41Å; L19-L162 HydrophobicContact CD2-CD1 3.64Å; L19-L162 HydrophobicContact CG-CD1 3.91Å; L115-L162 HydrophobicContact CD1-CB 4.14Å; M158-L162 HydrophobicContact CB-CD1 4.43Å; M158-L162 HydrophobicContact CE-CD1 4.14Å; M158-L162 WeakPolarHBondContact O-CB 3.36Å; M158-L162 VanDerWaalsContact O-CG 3.25Å; M158-L162 WeakPolarHBondContact O-CG 3.19Å; M158-L162 PolarHBondContact O-N 3.33Å; I160-L162 PolarHBondContact O-N 2.05Å; L162-F164 VanDerWaalsContact C-N 3.31Å; L162-F164 PolarHBondContact O-N 3.34Å; L162-F165 PolarHBondContact O-N 3.48Å; L162-F166 HydrophobicContact CB-CD2 4.23Å; L162-F166 HydrophobicContact CB-CE2 4.11Å; L162-F166 WeakPolarHBondContact O-CD2 3.43Å; L162-F166 PolarHBondContact O-N 3.14Å
163	G	93.4	Very high	89.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55	-45.8	171.9	0	0	0	0	0	112.2	E159 I160 C167	E159-G163 WeakPolarHBondContact O-CA 3.35Å; E159-G163 PolarHBondContact O-N 2.98Å; I160-G163 PolarHBondContact O-N 2.98Å; G163-C167 WeakPolarHBondContact O-CB 3.31Å; G163-C167 PolarHBondContact O-N 3.18Å; G163-C167 PolarHBondContact O-SG 2.93Å; G163-C167 VanDerWaalsContact O-SG 3.38Å
164	F	92.2	Very high	87.7	Confident	126 Å²	126	51.4 Å²	51.4	55%	0.553	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-48	174.4	-172.1	-95	0	0	0	111.9	F116 I160 C161 L162 F166 C167 C168	F116-F164 HydrophobicContact CZ-CB 4.43Å; I160-F164 PolarHBondContact O-N 3.16Å; C161-F164 PolarHBondContact O-N 2.85Å; L162-F164 VanDerWaalsContact C-N 3.31Å; L162-F164 PolarHBondContact O-N 3.34Å; F164-F166 PolarHBondContact O-N 3.36Å; F164-C167 PolarHBondContact O-N 2.75Å; F164-C168 HydrophobicContact CE1-CB 4.41Å; F164-C168 VanDerWaalsContact CZ-SG 3.59Å; F164-C168 WeakPolarHBondContact O-CB 3.37Å; F164-C168 PolarHBondContact O-N 2.78Å; F164-C168 PolarHBondContact O-SG 2.98Å
165	F	89.1	Confident	86.3	Confident	120 Å²	120	55 Å²	55	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-48.8	177.8	-79.7	-67.3	0	0	0	112.2	L15 C161 L162 C167 C168 L169	L15-F165 HydrophobicContact CD2-CB 4.21Å; C161-F165 WeakPolarHBondContact O-CD2 3.35Å; C161-F165 PolarHBondContact O-N 3.47Å; L162-F165 PolarHBondContact O-N 3.48Å; F165-C167 VanDerWaalsContact C-N 3.34Å; F165-C167 PolarHBondContact O-N 3.07Å; F165-C168 PolarHBondContact O-N 2.84Å; F165-L169 WeakPolarHBondContact O-CB 3.33Å; F165-L169 PolarHBondContact O-N 2.8Å
166	F	88.4	Confident	84.9	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-33.8	179.2	-73.7	-63.6	0	0	0	112.9	L15 L19 A94 F98 I108 I111 L115 L162 F164 P170	L15-F166 HydrophobicContact CB-CE1 3.87Å; L15-F166 HydrophobicContact CB-CZ 3.69Å; L15-F166 HydrophobicContact CD1-CD1 4.37Å; L15-F166 HydrophobicContact CD1-CE1 3.99Å; L15-F166 HydrophobicContact CD1-CZ 4.5Å; L19-F166 HydrophobicContact CD1-CE2 3.55Å; L19-F166 HydrophobicContact CD1-CZ 3.66Å; L19-F166 HydrophobicContact CD2-CE2 4.44Å; L19-F166 HydrophobicContact CG-CE2 3.99Å; L19-F166 HydrophobicContact CG-CZ 4.34Å; A94-F166 HydrophobicContact CB-CZ 4.34Å; F98-F166 HydrophobicContact CE2-CD1 4.41Å; F98-F166 AromaticContact CE2-CE1 3.65Å; F98-F166 HydrophobicContact CE2-CE1 3.65Å; F98-F166 AromaticContact CZ-CE1 3.95Å; F98-F166 HydrophobicContact CZ-CE1 3.95Å; I108-F166 HydrophobicContact CG2-CB 4.29Å; I108-F166 HydrophobicContact CG2-CD1 4.03Å; I108-F166 WeakPolarHBondContact CG2-O 3.32Å; I111-F166 HydrophobicContact CG2-CD2 4.46Å; L115-F166 HydrophobicContact CD1-CD2 3.47Å; L115-F166 VanDerWaalsContact CD1-CD2 3.47Å; L115-F166 HydrophobicContact CD1-CE2 3.83Å; L162-F166 HydrophobicContact CB-CD2 4.23Å; L162-F166 HydrophobicContact CB-CE2 4.11Å; L162-F166 WeakPolarHBondContact O-CD2 3.43Å; L162-F166 PolarHBondContact O-N 3.14Å; F164-F166 PolarHBondContact O-N 3.36Å; F166-P170 VanDerWaalsContact O-CD 3.3Å; F166-P170 WeakPolarHBondContact O-CD 3.48Å
167	C	88.3	Confident	83.4	Confident	28 Å²	28	62.3 Å²	62.3	19%	0.189	31%	0.313	C	S	.	.	H	α-helix	trans	-71.3	-35.9	175.6	-78.7	0	0	0	0	113.3	G112 G163 F164 F165	G112-C167 VanDerWaalsContact C-SG 3.54Å; G163-C167 WeakPolarHBondContact O-CB 3.31Å; G163-C167 PolarHBondContact O-N 3.18Å; G163-C167 PolarHBondContact O-SG 2.93Å; G163-C167 VanDerWaalsContact O-SG 3.38Å; F164-C167 PolarHBondContact O-N 2.75Å; F165-C167 VanDerWaalsContact C-N 3.34Å; F165-C167 PolarHBondContact O-N 3.07Å
168	C	84.5	Confident	81.8	Confident	33 Å²	33	60.5 Å²	60.5	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-92.6	-25.6	-174.3	-66.8	0	0	0	0	113.9	F164 F165 P170 N171 Y172	F164-C168 HydrophobicContact CE1-CB 4.41Å; F164-C168 VanDerWaalsContact CZ-SG 3.59Å; F164-C168 WeakPolarHBondContact O-CB 3.37Å; F164-C168 PolarHBondContact O-N 2.78Å; F164-C168 PolarHBondContact O-SG 2.98Å; F165-C168 PolarHBondContact O-N 2.84Å; C168-P170 VanDerWaalsContact C-CD 3.44Å; C168-N171 WeakPolarHBondContact O-CB 3.39Å; C168-N171 PolarHBondContact O-N 3.43Å; C168-Y172 WeakPolarHBondContact O-CD2 3.39Å
169	L	81.4	Confident	80.4	Confident	37 Å²	37	64.8 Å²	64.8	19%	0.194	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-54.2	-42	-178.2	-172.5	72.8	0	0	0	113.8	Y8 L15 F98 F165 N171 Y172 I176	Y8-L169 HydrophobicContact CE2-CD1 4.36Å; Y8-L169 HydrophobicContact CE2-CD2 4.23Å; L15-L169 HydrophobicContact CD1-CD2 3.83Å; F98-L169 HydrophobicContact CZ-CD2 4.38Å; F165-L169 WeakPolarHBondContact O-CB 3.33Å; F165-L169 PolarHBondContact O-N 2.8Å; L169-N171 PolarHBondContact O-N 3.39Å; L169-Y172 PolarHBondContact O-N 2.82Å; L169-Y172 VanDerWaalsContact O-N 3.16Å; L169-I176 HydrophobicContact CD1-CD1 3.86Å
170	P	77.7	Confident	78.9	Confident	23 Å²	23	68.7 Å²	68.7	15%	0.149	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-60.5	-25.4	177.9	-24.2	35.3	0	0	0	114.1	I108 F166 C168 Y172 E173	I108-P170 HydrophobicContact CG2-CG 3.94Å; F166-P170 VanDerWaalsContact O-CD 3.3Å; F166-P170 WeakPolarHBondContact O-CD 3.48Å; C168-P170 VanDerWaalsContact C-CD 3.44Å; P170-Y172 PolarHBondContact O-N 2.86Å; P170-E173 WeakPolarHBondContact O-CB 3.31Å; P170-E173 PolarHBondContact O-N 3.21Å
171	N	78.3	Confident	77	Confident	107 Å²	107	74.1 Å²	74.1	57%	0.572	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.3	-179.6	-61.8	-30.2	0	0	0	113.2	C168 L169	C168-N171 WeakPolarHBondContact O-CB 3.39Å; C168-N171 PolarHBondContact O-N 3.43Å; L169-N171 PolarHBondContact O-N 3.39Å
172	Y	72.8	Confident	75.3	Confident	129 Å²	129	75.2 Å²	75.2	51%	0.506	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-105.3	12.4	-179.5	-62.4	-81.4	0	0	0	112.3	C168 L169 P170 D174 Q175 I176	C168-Y172 WeakPolarHBondContact O-CD2 3.39Å; L169-Y172 PolarHBondContact O-N 2.82Å; L169-Y172 VanDerWaalsContact O-N 3.16Å; P170-Y172 PolarHBondContact O-N 2.86Å; Y172-D174 PolarHBondContact O-N 2.97Å; Y172-Q175 PolarHBondContact O-N 3.01Å; Y172-Q175 VanDerWaalsContact O-N 3.16Å; Y172-I176 VanDerWaalsContact O-CG1 3.26Å; Y172-I176 WeakPolarHBondContact O-CG1 3.37Å; Y172-I176 PolarHBondContact O-N 3.43Å
173	E	70.9	Confident	73.6	Confident	54 Å²	54	80.5 Å²	80.5	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-52.5	-51.5	-176	178.2	-178.4	173	0	0	112.9	F105 P170 Q175 I176 L177	F105-E173 HydrophobicContact CD1-CG 4.19Å; F105-E173 WeakPolarHBondContact CD1-OE2 3.33Å; F105-E173 WeakPolarHBondContact CD2-OE1 3.39Å; F105-E173 HydrophobicContact CE1-CB 4.32Å; F105-E173 HydrophobicContact CE1-CG 3.62Å; F105-E173 WeakPolarHBondContact CE2-OE1 3.26Å; F105-E173 WeakPolarHBondContact CG-OE2 3.46Å; F105-E173 HydrophobicContact CZ-CG 3.82Å; F105-E173 WeakPolarHBondContact CZ-OE1 3.42Å; P170-E173 WeakPolarHBondContact O-CB 3.31Å; P170-E173 PolarHBondContact O-N 3.21Å; E173-Q175 PolarHBondContact O-N 2.72Å; E173-I176 PolarHBondContact O-N 3.3Å; E173-L177 HydrophobicContact CG-CD1 3.6Å; E173-L177 HydrophobicContact CG-CG 4.31Å; E173-L177 WeakPolarHBondContact O-CB 3.38Å; E173-L177 WeakPolarHBondContact O-CG 3.37Å; E173-L177 PolarHBondContact O-N 2.94Å
174	D	62.2	Low	72	Confident	98 Å²	98	89 Å²	89	52%	0.524	46%	0.459	S	S	.	.	H	α-helix	trans	-62.3	-32.1	-176.9	-66.8	-38.6	0	0	0	112.7	Y172 G178 N179 V180	Y172-D174 PolarHBondContact O-N 2.97Å; D174-G178 PolarHBondContact O-N 2.62Å; D174-N179 PolarHBondContact O-N 3.33Å; D174-V180 VanDerWaalsContact O-CG2 3.26Å; D174-V180 WeakPolarHBondContact O-CG2 3.09Å; D174-V180 PolarHBondContact O-N 2.99Å
175	Q	68.1	Low	70.6	Confident	131 Å²	131	91.9 Å²	91.9	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-73.8	-38.6	176.3	-60.2	177.8	10.7	0	0	111.6	Y172 E173 G178 V180	Y172-Q175 PolarHBondContact O-N 3.01Å; Y172-Q175 VanDerWaalsContact O-N 3.16Å; E173-Q175 PolarHBondContact O-N 2.72Å; Q175-G178 PolarHBondContact O-N 3.41Å; Q175-V180 VanDerWaalsContact CA-CG2 3.4Å; Q175-V180 HydrophobicContact CB-CG2 4.08Å; Q175-V180 HydrophobicContact CG-CG2 3.78Å
176	I	65.1	Low	69.2	Low	64 Å²	64	96.1 Å²	96.1	33%	0.328	49%	0.486	S	S	.	.	H	α-helix	trans	-72.6	-38.5	179.7	-68.1	166.1	0	0	0	111.5	Y8 L169 Y172 E173 G178	Y8-I176 HydrophobicContact CD1-CG2 3.65Å; Y8-I176 HydrophobicContact CD2-CG2 3.8Å; Y8-I176 HydrophobicContact CE1-CG2 4.36Å; Y8-I176 HydrophobicContact CE2-CG2 4.47Å; Y8-I176 HydrophobicContact CG-CG2 3.33Å; L169-I176 HydrophobicContact CD1-CD1 3.86Å; Y172-I176 VanDerWaalsContact O-CG1 3.26Å; Y172-I176 WeakPolarHBondContact O-CG1 3.37Å; Y172-I176 PolarHBondContact O-N 3.43Å; E173-I176 PolarHBondContact O-N 3.3Å; I176-G178 PolarHBondContact O-N 2.86Å
177	L	64.8	Low	67.9	Low	91 Å²	91	101.5 Å²	101.5	48%	0.476	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.5	178.4	-68.6	173.5	0	0	0	113.1	E173 N179	E173-L177 HydrophobicContact CG-CD1 3.6Å; E173-L177 HydrophobicContact CG-CG 4.31Å; E173-L177 WeakPolarHBondContact O-CB 3.38Å; E173-L177 WeakPolarHBondContact O-CG 3.37Å; E173-L177 PolarHBondContact O-N 2.94Å; L177-N179 PolarHBondContact O-N 2.81Å
178	G	64.3	Low	66.7	Low	59 Å²	59	105.2 Å²	105.2	61%	0.608	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	17.3	-177	0	0	0	0	0	113.7	D174 Q175 I176 V180	D174-G178 PolarHBondContact O-N 2.62Å; Q175-G178 PolarHBondContact O-N 3.41Å; I176-G178 PolarHBondContact O-N 2.86Å; G178-V180 PolarHBondContact O-N 3.33Å
179	N	65.4	Low	65.6	Low	121 Å²	121	113.1 Å²	113.1	65%	0.647	60%	0.601	S	S	*	*			trans	-79.7	-0.6	177.6	-100.1	1	0	0	0	113	D174 L177 K181	D174-N179 PolarHBondContact O-N 3.33Å; L177-N179 PolarHBondContact O-N 2.81Å; N179-K181 PolarHBondContact O-N 3.18Å
180	V	65.8	Low	64.8	Low	83 Å²	83	117 Å²	117	50%	0.503	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-65.6	120.3	177.7	-158.6	0	0	0	0	109.5	D174 Q175 G178	D174-V180 VanDerWaalsContact O-CG2 3.26Å; D174-V180 WeakPolarHBondContact O-CG2 3.09Å; D174-V180 PolarHBondContact O-N 2.99Å; Q175-V180 VanDerWaalsContact CA-CG2 3.4Å; Q175-V180 HydrophobicContact CB-CG2 4.08Å; Q175-V180 HydrophobicContact CG-CG2 3.78Å; G178-V180 PolarHBondContact O-N 3.33Å
181	K	55.4	Low	64.1	Low	183 Å²	183	121.9 Å²	121.9	80%	0.796	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.2	132.9	172.1	-63.9	-177.5	-177.3	-178.5	0	109	N179 T183	N179-K181 PolarHBondContact O-N 3.18Å; K181-T183 PolarHBondContact O-N 2.7Å; K181-T183 VanDerWaalsContact O-N 3.11Å
182	P	60.1	Low	63.3	Low	86 Å²	86	122.7 Å²	122.7	56%	0.558	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.4	120.1	174.5	21.9	-30.5	0	0	0	109.4	Y184	P182-Y184 HydrophobicContact CB-CE1 4.48Å; P182-Y184 HydrophobicContact CG-CE1 4.4Å; P182-Y184 HydrophobicContact CG-CE2 4.08Å; P182-Y184 WeakPolarHBondContact CG-OH 3.44Å; P182-Y184 WeakPolarHBondContact O-CD2 3.29Å; P182-Y184 WeakPolarHBondContact O-CE2 3.43Å; P182-Y184 PolarHBondContact O-N 2.75Å; P182-Y184 VanDerWaalsContact O-N 3.14Å
183	T	58	Low	62.8	Low	118 Å²	118	122.4 Å²	122.4	72%	0.724	66%	0.658	S	S	*	*			trans	-73	102.8	171.4	42.5	0	0	0	0	108.5	K181 F185	K181-T183 PolarHBondContact O-N 2.7Å; K181-T183 VanDerWaalsContact O-N 3.11Å; T183-F185 PolarHBondContact O-N 3.05Å
184	Y	60	Low	62.3	Low	177 Å²	177	126.6 Å²	126.6	69%	0.694	68%	0.684	S	S	*	*			trans	-73.6	108.7	170.7	-54.9	-78	0	0	0	108.6	P182 Y186	P182-Y184 HydrophobicContact CB-CE1 4.48Å; P182-Y184 HydrophobicContact CG-CE1 4.4Å; P182-Y184 HydrophobicContact CG-CE2 4.08Å; P182-Y184 WeakPolarHBondContact CG-OH 3.44Å; P182-Y184 WeakPolarHBondContact O-CD2 3.29Å; P182-Y184 WeakPolarHBondContact O-CE2 3.43Å; P182-Y184 PolarHBondContact O-N 2.75Å; P182-Y184 VanDerWaalsContact O-N 3.14Å; Y184-Y186 PolarHBondContact O-N 3.38Å; Y184-Y186 VanDerWaalsContact O-N 3.16Å
185	F	62.8	Low	62.3	Low	188 Å²	188	128.5 Å²	128.5	83%	0.825	70%	0.695	S	S	*	*			trans	-72.5	102.9	163.5	-72.2	-81.5	0	0	0	107.3	T183 S187	T183-F185 PolarHBondContact O-N 3.05Å; F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 2.93Å
186	Y	58.9	Low	61.9	Low	208 Å²	208	128.4 Å²	128.4	82%	0.816	70%	0.7	S	S	*	*			trans	-70.1	94.8	166.2	-76.2	-87.5	0	0	0	107.8	Y184 S188	Y184-Y186 PolarHBondContact O-N 3.38Å; Y184-Y186 VanDerWaalsContact O-N 3.16Å; Y186-S188 VanDerWaalsContact C-N 3.32Å; Y186-S188 PolarHBondContact O-N 2.84Å
187	S	61.2	Low	61.6	Low	114 Å²	114	133.3 Å²	133.3	80%	0.797	73%	0.729	S	S	*	*			trans	-75	93.4	157.2	53.3	0	0	0	0	106.8	F185	F185-S187 VanDerWaalsContact C-N 3.33Å; F185-S187 PolarHBondContact O-N 2.93Å
188	S	64.3	Low	61.4	Low	105 Å²	105	136.8 Å²	136.8	73%	0.734	75%	0.75	S	S	*	*			trans	-65.6	136.9	163.5	50.9	0	0	0	0	108.7	Y186	Y186-S188 VanDerWaalsContact C-N 3.32Å; Y186-S188 PolarHBondContact O-N 2.84Å
189	P	60.4	Low	61.1	Low	200 Å²	200	143.9 Å²	143.9	100%	1.299	76%	0.763	S	S	*	*			trans	-63.7	0	179.2	27.3	-34.2	0	0	0	113.3

Retrieved 189 of 189 residues in 427.1 ms (Link to these results)

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