A0A061AL77_CAEEL Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AL77, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.4	Confident	90.5	Very high	94 Å²	94	76.5 Å²	76.5	46%	0.463	38%	0.384	S	S	.	.				0	137.7	0	-72.8	-158.8	122.1	0	0	109.2	F3 F54 M58	M1-F3 HydrophobicContact CE-CE1 3.9Å; M1-F3 HydrophobicContact CE-CZ 3.92Å; M1-F3 HydrophobicContact SD-CE1 4.49Å; M1-F3 HydrophobicContact SD-CZ 4.41Å; M1-F54 HydrophobicContact CE-CB 3.37Å; M1-F54 HydrophobicContact CE-CD1 4.23Å; M1-F54 HydrophobicContact CE-CD2 3.34Å; M1-F54 HydrophobicContact CE-CE2 4.05Å; M1-F54 HydrophobicContact CE-CG 3.42Å; M1-F54 VanDerWaalsContact CE-CG 3.42Å; M1-F54 HydrophobicContact SD-CB 3.54Å; M1-F54 VanDerWaalsContact SD-CB 3.54Å; M1-F54 HydrophobicContact SD-CD2 3.5Å; M1-F54 VanDerWaalsContact SD-CD2 3.5Å; M1-F54 HydrophobicContact SD-CE2 4.45Å; M1-F54 HydrophobicContact SD-CG 3.89Å; M1-M58 HydrophobicContact CE-CE 3.52Å; M1-M58 HydrophobicContact CE-SD 3.81Å; M1-M58 HydrophobicContact CG-CE 3.7Å; M1-M58 HydrophobicContact CG-SD 3.39Å; M1-M58 WeakPolarHBondContact CG-SD 3.48Å; M1-M58 HydrophobicContact SD-CE 4.5Å; M1-M58 HydrophobicContact SD-SD 4.26Å
2	A	85.8	Confident	90.8	Very high	30 Å²	30	70.1 Å²	70.1	25%	0.248	35%	0.352	C	S	.	.			trans	-108.2	20.1	-174.8	0	0	0	0	0	114.1	H19 S22	A2-H19 HydrophobicContact CB-CB 4.17Å; A2-H19 WeakPolarHBondContact O-CB 3.39Å; A2-H19 PolarHBondContact O-N 2.76Å; A2-S22 WeakPolarHBondContact CB-OG 3.1Å
3	F	92.2	Very high	91.2	Very high	20 Å²	20	64.7 Å²	64.7	9%	0.088	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.4	173.9	67.3	-88.8	0	0	0	110.8	M1 M5 V15 Y17 I18 L28 L34 F54	M1-F3 HydrophobicContact CE-CE1 3.9Å; M1-F3 HydrophobicContact CE-CZ 3.92Å; M1-F3 HydrophobicContact SD-CE1 4.49Å; M1-F3 HydrophobicContact SD-CZ 4.41Å; F3-M5 HydrophobicContact CD2-CG 3.85Å; F3-M5 HydrophobicContact CE2-CG 3.51Å; F3-M5 HydrophobicContact CE2-SD 3.95Å; F3-V15 HydrophobicContact CB-CG1 4.44Å; F3-V15 HydrophobicContact CD2-CG1 4.37Å; F3-V15 HydrophobicContact CD2-CG2 4.43Å; F3-Y17 CarbonylContact C-O 3.57Å; F3-Y17 WeakPolarHBondContact CA-O 3.25Å; F3-Y17 VanDerWaalsContact CB-O 3.29Å; F3-Y17 WeakPolarHBondContact CB-O 3.45Å; F3-I18 HydrophobicContact CB-CB 4.34Å; F3-I18 HydrophobicContact CB-CG1 3.94Å; F3-I18 HydrophobicContact CB-CG2 4.33Å; F3-L28 HydrophobicContact CD1-CD1 4.01Å; F3-L28 HydrophobicContact CE1-CD1 4.02Å; F3-L28 HydrophobicContact CG-CD1 4.36Å; F3-L28 HydrophobicContact CZ-CD1 4.38Å; F3-L34 HydrophobicContact CE2-CD1 4.25Å; F3-F54 HydrophobicContact CE2-CE2 4.11Å; F3-F54 HydrophobicContact CZ-CD2 4.34Å; F3-F54 AromaticContact CZ-CE2 3.77Å; F3-F54 HydrophobicContact CZ-CE2 3.77Å; F3-F54 HydrophobicContact CZ-CZ 4.44Å
4	R	93.1	Very high	91.6	Very high	135 Å²	135	62.4 Å²	62.4	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.5	175.3	-63.6	-172.2	-66.7	166.7	1.9	109.8	D16 Y17	R4-D16 HydrophobicContact CB-CB 4.26Å; R4-D16 IonicContact CZ-OD2 2.87Å; R4-D16 IonicContact NH2-OD2 3.2Å; R4-D16 PolarHBondContact O-N 3.38Å; R4-Y17 PolarHBondContact N-O 3.49Å
5	M	94.4	Very high	91.8	Very high	27 Å²	27	58.2 Å²	58.2	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.3	180	-63.9	177.9	-78	0	0	111.1	F3 I13 F14 L34 V47 A51 F54	F3-M5 HydrophobicContact CD2-CG 3.85Å; F3-M5 HydrophobicContact CE2-CG 3.51Å; F3-M5 HydrophobicContact CE2-SD 3.95Å; M5-I13 HydrophobicContact CB-CG2 3.88Å; M5-I13 HydrophobicContact CG-CG2 4.2Å; M5-I13 HydrophobicContact SD-CG2 3.9Å; M5-F14 CarbonylContact C-O 3.59Å; M5-F14 VanDerWaalsContact CA-O 3.28Å; M5-F14 WeakPolarHBondContact CA-O 3.35Å; M5-L34 HydrophobicContact CG-CD1 4.1Å; M5-L34 HydrophobicContact SD-CD1 3.75Å; M5-V47 HydrophobicContact CB-CG1 4.12Å; M5-A51 HydrophobicContact CE-CB 4.26Å; M5-F54 HydrophobicContact CE-CD2 3.63Å; M5-F54 HydrophobicContact CE-CE2 3.74Å; M5-F54 HydrophobicContact SD-CD2 3.86Å; M5-F54 HydrophobicContact SD-CE2 3.28Å; M5-F54 WeakPolarHBondContact SD-CE2 3.3Å; M5-F54 HydrophobicContact SD-CZ 4.26Å
6	V	94.6	Very high	92	Very high	21 Å²	21	55.3 Å²	55.3	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.8	179.6	-67.4	0	0	0	0	109.9	F14 D16 M78 R81	V6-F14 HydrophobicContact CG2-CB 4.36Å; V6-F14 PolarHBondContact N-O 3.27Å; V6-F14 PolarHBondContact O-N 3.34Å; V6-D16 HydrophobicContact CB-CB 4.18Å; V6-D16 HydrophobicContact CG1-CB 3.57Å; V6-D16 HydrophobicContact CG2-CB 3.7Å; V6-M78 HydrophobicContact CG2-SD 4.11Å; V6-R81 VanDerWaalsContact CG2-NH1 3.29Å
7	G	93.3	Very high	92.1	Very high	38 Å²	38	56.9 Å²	56.9	39%	0.392	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-172.2	-177.7	0	0	0	0	0	113.1	G12 V47	G7-G12 WeakPolarHBondContact CA-O 3.36Å; G7-V47 WeakPolarHBondContact O-CG2 3.34Å
8	S	92.1	Very high	92.1	Very high	42 Å²	42	54.7 Å²	54.7	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	166.3	178.1	69.8	0	0	0	0	109.5	S10 R11 G12	S8-S10 PolarHBondContact O-N 3.01Å; S8-S10 PolarHBondContact OG-OG 3.33Å; S8-R11 PolarHBondContact O-N 2.84Å; S8-R11 PolarHBondContact OG-N 3.44Å; S8-G12 PolarHBondContact N-O 2.94Å; S8-G12 CarbonylContact O-C 3.59Å; S8-G12 WeakPolarHBondContact O-CA 3.38Å; S8-G12 PolarHBondContact O-N 3.24Å
9	R	93.8	Very high	92.2	Very high	146 Å²	146	56.3 Å²	56.3	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.7	176	-65.7	-174.5	180	136	-0.5	113.2	A44 Q49	R9-A44 WeakPolarHBondContact CG-O 3.44Å; R9-Q49 VanDerWaalsContact NH2-NE2 3.19Å
10	S	92.4	Very high	92.1	Very high	102 Å²	102	57.4 Å²	57.4	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-34.4	-178.3	52.8	0	0	0	0	113.6	S8	S8-S10 PolarHBondContact O-N 3.01Å; S8-S10 PolarHBondContact OG-OG 3.33Å
11	R	90.5	Very high	92	Very high	186 Å²	186	61.4 Å²	61.4	70%	0.702	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-17.9	-178.2	-69.3	-170	154.5	101.2	1.1	113.1	S8 F14 R33	S8-R11 PolarHBondContact O-N 2.84Å; S8-R11 PolarHBondContact OG-N 3.44Å; R11-F14 HydrophobicContact CB-CE2 4.32Å; R11-F14 WeakPolarHBondContact O-CE2 3.48Å; R11-F14 WeakPolarHBondContact O-CZ 3.43Å; R11-R33 PolarHBondContact O-NE 3.21Å; R11-R33 PolarHBondContact O-NH2 3.38Å
12	G	94	Very high	92.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.9	-175.6	-170.8	0	0	0	0	0	111.8	G7 S8 F14	G7-G12 WeakPolarHBondContact CA-O 3.36Å; S8-G12 PolarHBondContact N-O 2.94Å; S8-G12 CarbonylContact O-C 3.59Å; S8-G12 WeakPolarHBondContact O-CA 3.38Å; S8-G12 PolarHBondContact O-N 3.24Å; G12-F14 WeakPolarHBondContact O-CE2 3.37Å
13	I	96.7	Very high	92.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.4	-173	-53.9	179	0	0	0	109.3	M5 R33 L34 V45 A50	M5-I13 HydrophobicContact CB-CG2 3.88Å; M5-I13 HydrophobicContact CG-CG2 4.2Å; M5-I13 HydrophobicContact SD-CG2 3.9Å; I13-R33 CarbonylContact O-C 3.57Å; I13-R33 WeakPolarHBondContact O-CA 3.39Å; I13-L34 HydrophobicContact CB-CB 4.49Å; I13-L34 HydrophobicContact CG2-CD1 4.01Å; I13-L34 PolarHBondContact O-N 3.2Å; I13-V45 HydrophobicContact CD1-CB 4.31Å; I13-V45 HydrophobicContact CD1-CG1 4.39Å; I13-V45 WeakPolarHBondContact CD1-O 3.48Å; I13-A50 HydrophobicContact CD1-CB 3.21Å
14	F	96.1	Very high	92.6	Very high	32 Å²	32	59.8 Å²	59.8	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.6	-176.9	-54.1	-93.5	0	0	0	110.6	M5 V6 R11 G12 D16 D32 R33 M78	M5-F14 CarbonylContact C-O 3.59Å; M5-F14 VanDerWaalsContact CA-O 3.28Å; M5-F14 WeakPolarHBondContact CA-O 3.35Å; V6-F14 HydrophobicContact CG2-CB 4.36Å; V6-F14 PolarHBondContact N-O 3.27Å; V6-F14 PolarHBondContact O-N 3.34Å; R11-F14 HydrophobicContact CB-CE2 4.32Å; R11-F14 WeakPolarHBondContact O-CE2 3.48Å; R11-F14 WeakPolarHBondContact O-CZ 3.43Å; G12-F14 WeakPolarHBondContact O-CE2 3.37Å; F14-D16 PolarHBondContact O-N 2.94Å; F14-D32 CarbonylContact C-O 3.58Å; F14-D32 VanDerWaalsContact CA-O 3.3Å; F14-D32 WeakPolarHBondContact CA-O 3.5Å; F14-R33 HydrophobicContact CD1-CB 3.72Å; F14-R33 HydrophobicContact CD1-CG 3.89Å; F14-R33 HydrophobicContact CE1-CB 3.68Å; F14-R33 HydrophobicContact CE1-CG 3.57Å; F14-R33 HydrophobicContact CZ-CG 4.05Å; F14-M78 HydrophobicContact CB-CE 3.51Å; F14-M78 HydrophobicContact CD1-CE 4.28Å; F14-M78 HydrophobicContact CG-CE 3.93Å
15	V	95.4	Very high	92.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.9	172.5	-178	0	0	0	0	109.2	F3 I18 R29 G31 D32 L34	F3-V15 HydrophobicContact CB-CG1 4.44Å; F3-V15 HydrophobicContact CD2-CG1 4.37Å; F3-V15 HydrophobicContact CD2-CG2 4.43Å; V15-I18 HydrophobicContact CG1-CD1 3.83Å; V15-I18 HydrophobicContact CG1-CG1 3.47Å; V15-I18 VanDerWaalsContact CG1-CG1 3.47Å; V15-R29 WeakPolarHBondContact CB-O 3.42Å; V15-G31 PolarHBondContact O-N 3.4Å; V15-D32 HydrophobicContact CG2-CB 4.19Å; V15-D32 PolarHBondContact N-O 2.99Å; V15-L34 HydrophobicContact CG2-CD2 3.84Å; V15-L34 HydrophobicContact CG2-CG 4.34Å
16	D	94.5	Very high	92.2	Very high	12 Å²	12	59 Å²	59	6%	0.064	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-34.2	-179.6	-175.4	61.7	0	0	0	112.5	R4 V6 F14 R81 R82	R4-D16 HydrophobicContact CB-CB 4.26Å; R4-D16 IonicContact CZ-OD2 2.87Å; R4-D16 IonicContact NH2-OD2 3.2Å; R4-D16 PolarHBondContact O-N 3.38Å; V6-D16 HydrophobicContact CB-CB 4.18Å; V6-D16 HydrophobicContact CG1-CB 3.57Å; V6-D16 HydrophobicContact CG2-CB 3.7Å; F14-D16 PolarHBondContact O-N 2.94Å; D16-R81 IonicContact OD1-NH1 3.39Å; D16-R81 PolarHBondContact OD1-NH1 3.47Å; D16-R82 PolarHBondContact O-NH1 3.36Å
17	Y	93.2	Very high	92	Very high	83 Å²	83	61.5 Å²	61.5	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	145.6	-177.3	173.9	-99.3	0	0	0	109.6	F3 R4 P20 E30	F3-Y17 CarbonylContact C-O 3.57Å; F3-Y17 WeakPolarHBondContact CA-O 3.25Å; F3-Y17 VanDerWaalsContact CB-O 3.29Å; F3-Y17 WeakPolarHBondContact CB-O 3.45Å; R4-Y17 PolarHBondContact N-O 3.49Å; Y17-P20 WeakPolarHBondContact OH-CD 3.34Å; Y17-E30 WeakPolarHBondContact CD2-OE1 3.49Å
18	I	93.1	Very high	92	Very high	16 Å²	16	60.1 Å²	60.1	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.7	175.5	-53.2	162.1	0	0	0	107.9	F3 V15 Q24 L28	F3-I18 HydrophobicContact CB-CB 4.34Å; F3-I18 HydrophobicContact CB-CG1 3.94Å; F3-I18 HydrophobicContact CB-CG2 4.33Å; V15-I18 HydrophobicContact CG1-CD1 3.83Å; V15-I18 HydrophobicContact CG1-CG1 3.47Å; V15-I18 VanDerWaalsContact CG1-CG1 3.47Å; I18-Q24 HydrophobicContact CG2-CB 4.41Å; I18-L28 HydrophobicContact CD1-CB 3.53Å; I18-L28 WeakPolarHBondContact CD1-O 3.39Å; I18-L28 HydrophobicContact CG1-CB 4.44Å
19	H	93.4	Very high	92	Very high	86 Å²	86	65.6 Å²	65.6	40%	0.398	33%	0.325	S	S	.	.			trans	-66.9	124.6	173.7	-170	-72.3	0	0	0	109.4	A2 D21 S22	A2-H19 HydrophobicContact CB-CB 4.17Å; A2-H19 WeakPolarHBondContact O-CB 3.39Å; A2-H19 PolarHBondContact O-N 2.76Å; H19-D21 VanDerWaalsContact C-N 3.32Å; H19-D21 IonicContact CE1-OD2 3.82Å; H19-D21 PolarHBondContact ND1-N 2.87Å; H19-D21 PolarHBondContact O-N 3.11Å; H19-S22 WeakPolarHBondContact O-CB 3.38Å; H19-S22 PolarHBondContact O-N 2.91Å; H19-S22 VanDerWaalsContact O-N 3.14Å; H19-S22 PolarHBondContact O-OG 3.4Å; H19-S22 VanDerWaalsContact O-OG 3.11Å
20	P	89.4	Confident	92.1	Very high	78 Å²	78	60.4 Å²	60.4	51%	0.506	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.8	-170.7	21.5	-32.3	0	0	0	113	Y17 S22 S25	Y17-P20 WeakPolarHBondContact OH-CD 3.34Å; P20-S22 PolarHBondContact O-N 2.76Å; P20-S25 WeakPolarHBondContact O-CB 3.15Å; P20-S25 PolarHBondContact O-OG 2.97Å
21	D	91.1	Very high	92.2	Very high	142 Å²	142	55.7 Å²	55.7	76%	0.759	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	9.9	-177.7	-48	-48.7	0	0	0	114	H19	H19-D21 VanDerWaalsContact C-N 3.32Å; H19-D21 IonicContact CE1-OD2 3.82Å; H19-D21 PolarHBondContact ND1-N 2.87Å; H19-D21 PolarHBondContact O-N 3.11Å
22	S	89.6	Confident	92.5	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	24%	0.241	C	C	.	.	S	Bend	trans	-91.6	148.7	-178.5	90.3	0	0	0	0	111.1	A2 H19 P20 Q24 S25	A2-S22 WeakPolarHBondContact CB-OG 3.1Å; H19-S22 WeakPolarHBondContact O-CB 3.38Å; H19-S22 PolarHBondContact O-N 2.91Å; H19-S22 VanDerWaalsContact O-N 3.14Å; H19-S22 PolarHBondContact O-OG 3.4Å; H19-S22 VanDerWaalsContact O-OG 3.11Å; P20-S22 PolarHBondContact O-N 2.76Å; S22-Q24 PolarHBondContact O-N 2.85Å; S22-Q24 PolarHBondContact OG-N 2.85Å; S22-Q24 PolarHBondContact OG-OE1 3.43Å; S22-S25 WeakPolarHBondContact O-CB 3.09Å; S22-S25 PolarHBondContact O-N 2.85Å; S22-S25 PolarHBondContact O-OG 2.95Å
23	P	87.4	Confident	92.6	Very high	77 Å²	77	49.6 Å²	49.6	50%	0.5	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.2	178	26.4	-35.7	0	0	0	113	T26 H27	P23-T26 PolarHBondContact O-OG1 2.83Å; P23-H27 PolarHBondContact O-CD2 2.87Å
24	Q	87.4	Confident	92.5	Very high	22 Å²	22	49.6 Å²	49.6	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.4	175.1	-58	86.9	-4.6	0	0	113	I18 S22 T26 H27 L28 H163	I18-Q24 HydrophobicContact CG2-CB 4.41Å; S22-Q24 PolarHBondContact O-N 2.85Å; S22-Q24 PolarHBondContact OG-N 2.85Å; S22-Q24 PolarHBondContact OG-OE1 3.43Å; Q24-T26 PolarHBondContact O-N 3.33Å; Q24-H27 PolarHBondContact O-N 3.46Å; Q24-L28 HydrophobicContact CB-CD1 4.34Å; Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 PolarHBondContact O-N 3.27Å; Q24-H163 PolarHBondContact NE2-NE2 2.9Å
25	S	89.3	Confident	92.5	Very high	43 Å²	43	48.9 Å²	48.9	30%	0.301	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.7	-177.7	71.7	0	0	0	0	113.2	P20 S22 H27	P20-S25 WeakPolarHBondContact O-CB 3.15Å; P20-S25 PolarHBondContact O-OG 2.97Å; S22-S25 WeakPolarHBondContact O-CB 3.09Å; S22-S25 PolarHBondContact O-N 2.85Å; S22-S25 PolarHBondContact O-OG 2.95Å; S25-H27 VanDerWaalsContact C-N 3.28Å; S25-H27 PolarHBondContact O-N 3.18Å
26	T	89.4	Confident	92.5	Very high	102 Å²	102	54.8 Å²	54.8	63%	0.626	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.4	176.1	54.5	0	0	0	0	112.5	P23 Q24	P23-T26 PolarHBondContact O-OG1 2.83Å; Q24-T26 PolarHBondContact O-N 3.33Å
27	H	89.8	Confident	92.4	Very high	75 Å²	75	54.2 Å²	54.2	35%	0.347	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-39	-171.2	-58.6	-75.4	0	0	0	114.3	P23 Q24 S25 R70 F161	P23-H27 PolarHBondContact O-CD2 2.87Å; Q24-H27 PolarHBondContact O-N 3.46Å; S25-H27 VanDerWaalsContact C-N 3.28Å; S25-H27 PolarHBondContact O-N 3.18Å; H27-R70 PolarHBondContact O-NH2 3.34Å; H27-F161 HydrophobicContact CB-CE1 3.62Å; H27-F161 HydrophobicContact CB-CZ 3.38Å; H27-F161 AromaticContact CD2-CD1 3.88Å; H27-F161 AromaticContact CD2-CE1 3.09Å; H27-F161 WeakPolarHBondContact CD2-CE1 3.4Å; H27-F161 AromaticContact CD2-CZ 3.85Å; H27-F161 AromaticContact CE1-CE1 3.94Å; H27-F161 AromaticContact CG-CE1 3.22Å; H27-F161 AromaticContact CG-CZ 3.56Å; H27-F161 AromaticContact ND1-CE1 3.76Å; H27-F161 AromaticContact NE2-CE1 3.58Å
28	L	92.4	Very high	92.3	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.042	26%	0.262	C	S	.	.			trans	-92.5	151.6	176.5	-66.7	177.3	0	0	0	110.1	F3 I18 Q24 L66 I68	F3-L28 HydrophobicContact CD1-CD1 4.01Å; F3-L28 HydrophobicContact CE1-CD1 4.02Å; F3-L28 HydrophobicContact CG-CD1 4.36Å; F3-L28 HydrophobicContact CZ-CD1 4.38Å; I18-L28 HydrophobicContact CD1-CB 3.53Å; I18-L28 WeakPolarHBondContact CD1-O 3.39Å; I18-L28 HydrophobicContact CG1-CB 4.44Å; Q24-L28 HydrophobicContact CB-CD1 4.34Å; Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 PolarHBondContact O-N 3.27Å; L28-L66 HydrophobicContact CD1-CD1 4.2Å; L28-L66 HydrophobicContact CD2-CD1 4.38Å; L28-I68 HydrophobicContact CD2-CG2 3.99Å
29	R	93.8	Very high	92.2	Very high	158 Å²	158	60.2 Å²	60.2	60%	0.596	30%	0.297	S	S	*	.			trans	-129.9	154.8	173.1	-62.6	-177	-176.2	-172.4	-1.4	110.4	V15 G31 D32	V15-R29 WeakPolarHBondContact CB-O 3.42Å; R29-G31 PolarHBondContact O-N 3.26Å; R29-D32 PolarHBondContact N-OD2 3.49Å; R29-D32 WeakPolarHBondContact O-CB 3.37Å; R29-D32 PolarHBondContact O-N 2.9Å
30	E	94.8	Very high	92.2	Very high	37 Å²	37	59 Å²	59	17%	0.173	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.9	171.2	-60.2	-167.5	162.8	0	0	110.2	Y17 D32 E75 R82	Y17-E30 WeakPolarHBondContact CD2-OE1 3.49Å; E30-D32 VanDerWaalsContact C-N 3.34Å; E30-E75 PolarHBondContact O-N 3.27Å; E30-R82 VanDerWaalsContact CD-NH1 3.28Å; E30-R82 IonicContact OE1-CZ 3.57Å; E30-R82 IonicContact OE1-NH1 3.11Å; E30-R82 PolarHBondContact OE1-NH1 3.23Å; E30-R82 IonicContact OE1-NH2 2.76Å; E30-R82 IonicContact OE2-CZ 3.72Å; E30-R82 IonicContact OE2-NH1 3.76Å; E30-R82 PolarHBondContact OE2-NH1 2.99Å; E30-R82 IonicContact OE2-NH2 2.76Å; E30-R82 PolarHBondContact OE2-NH2 3.45Å
31	G	95.6	Very high	92.5	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-7.4	-177.3	0	0	0	0	0	115.4	V15 R29 R33	V15-G31 PolarHBondContact O-N 3.4Å; R29-G31 PolarHBondContact O-N 3.26Å; G31-R33 PolarHBondContact O-N 2.82Å
32	D	95.9	Very high	92.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.011	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-59.7	132.8	171.8	-76.7	-19.1	0	0	0	109.9	F14 V15 R29 E30 I68 R70	F14-D32 CarbonylContact C-O 3.58Å; F14-D32 VanDerWaalsContact CA-O 3.3Å; F14-D32 WeakPolarHBondContact CA-O 3.5Å; V15-D32 HydrophobicContact CG2-CB 4.19Å; V15-D32 PolarHBondContact N-O 2.99Å; R29-D32 PolarHBondContact N-OD2 3.49Å; R29-D32 WeakPolarHBondContact O-CB 3.37Å; R29-D32 PolarHBondContact O-N 2.9Å; E30-D32 VanDerWaalsContact C-N 3.34Å; D32-I68 HydrophobicContact CB-CD1 4.28Å; D32-I68 WeakPolarHBondContact OD2-CD1 3.39Å; D32-R70 WeakPolarHBondContact OD1-CG 3.39Å; D32-R70 IonicContact OD1-CZ 2.7Å; D32-R70 IonicContact OD1-NE 3.24Å; D32-R70 PolarHBondContact OD1-NE 3.24Å; D32-R70 IonicContact OD1-NH2 3.8Å; D32-R70 IonicContact OD2-CZ 3.49Å; D32-R70 IonicContact OD2-NE 2.94Å; D32-R70 PolarHBondContact OD2-NE 2.9Å; D32-R70 IonicContact OD2-NH2 3.79Å; D32-R70 PolarHBondContact OD2-NH2 2.88Å
33	R	95.6	Very high	92.8	Very high	56 Å²	56	57 Å²	57	21%	0.211	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.7	176.9	-171.5	-172	-167.3	-168.9	4.6	110	R11 I13 F14 G31 L35 I68 E69	R11-R33 PolarHBondContact O-NE 3.21Å; R11-R33 PolarHBondContact O-NH2 3.38Å; I13-R33 CarbonylContact O-C 3.57Å; I13-R33 WeakPolarHBondContact O-CA 3.39Å; F14-R33 HydrophobicContact CD1-CB 3.72Å; F14-R33 HydrophobicContact CD1-CG 3.89Å; F14-R33 HydrophobicContact CE1-CB 3.68Å; F14-R33 HydrophobicContact CE1-CG 3.57Å; F14-R33 HydrophobicContact CZ-CG 4.05Å; G31-R33 PolarHBondContact O-N 2.82Å; R33-L35 HydrophobicContact CG-CD2 4.37Å; R33-I68 CarbonylContact O-C 3.54Å; R33-I68 VanDerWaalsContact O-CA 3.25Å; R33-I68 WeakPolarHBondContact O-CA 3.21Å; R33-E69 HydrophobicContact CB-CB 4.19Å; R33-E69 VanDerWaalsContact CD-OE2 3.3Å; R33-E69 WeakPolarHBondContact CD-OE2 3.44Å; R33-E69 PolarHBondContact N-O 2.86Å; R33-E69 IonicContact NH1-OE2 3.94Å; R33-E69 PolarHBondContact NH1-OE2 2.92Å; R33-E69 PolarHBondContact O-N 3.42Å
34	L	95.6	Very high	93.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.6	-179.3	-51	-177.9	0	0	0	109.5	F3 M5 I13 V15 L42 F54 I68	F3-L34 HydrophobicContact CE2-CD1 4.25Å; M5-L34 HydrophobicContact CG-CD1 4.1Å; M5-L34 HydrophobicContact SD-CD1 3.75Å; I13-L34 HydrophobicContact CB-CB 4.49Å; I13-L34 HydrophobicContact CG2-CD1 4.01Å; I13-L34 PolarHBondContact O-N 3.2Å; V15-L34 HydrophobicContact CG2-CD2 3.84Å; V15-L34 HydrophobicContact CG2-CG 4.34Å; L34-L42 HydrophobicContact CB-CD1 3.77Å; L34-F54 HydrophobicContact CD1-CE2 4.12Å; L34-F54 HydrophobicContact CD1-CZ 3.96Å; L34-I68 HydrophobicContact CD2-CG2 3.78Å
35	L	95.2	Very high	93.4	Very high	17 Å²	17	56.7 Å²	56.7	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-39.4	-177.3	-62.8	-176.6	0	0	0	112.8	R33 L42 R43 L67 E69	R33-L35 HydrophobicContact CG-CD2 4.37Å; L35-L42 PolarHBondContact O-N 2.96Å; L35-R43 HydrophobicContact CD2-CG 4.39Å; L35-L67 HydrophobicContact CB-CB 4.45Å; L35-L67 HydrophobicContact CB-CD2 4.21Å; L35-L67 HydrophobicContact CB-CG 4.3Å; L35-L67 WeakPolarHBondContact CB-O 3.28Å; L35-L67 HydrophobicContact CD1-CD2 4.36Å; L35-L67 HydrophobicContact CD1-CG 4.45Å; L35-L67 PolarHBondContact N-O 2.9Å; L35-E69 HydrophobicContact CD1-CB 3.87Å; L35-E69 HydrophobicContact CD2-CB 4.37Å; L35-E69 HydrophobicContact CG-CB 4.09Å
36	R	95.4	Very high	93.7	Very high	124 Å²	124	55.6 Å²	55.6	47%	0.468	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.3	-176.8	-163.8	177.3	-87.1	-160.3	-5.9	110.8	N38 I40 L66 L67	R36-N38 WeakPolarHBondContact CD-O 3.4Å; R36-I40 CarbonylContact C-O 3.45Å; R36-I40 WeakPolarHBondContact CA-O 3Å; R36-I40 WeakPolarHBondContact CG-O 2.83Å; R36-L66 WeakPolarHBondContact O-CA 3.19Å; R36-L67 HydrophobicContact CB-CB 3.76Å; R36-L67 HydrophobicContact CB-CD2 4.3Å; R36-L67 PolarHBondContact N-O 2.99Å; R36-L67 PolarHBondContact O-N 2.95Å
37	C	93.7	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.2	169.6	-177.8	0	0	0	0	109	K39 I40 L42 I53 F54 T65 L66	C37-K39 PolarHBondContact O-N 3.19Å; C37-I40 PolarHBondContact N-O 2.83Å; C37-I40 PolarHBondContact O-N 3.41Å; C37-L42 HydrophobicContact CB-CD1 4.09Å; C37-L42 HydrophobicContact CB-CD2 4.41Å; C37-L42 HydrophobicContact CB-CG 4.33Å; C37-I53 HydrophobicContact CB-CG2 4.23Å; C37-F54 HydrophobicContact CB-CD1 4.24Å; C37-F54 HydrophobicContact CB-CE1 3.67Å; C37-F54 VanDerWaalsContact SG-CD1 3.6Å; C37-F54 WeakPolarHBondContact SG-CE1 3.3Å; C37-T65 CarbonylContact C-O 3.52Å; C37-T65 WeakPolarHBondContact CA-O 3.28Å; C37-L66 HydrophobicContact CB-CD2 4.11Å
38	N	91.1	Very high	94.1	Very high	39 Å²	39	54.6 Å²	54.6	21%	0.209	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-109.2	-171.2	-64.1	-23.5	0	0	0	110.1	R36 W57 T65	R36-N38 WeakPolarHBondContact CD-O 3.4Å; N38-W57 HydrophobicContact CB-CH2 4.45Å; N38-W57 HydrophobicContact CB-CZ2 4.15Å; N38-T65 PolarHBondContact N-O 3.32Å; N38-T65 WeakPolarHBondContact OD1-CB 3.38Å; N38-T65 PolarHBondContact OD1-N 2.77Å
39	K	90.6	Very high	94.2	Very high	186 Å²	186	58.1 Å²	58.1	81%	0.809	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.9	179.1	-59.7	-179.4	-178.3	179.2	0	113.7	C37	C37-K39 PolarHBondContact O-N 3.19Å
40	I	93.4	Very high	94.3	Very high	61 Å²	61	50.6 Å²	50.6	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	-172.7	-55.8	-179.7	0	0	0	111	R36 C37 I53 W57	R36-I40 CarbonylContact C-O 3.45Å; R36-I40 WeakPolarHBondContact CA-O 3Å; R36-I40 WeakPolarHBondContact CG-O 2.83Å; C37-I40 PolarHBondContact N-O 2.83Å; C37-I40 PolarHBondContact O-N 3.41Å; I40-I53 HydrophobicContact CD1-CG2 4.03Å; I40-I53 HydrophobicContact CG2-CD1 3.88Å; I40-W57 HydrophobicContact CD1-CZ2 4.44Å
41	S	94.9	Very high	94.2	Very high	54 Å²	54	49.9 Å²	49.9	38%	0.378	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.5	175.2	-174.3	0	0	0	0	111.6	V45	S41-V45 VanDerWaalsContact O-CG2 3.28Å; S41-V45 WeakPolarHBondContact O-CG2 3.37Å
42	L	95.4	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.			trans	-105.4	1	178.4	-62.2	178.7	0	0	0	113.4	L34 L35 C37 A44 V45 A50 I53 F54	L34-L42 HydrophobicContact CB-CD1 3.77Å; L35-L42 PolarHBondContact O-N 2.96Å; C37-L42 HydrophobicContact CB-CD1 4.09Å; C37-L42 HydrophobicContact CB-CD2 4.41Å; C37-L42 HydrophobicContact CB-CG 4.33Å; L42-A44 PolarHBondContact O-N 2.84Å; L42-V45 HydrophobicContact CD2-CG1 4.44Å; L42-V45 PolarHBondContact O-N 3.32Å; L42-A50 HydrophobicContact CD2-CB 4.15Å; L42-I53 HydrophobicContact CD2-CD1 4Å; L42-F54 HydrophobicContact CD1-CE1 4.1Å; L42-F54 HydrophobicContact CD1-CZ 3.97Å
43	R	93	Very high	94	Very high	135 Å²	135	54 Å²	54	51%	0.509	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.1	-171.3	-68.7	-179.5	177.6	-103.4	-0.3	114.5	L35	L35-R43 HydrophobicContact CD2-CG 4.39Å
44	A	93.2	Very high	93.8	Very high	72 Å²	72	51.3 Å²	51.3	60%	0.595	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	23.5	-177.4	0	0	0	0	0	112.4	R9 L42	R9-A44 WeakPolarHBondContact CG-O 3.44Å; L42-A44 PolarHBondContact O-N 2.84Å
45	V	94.5	Very high	93.6	Very high	19 Å²	19	57.5 Å²	57.5	12%	0.115	29%	0.291	C	S	.	.			trans	-100.8	141.5	-173.1	-179.7	0	0	0	0	109.3	I13 S41 L42 Q49 A50 I53	I13-V45 HydrophobicContact CD1-CB 4.31Å; I13-V45 HydrophobicContact CD1-CG1 4.39Å; I13-V45 WeakPolarHBondContact CD1-O 3.48Å; S41-V45 VanDerWaalsContact O-CG2 3.28Å; S41-V45 WeakPolarHBondContact O-CG2 3.37Å; L42-V45 HydrophobicContact CD2-CG1 4.44Å; L42-V45 PolarHBondContact O-N 3.32Å; V45-Q49 HydrophobicContact CG1-CB 3.41Å; V45-Q49 VanDerWaalsContact CG1-CB 3.41Å; V45-A50 HydrophobicContact CG1-CB 4.09Å; V45-I53 HydrophobicContact CG1-CD1 4Å
46	S	94.2	Very high	93.4	Very high	20 Å²	20	61.1 Å²	61.1	14%	0.14	31%	0.306	C	S	.	.			trans	-76	160.6	172.7	71.4	0	0	0	0	111.1	D48 Q49 A50	S46-D48 PolarHBondContact O-N 2.97Å; S46-Q49 VanDerWaalsContact N-OE1 3.12Å; S46-Q49 PolarHBondContact O-N 2.9Å; S46-Q49 WeakPolarHBondContact OG-CB 3.46Å; S46-Q49 VanDerWaalsContact OG-CG 3.28Å; S46-Q49 WeakPolarHBondContact OG-CG 3.5Å; S46-Q49 PolarHBondContact OG-N 2.78Å; S46-Q49 PolarHBondContact OG-OE1 2.83Å; S46-A50 PolarHBondContact O-N 3.21Å
47	V	94.3	Very high	93.1	Very high	33 Å²	33	57.9 Å²	57.9	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-41.4	178.1	179.9	0	0	0	0	111.2	M5 G7 A50 A51	M5-V47 HydrophobicContact CB-CG1 4.12Å; G7-V47 WeakPolarHBondContact O-CG2 3.34Å; V47-A50 PolarHBondContact O-N 3.34Å; V47-A51 WeakPolarHBondContact O-CB 3.35Å; V47-A51 PolarHBondContact O-N 2.82Å
48	D	94.1	Very high	92.8	Very high	124 Å²	124	61.4 Å²	61.4	66%	0.663	31%	0.311	S	S	*	.	H	α-helix	trans	-65.3	-41.5	178.6	-54	-54	0	0	0	112.4	S46 A51 S52	S46-D48 PolarHBondContact O-N 2.97Å; D48-A51 PolarHBondContact O-N 3.2Å; D48-S52 PolarHBondContact O-N 2.8Å; D48-S52 PolarHBondContact O-OG 2.83Å
49	Q	94.6	Very high	92.6	Very high	82 Å²	82	63.9 Å²	63.9	38%	0.383	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-41.4	176.4	-74	173	-27.7	0	0	111	R9 V45 S46 S52 I53	R9-Q49 VanDerWaalsContact NH2-NE2 3.19Å; V45-Q49 HydrophobicContact CG1-CB 3.41Å; V45-Q49 VanDerWaalsContact CG1-CB 3.41Å; S46-Q49 VanDerWaalsContact N-OE1 3.12Å; S46-Q49 PolarHBondContact O-N 2.9Å; S46-Q49 WeakPolarHBondContact OG-CB 3.46Å; S46-Q49 VanDerWaalsContact OG-CG 3.28Å; S46-Q49 WeakPolarHBondContact OG-CG 3.5Å; S46-Q49 PolarHBondContact OG-N 2.78Å; S46-Q49 PolarHBondContact OG-OE1 2.83Å; Q49-S52 WeakPolarHBondContact O-CB 3.37Å; Q49-S52 PolarHBondContact O-N 2.83Å; Q49-I53 WeakPolarHBondContact O-CG1 3.48Å; Q49-I53 PolarHBondContact O-N 2.83Å
50	A	94.6	Very high	92.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-40	175.6	0	0	0	0	0	112.2	I13 L42 V45 S46 V47 S52 I53 F54	I13-A50 HydrophobicContact CD1-CB 3.21Å; L42-A50 HydrophobicContact CD2-CB 4.15Å; V45-A50 HydrophobicContact CG1-CB 4.09Å; S46-A50 PolarHBondContact O-N 3.21Å; V47-A50 PolarHBondContact O-N 3.34Å; A50-S52 VanDerWaalsContact C-N 3.28Å; A50-S52 PolarHBondContact O-N 3.03Å; A50-I53 PolarHBondContact O-N 3.18Å; A50-F54 WeakPolarHBondContact O-CB 3.32Å; A50-F54 WeakPolarHBondContact O-CG 3.44Å; A50-F54 PolarHBondContact O-N 2.75Å
51	A	93.6	Very high	91.8	Very high	21 Å²	21	61.5 Å²	61.5	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-40.4	172.5	0	0	0	0	0	111.5	M5 V47 D48 F54 R55	M5-A51 HydrophobicContact CE-CB 4.26Å; V47-A51 WeakPolarHBondContact O-CB 3.35Å; V47-A51 PolarHBondContact O-N 2.82Å; D48-A51 PolarHBondContact O-N 3.2Å; A51-F54 PolarHBondContact O-N 2.89Å; A51-R55 WeakPolarHBondContact O-CG 3.44Å; A51-R55 PolarHBondContact O-N 3.36Å
52	S	93.8	Very high	91.1	Very high	60 Å²	60	65.5 Å²	65.5	42%	0.42	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-43.8	173.8	-69.6	0	0	0	0	112.9	D48 Q49 A50 F54 R55 F56	D48-S52 PolarHBondContact O-N 2.8Å; D48-S52 PolarHBondContact O-OG 2.83Å; Q49-S52 WeakPolarHBondContact O-CB 3.37Å; Q49-S52 PolarHBondContact O-N 2.83Å; A50-S52 VanDerWaalsContact C-N 3.28Å; A50-S52 PolarHBondContact O-N 3.03Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.3Å; S52-R55 PolarHBondContact O-N 2.96Å; S52-R55 PolarHBondContact OG-NH2 3.32Å; S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.4Å; S52-F56 PolarHBondContact O-N 3.48Å
53	I	93	Very high	90.5	Very high	31 Å²	31	67.6 Å²	67.6	16%	0.159	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-45.7	175.3	-71.4	160.7	0	0	0	110.3	C37 I40 L42 V45 Q49 A50 F56 W57	C37-I53 HydrophobicContact CB-CG2 4.23Å; I40-I53 HydrophobicContact CD1-CG2 4.03Å; I40-I53 HydrophobicContact CG2-CD1 3.88Å; L42-I53 HydrophobicContact CD2-CD1 4Å; V45-I53 HydrophobicContact CG1-CD1 4Å; Q49-I53 WeakPolarHBondContact O-CG1 3.48Å; Q49-I53 PolarHBondContact O-N 2.83Å; A50-I53 PolarHBondContact O-N 3.18Å; I53-F56 WeakPolarHBondContact O-CB 3.28Å; I53-F56 PolarHBondContact O-N 3.38Å; I53-W57 PolarHBondContact O-N 3.39Å
54	F	92.2	Very high	90.2	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-45.2	179.2	-72.2	-15.7	0	0	0	113.2	M1 F3 M5 L34 C37 L42 A50 A51 S52 F56 W57 M58 L64 L66	M1-F54 HydrophobicContact CE-CB 3.37Å; M1-F54 HydrophobicContact CE-CD1 4.23Å; M1-F54 HydrophobicContact CE-CD2 3.34Å; M1-F54 HydrophobicContact CE-CE2 4.05Å; M1-F54 HydrophobicContact CE-CG 3.42Å; M1-F54 VanDerWaalsContact CE-CG 3.42Å; M1-F54 HydrophobicContact SD-CB 3.54Å; M1-F54 VanDerWaalsContact SD-CB 3.54Å; M1-F54 HydrophobicContact SD-CD2 3.5Å; M1-F54 VanDerWaalsContact SD-CD2 3.5Å; M1-F54 HydrophobicContact SD-CE2 4.45Å; M1-F54 HydrophobicContact SD-CG 3.89Å; F3-F54 HydrophobicContact CE2-CE2 4.11Å; F3-F54 HydrophobicContact CZ-CD2 4.34Å; F3-F54 AromaticContact CZ-CE2 3.77Å; F3-F54 HydrophobicContact CZ-CE2 3.77Å; F3-F54 HydrophobicContact CZ-CZ 4.44Å; M5-F54 HydrophobicContact CE-CD2 3.63Å; M5-F54 HydrophobicContact CE-CE2 3.74Å; M5-F54 HydrophobicContact SD-CD2 3.86Å; M5-F54 HydrophobicContact SD-CE2 3.28Å; M5-F54 WeakPolarHBondContact SD-CE2 3.3Å; M5-F54 HydrophobicContact SD-CZ 4.26Å; L34-F54 HydrophobicContact CD1-CE2 4.12Å; L34-F54 HydrophobicContact CD1-CZ 3.96Å; C37-F54 HydrophobicContact CB-CD1 4.24Å; C37-F54 HydrophobicContact CB-CE1 3.67Å; C37-F54 VanDerWaalsContact SG-CD1 3.6Å; C37-F54 WeakPolarHBondContact SG-CE1 3.3Å; L42-F54 HydrophobicContact CD1-CE1 4.1Å; L42-F54 HydrophobicContact CD1-CZ 3.97Å; A50-F54 WeakPolarHBondContact O-CB 3.32Å; A50-F54 WeakPolarHBondContact O-CG 3.44Å; A50-F54 PolarHBondContact O-N 2.75Å; A51-F54 PolarHBondContact O-N 2.89Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.3Å; F54-F56 VanDerWaalsContact C-N 3.3Å; F54-F56 PolarHBondContact O-N 3.49Å; F54-W57 PolarHBondContact O-N 3.36Å; F54-M58 WeakPolarHBondContact O-CB 3.18Å; F54-M58 VanDerWaalsContact O-CG 3.3Å; F54-M58 WeakPolarHBondContact O-CG 3.29Å; F54-M58 PolarHBondContact O-N 3.31Å; F54-L64 HydrophobicContact CD1-CD1 4.02Å; F54-L66 HydrophobicContact CE1-CD2 3.67Å; F54-L66 HydrophobicContact CZ-CD2 3.78Å
55	R	91.4	Very high	90.1	Very high	130 Å²	130	60.3 Å²	60.3	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-58.8	-43.2	173.3	-74	-176.6	-65.3	-112.2	0.2	111.6	A51 S52 W57 M58 S59	A51-R55 WeakPolarHBondContact O-CG 3.44Å; A51-R55 PolarHBondContact O-N 3.36Å; S52-R55 PolarHBondContact O-N 2.96Å; S52-R55 PolarHBondContact OG-NH2 3.32Å; R55-W57 PolarHBondContact O-N 3.46Å; R55-M58 PolarHBondContact O-N 2.7Å; R55-S59 WeakPolarHBondContact O-CB 3.48Å; R55-S59 PolarHBondContact O-N 2.68Å; R55-S59 PolarHBondContact O-OG 2.96Å
56	F	90.9	Very high	90.1	Very high	93 Å²	93	59.9 Å²	59.9	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-60.5	-42.7	179.3	172	-82.4	0	0	0	112.8	S52 I53 F54 S59	S52-F56 VanDerWaalsContact O-CB 3.31Å; S52-F56 WeakPolarHBondContact O-CB 3.4Å; S52-F56 PolarHBondContact O-N 3.48Å; I53-F56 WeakPolarHBondContact O-CB 3.28Å; I53-F56 PolarHBondContact O-N 3.38Å; F54-F56 VanDerWaalsContact C-N 3.3Å; F54-F56 PolarHBondContact O-N 3.49Å; F56-S59 PolarHBondContact O-OG 2.75Å; F56-S59 VanDerWaalsContact O-OG 3.07Å
57	W	89	Confident	90.2	Very high	56 Å²	56	61.9 Å²	61.9	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-75.5	-41	178.8	-79.3	109.2	0	0	0	111.9	N38 I40 I53 F54 R55 S59 R60 S61 L64	N38-W57 HydrophobicContact CB-CH2 4.45Å; N38-W57 HydrophobicContact CB-CZ2 4.15Å; I40-W57 HydrophobicContact CD1-CZ2 4.44Å; I53-W57 PolarHBondContact O-N 3.39Å; F54-W57 PolarHBondContact O-N 3.36Å; R55-W57 PolarHBondContact O-N 3.46Å; W57-S59 PolarHBondContact O-N 2.95Å; W57-R60 PolarHBondContact O-N 2.91Å; W57-R60 VanDerWaalsContact O-N 3.11Å; W57-S61 PolarHBondContact O-N 3.39Å; W57-L64 HydrophobicContact CB-CD1 3.89Å
58	M	86.1	Confident	90.2	Very high	73 Å²	73	62.1 Å²	62.1	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-26.6	176.4	-75.9	-175.7	154.7	0	0	113.3	M1 F54 R55 L64	M1-M58 HydrophobicContact CE-CE 3.52Å; M1-M58 HydrophobicContact CE-SD 3.81Å; M1-M58 HydrophobicContact CG-CE 3.7Å; M1-M58 HydrophobicContact CG-SD 3.39Å; M1-M58 WeakPolarHBondContact CG-SD 3.48Å; M1-M58 HydrophobicContact SD-CE 4.5Å; M1-M58 HydrophobicContact SD-SD 4.26Å; F54-M58 WeakPolarHBondContact O-CB 3.18Å; F54-M58 VanDerWaalsContact O-CG 3.3Å; F54-M58 WeakPolarHBondContact O-CG 3.29Å; F54-M58 PolarHBondContact O-N 3.31Å; R55-M58 PolarHBondContact O-N 2.7Å; M58-L64 HydrophobicContact CG-CD1 4.46Å
59	S	87.5	Confident	90.3	Very high	91 Å²	91	59.9 Å²	59.9	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	176.8	75	0	0	0	0	114	R55 F56 W57	R55-S59 WeakPolarHBondContact O-CB 3.48Å; R55-S59 PolarHBondContact O-N 2.68Å; R55-S59 PolarHBondContact O-OG 2.96Å; F56-S59 PolarHBondContact O-OG 2.75Å; F56-S59 VanDerWaalsContact O-OG 3.07Å; W57-S59 PolarHBondContact O-N 2.95Å
60	R	85.9	Confident	90.3	Very high	160 Å²	160	61.4 Å²	61.4	60%	0.604	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-16.4	-173.9	-74.7	-175.3	173.1	74.6	-2.3	113.7	W57	W57-R60 PolarHBondContact O-N 2.91Å; W57-R60 VanDerWaalsContact O-N 3.11Å
61	S	82.2	Confident	90	Very high	37 Å²	37	66.7 Å²	66.7	26%	0.259	33%	0.327	S	S	.	.			trans	-143.3	136.9	-171.7	-57	0	0	0	0	109.6	W57 S63	W57-S61 PolarHBondContact O-N 3.39Å; S61-S63 PolarHBondContact O-N 2.64Å
62	D	79.8	Confident	89.9	Confident	138 Å²	138	72.1 Å²	72.1	74%	0.738	36%	0.364	S	S	*	.	S	Bend	trans	-74.3	-6	176.1	-52.6	-41.3	0	0	0	112.3	H163	D62-H163 PolarHBondContact O-N 3.3Å
63	S	82.6	Confident	89.8	Confident	44 Å²	44	72.2 Å²	72.2	31%	0.308	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143	-176.9	56.9	0	0	0	0	113.3	S61 F161	S61-S63 PolarHBondContact O-N 2.64Å; S63-F161 WeakPolarHBondContact CA-O 3.38Å; S63-F161 WeakPolarHBondContact CB-O 3.09Å
64	L	87.3	Confident	89.7	Confident	17 Å²	17	70.9 Å²	70.9	9%	0.089	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.1	178.6	-176.8	132.2	0	0	0	109.1	F54 W57 M58 L66 F161	F54-L64 HydrophobicContact CD1-CD1 4.02Å; W57-L64 HydrophobicContact CB-CD1 3.89Å; M58-L64 HydrophobicContact CG-CD1 4.46Å; L64-L66 HydrophobicContact CD2-CD1 3.93Å; L64-L66 HydrophobicContact CD2-CD2 3.7Å; L64-L66 HydrophobicContact CD2-CG 3.58Å; L64-F161 PolarHBondContact N-O 3.23Å; L64-F161 WeakPolarHBondContact O-CD2 2.96Å
65	T	91.3	Very high	89.7	Confident	37 Å²	37	76.8 Å²	76.8	23%	0.227	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.6	-178.9	-55.7	0	0	0	0	109.3	C37 N38 H159	C37-T65 CarbonylContact C-O 3.52Å; C37-T65 WeakPolarHBondContact CA-O 3.28Å; N38-T65 PolarHBondContact N-O 3.32Å; N38-T65 WeakPolarHBondContact OD1-CB 3.38Å; N38-T65 PolarHBondContact OD1-N 2.77Å; T65-H159 WeakPolarHBondContact CG2-O 3.35Å
66	L	93.8	Very high	89.8	Confident	10 Å²	10	74 Å²	74	5%	0.052	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.5	178.6	-67.8	174.5	0	0	0	110.4	L28 R36 C37 F54 L64 I68	L28-L66 HydrophobicContact CD1-CD1 4.2Å; L28-L66 HydrophobicContact CD2-CD1 4.38Å; R36-L66 WeakPolarHBondContact O-CA 3.19Å; C37-L66 HydrophobicContact CB-CD2 4.11Å; F54-L66 HydrophobicContact CE1-CD2 3.67Å; F54-L66 HydrophobicContact CZ-CD2 3.78Å; L64-L66 HydrophobicContact CD2-CD1 3.93Å; L64-L66 HydrophobicContact CD2-CD2 3.7Å; L64-L66 HydrophobicContact CD2-CG 3.58Å; L66-I68 HydrophobicContact CB-CG2 4.25Å
67	L	95.4	Very high	89.8	Confident	63 Å²	63	71.6 Å²	71.6	33%	0.33	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.7	162.7	-173	69.9	0	0	0	108	L35 R36 L158	L35-L67 HydrophobicContact CB-CB 4.45Å; L35-L67 HydrophobicContact CB-CD2 4.21Å; L35-L67 HydrophobicContact CB-CG 4.3Å; L35-L67 WeakPolarHBondContact CB-O 3.28Å; L35-L67 HydrophobicContact CD1-CD2 4.36Å; L35-L67 HydrophobicContact CD1-CG 4.45Å; L35-L67 PolarHBondContact N-O 2.9Å; R36-L67 HydrophobicContact CB-CB 3.76Å; R36-L67 HydrophobicContact CB-CD2 4.3Å; R36-L67 PolarHBondContact N-O 2.99Å; R36-L67 PolarHBondContact O-N 2.95Å; L67-L158 HydrophobicContact CD1-CG 4.35Å
68	I	95.9	Very high	90.1	Very high	38 Å²	38	69.4 Å²	69.4	20%	0.195	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.2	-179.1	62.7	158.3	0	0	0	111.8	L28 D32 R33 L34 L66	L28-I68 HydrophobicContact CD2-CG2 3.99Å; D32-I68 HydrophobicContact CB-CD1 4.28Å; D32-I68 WeakPolarHBondContact OD2-CD1 3.39Å; R33-I68 CarbonylContact O-C 3.54Å; R33-I68 VanDerWaalsContact O-CA 3.25Å; R33-I68 WeakPolarHBondContact O-CA 3.21Å; L34-I68 HydrophobicContact CD2-CG2 3.78Å; L66-I68 HydrophobicContact CB-CG2 4.25Å
69	E	94.9	Very high	90.4	Very high	77 Å²	77	71.3 Å²	71.3	36%	0.36	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	166.6	172.2	-172.6	-178.4	0	0	107.6	R33 L35	R33-E69 HydrophobicContact CB-CB 4.19Å; R33-E69 VanDerWaalsContact CD-OE2 3.3Å; R33-E69 WeakPolarHBondContact CD-OE2 3.44Å; R33-E69 PolarHBondContact N-O 2.86Å; R33-E69 IonicContact NH1-OE2 3.94Å; R33-E69 PolarHBondContact NH1-OE2 2.92Å; R33-E69 PolarHBondContact O-N 3.42Å; L35-E69 HydrophobicContact CD1-CB 3.87Å; L35-E69 HydrophobicContact CD2-CB 4.37Å; L35-E69 HydrophobicContact CG-CB 4.09Å
70	R	94.1	Very high	90.7	Very high	114 Å²	114	73.6 Å²	73.6	43%	0.43	37%	0.371	S	S	.	.			trans	-94.1	128.2	-178.2	-178.3	159.1	-69.4	157.4	0.9	110.5	H27 D32	H27-R70 PolarHBondContact O-NH2 3.34Å; D32-R70 WeakPolarHBondContact OD1-CG 3.39Å; D32-R70 IonicContact OD1-CZ 2.7Å; D32-R70 IonicContact OD1-NE 3.24Å; D32-R70 PolarHBondContact OD1-NE 3.24Å; D32-R70 IonicContact OD1-NH2 3.8Å; D32-R70 IonicContact OD2-CZ 3.49Å; D32-R70 IonicContact OD2-NE 2.94Å; D32-R70 PolarHBondContact OD2-NE 2.9Å; D32-R70 IonicContact OD2-NH2 3.79Å; D32-R70 PolarHBondContact OD2-NH2 2.88Å
71	R	90	Very high	91	Very high	111 Å²	111	71 Å²	71	42%	0.419	36%	0.361	S	S	.	.			trans	-108.5	138.6	174.1	-67.8	176.2	55.3	161.1	1.9	110.2	D73 G74	R71-D73 WeakPolarHBondContact CB-OD1 3.36Å; R71-D73 IonicContact CZ-OD1 3.5Å; R71-D73 IonicContact CZ-OD2 3.39Å; R71-D73 IonicContact NE-OD1 3.8Å; R71-D73 PolarHBondContact NE-OD1 3.04Å; R71-D73 VanDerWaalsContact NH2-CG 3.34Å; R71-D73 IonicContact NH2-OD1 2.99Å; R71-D73 PolarHBondContact NH2-OD1 3.47Å; R71-D73 VanDerWaalsContact NH2-OD1 3.11Å; R71-D73 IonicContact NH2-OD2 2.75Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.44Å; R71-G74 PolarHBondContact O-N 3.31Å
72	S	90.1	Very high	91.4	Very high	135 Å²	135	72.3 Å²	72.3	94%	0.944	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.5	176.2	49	0	0	0	0	112.7
73	D	91.8	Very high	92	Very high	62 Å²	62	74.3 Å²	74.3	33%	0.332	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.5	179.4	71	-27.6	0	0	0	114	R71 E75 S76 V77	R71-D73 WeakPolarHBondContact CB-OD1 3.36Å; R71-D73 IonicContact CZ-OD1 3.5Å; R71-D73 IonicContact CZ-OD2 3.39Å; R71-D73 IonicContact NE-OD1 3.8Å; R71-D73 PolarHBondContact NE-OD1 3.04Å; R71-D73 VanDerWaalsContact NH2-CG 3.34Å; R71-D73 IonicContact NH2-OD1 2.99Å; R71-D73 PolarHBondContact NH2-OD1 3.47Å; R71-D73 VanDerWaalsContact NH2-OD1 3.11Å; R71-D73 IonicContact NH2-OD2 2.75Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.44Å; D73-E75 PolarHBondContact O-N 3.42Å; D73-S76 PolarHBondContact O-N 3.22Å; D73-V77 WeakPolarHBondContact O-CG2 3.5Å; D73-V77 PolarHBondContact O-N 3.4Å
74	G	90.6	Very high	92.4	Very high	3 Å²	3	77.9 Å²	77.9	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-56	-48.1	-170.9	0	0	0	0	0	113.6	R71 V77 M78	R71-G74 PolarHBondContact O-N 3.31Å; G74-V77 WeakPolarHBondContact O-CB 3.45Å; G74-V77 PolarHBondContact O-N 3.3Å; G74-M78 WeakPolarHBondContact O-CG 3.28Å; G74-M78 PolarHBondContact O-N 3.11Å
75	E	92.2	Very high	92.5	Very high	123 Å²	123	79.6 Å²	79.6	58%	0.575	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-43.4	179.8	-173.8	176.8	-175.4	0	0	111.9	E30 D73 V77 M78 M79	E30-E75 PolarHBondContact O-N 3.27Å; D73-E75 PolarHBondContact O-N 3.42Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 2.9Å; E75-M78 PolarHBondContact O-N 2.91Å; E75-M79 WeakPolarHBondContact O-CB 3.5Å; E75-M79 PolarHBondContact O-N 3.33Å
76	S	93.9	Very high	92.4	Very high	73 Å²	73	87.5 Å²	87.5	51%	0.51	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-38.7	176.3	-70.1	0	0	0	0	111.9	D73 R80	D73-S76 PolarHBondContact O-N 3.22Å; S76-R80 WeakPolarHBondContact O-CB 3.49Å; S76-R80 PolarHBondContact O-N 3.18Å
77	V	92.2	Very high	92	Very high	42 Å²	42	91.5 Å²	91.5	26%	0.255	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-45.6	174.8	170.9	0	0	0	0	110.8	D73 G74 E75 R80 R81	D73-V77 WeakPolarHBondContact O-CG2 3.5Å; D73-V77 PolarHBondContact O-N 3.4Å; G74-V77 WeakPolarHBondContact O-CB 3.45Å; G74-V77 PolarHBondContact O-N 3.3Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 2.9Å; V77-R80 PolarHBondContact O-N 2.89Å; V77-R81 WeakPolarHBondContact O-CB 3.42Å; V77-R81 PolarHBondContact O-N 3.2Å
78	M	93.8	Very high	91.6	Very high	9 Å²	9	91 Å²	91	4%	0.044	43%	0.434	C	S	.	.	H	α-helix	trans	-66.7	-40.3	178.3	-66.8	-55.1	146.8	0	0	112.2	V6 F14 G74 E75 R80 R81 R82	V6-M78 HydrophobicContact CG2-SD 4.11Å; F14-M78 HydrophobicContact CB-CE 3.51Å; F14-M78 HydrophobicContact CD1-CE 4.28Å; F14-M78 HydrophobicContact CG-CE 3.93Å; G74-M78 WeakPolarHBondContact O-CG 3.28Å; G74-M78 PolarHBondContact O-N 3.11Å; E75-M78 PolarHBondContact O-N 2.91Å; M78-R80 PolarHBondContact O-N 3.44Å; M78-R81 PolarHBondContact O-N 3.41Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.32Å
79	M	92.4	Very high	91	Very high	114 Å²	114	91.5 Å²	91.5	56%	0.562	44%	0.436	S	S	*	.	H	α-helix	trans	-59.4	-47.7	173.9	-175.3	-176.8	-71.3	0	0	111.6	E75 R81 R82 R83	E75-M79 WeakPolarHBondContact O-CB 3.5Å; E75-M79 PolarHBondContact O-N 3.33Å; M79-R81 VanDerWaalsContact C-N 3.35Å; M79-R81 PolarHBondContact O-N 3.29Å; M79-R82 PolarHBondContact O-N 3.11Å; M79-R83 WeakPolarHBondContact O-CB 3.35Å; M79-R83 PolarHBondContact O-N 3.14Å
80	R	93.5	Very high	90.3	Very high	138 Å²	138	91.6 Å²	91.6	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-60.7	-44.3	177.5	-170.2	-175.2	-55.8	108	2.2	111.5	S76 V77 M78 R83 Q84	S76-R80 WeakPolarHBondContact O-CB 3.49Å; S76-R80 PolarHBondContact O-N 3.18Å; V77-R80 PolarHBondContact O-N 2.89Å; M78-R80 PolarHBondContact O-N 3.44Å; R80-R83 PolarHBondContact O-N 2.94Å; R80-Q84 WeakPolarHBondContact O-CG 3.37Å; R80-Q84 PolarHBondContact O-N 3.3Å
81	R	92.3	Very high	89.7	Confident	106 Å²	106	90.5 Å²	90.5	40%	0.4	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-47.1	177.4	179.9	173.9	175.2	-86.9	-4.6	111.9	V6 D16 V77 M78 M79 R83 Q84 A85	V6-R81 VanDerWaalsContact CG2-NH1 3.29Å; D16-R81 IonicContact OD1-NH1 3.39Å; D16-R81 PolarHBondContact OD1-NH1 3.47Å; V77-R81 WeakPolarHBondContact O-CB 3.42Å; V77-R81 PolarHBondContact O-N 3.2Å; M78-R81 PolarHBondContact O-N 3.41Å; M79-R81 VanDerWaalsContact C-N 3.35Å; M79-R81 PolarHBondContact O-N 3.29Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R81-R83 PolarHBondContact O-N 2.91Å; R81-Q84 PolarHBondContact O-N 3.29Å; R81-A85 PolarHBondContact O-N 2.9Å
82	R	91.9	Very high	89	Confident	64 Å²	64	89.2 Å²	89.2	24%	0.242	45%	0.446	C	S	.	.	H	α-helix	trans	-62.7	-40	176.4	-72.4	-172	-60	-107.2	7	112.1	D16 E30 M78 M79 A85 R86	D16-R82 PolarHBondContact O-NH1 3.36Å; E30-R82 VanDerWaalsContact CD-NH1 3.28Å; E30-R82 IonicContact OE1-CZ 3.57Å; E30-R82 IonicContact OE1-NH1 3.11Å; E30-R82 PolarHBondContact OE1-NH1 3.23Å; E30-R82 IonicContact OE1-NH2 2.76Å; E30-R82 IonicContact OE2-CZ 3.72Å; E30-R82 IonicContact OE2-NH1 3.76Å; E30-R82 PolarHBondContact OE2-NH1 2.99Å; E30-R82 IonicContact OE2-NH2 2.76Å; E30-R82 PolarHBondContact OE2-NH2 3.45Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.32Å; M79-R82 PolarHBondContact O-N 3.11Å; R82-A85 PolarHBondContact O-N 2.94Å; R82-R86 WeakPolarHBondContact O-CG 3.39Å; R82-R86 PolarHBondContact O-N 3.43Å
83	R	92.3	Very high	88.4	Confident	181 Å²	181	89.1 Å²	89.1	68%	0.683	43%	0.431	S	S	*	.	H	α-helix	trans	-61.8	-46.1	174.7	-174.5	178.7	-179.9	-175.1	-0.3	111.3	M79 R80 R81 R86 L87	M79-R83 WeakPolarHBondContact O-CB 3.35Å; M79-R83 PolarHBondContact O-N 3.14Å; R80-R83 PolarHBondContact O-N 2.94Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R81-R83 PolarHBondContact O-N 2.91Å; R83-R86 PolarHBondContact O-N 2.9Å; R83-L87 HydrophobicContact CG-CD1 4.23Å; R83-L87 WeakPolarHBondContact O-CG 3.3Å; R83-L87 PolarHBondContact O-N 3.17Å
84	Q	90.7	Very high	87.6	Confident	119 Å²	119	93.3 Å²	93.3	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-61.2	-45.4	177.2	-75.9	174.2	-23	0	0	111.9	R80 R81 R86 L87 S88	R80-Q84 WeakPolarHBondContact O-CG 3.37Å; R80-Q84 PolarHBondContact O-N 3.3Å; R81-Q84 PolarHBondContact O-N 3.29Å; Q84-R86 VanDerWaalsContact C-N 3.28Å; Q84-R86 PolarHBondContact O-N 3.49Å; Q84-L87 PolarHBondContact O-N 3.01Å; Q84-S88 PolarHBondContact O-N 3.36Å
85	A	88.3	Confident	86.7	Confident	53 Å²	53	98.5 Å²	98.5	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-62	-35.3	176.1	0	0	0	0	0	112.4	R81 R82 S88 M89	R81-A85 PolarHBondContact O-N 2.9Å; R82-A85 PolarHBondContact O-N 2.94Å; A85-S88 PolarHBondContact O-OG 3.44Å; A85-M89 VanDerWaalsContact O-CG 3.23Å; A85-M89 WeakPolarHBondContact O-CG 3.49Å; A85-M89 PolarHBondContact O-N 2.91Å
86	R	89.8	Confident	85.6	Confident	203 Å²	203	99.1 Å²	99.1	77%	0.766	47%	0.468	S	S	*	.	H	α-helix	trans	-66.9	-41.9	173.8	-80.1	177.1	152	164.6	-5.6	112.4	R82 R83 Q84 M89 C90	R82-R86 WeakPolarHBondContact O-CG 3.39Å; R82-R86 PolarHBondContact O-N 3.43Å; R83-R86 PolarHBondContact O-N 2.9Å; Q84-R86 VanDerWaalsContact C-N 3.28Å; Q84-R86 PolarHBondContact O-N 3.49Å; R86-M89 PolarHBondContact O-N 3.02Å; R86-C90 PolarHBondContact O-N 2.84Å
87	L	86.4	Confident	84.3	Confident	94 Å²	94	99.4 Å²	99.4	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-68.1	-42.2	179.6	-69.9	171.1	0	0	0	111.9	R83 Q84 M89 C90 N91	R83-L87 HydrophobicContact CG-CD1 4.23Å; R83-L87 WeakPolarHBondContact O-CG 3.3Å; R83-L87 PolarHBondContact O-N 3.17Å; Q84-L87 PolarHBondContact O-N 3.01Å; L87-M89 VanDerWaalsContact C-N 3.25Å; L87-M89 PolarHBondContact O-N 3.36Å; L87-C90 PolarHBondContact O-N 3.07Å; L87-N91 PolarHBondContact O-N 3.36Å
88	S	86.8	Confident	82.7	Confident	51 Å²	51	104.3 Å²	104.3	36%	0.357	48%	0.481	S	S	.	.	H	α-helix	trans	-58.5	-42.2	176.4	65.6	0	0	0	0	111	Q84 A85 C90 N91 E92	Q84-S88 PolarHBondContact O-N 3.36Å; A85-S88 PolarHBondContact O-OG 3.44Å; S88-C90 PolarHBondContact O-N 3.34Å; S88-N91 PolarHBondContact O-N 3.19Å; S88-E92 WeakPolarHBondContact O-CG 3.34Å; S88-E92 PolarHBondContact O-N 3.28Å
89	M	82.4	Confident	80.6	Confident	50 Å²	50	111.5 Å²	111.5	25%	0.246	51%	0.514	C	S	.	.	H	α-helix	trans	-64.1	-38.3	177.9	-69.7	-51.9	-36.2	0	0	114.1	A85 R86 L87 E92 Q93 R177	A85-M89 VanDerWaalsContact O-CG 3.23Å; A85-M89 WeakPolarHBondContact O-CG 3.49Å; A85-M89 PolarHBondContact O-N 2.91Å; R86-M89 PolarHBondContact O-N 3.02Å; L87-M89 VanDerWaalsContact C-N 3.25Å; L87-M89 PolarHBondContact O-N 3.36Å; M89-E92 WeakPolarHBondContact CE-OE2 3.49Å; M89-Q93 PolarHBondContact O-N 3.36Å; M89-R177 PolarHBondContact SD-NH1 2.99Å
90	C	80.6	Confident	78.7	Confident	79 Å²	79	111.6 Å²	111.6	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-68	-40.1	177	-171.6	0	0	0	0	111.4	R86 L87 S88 Q93 R94	R86-C90 PolarHBondContact O-N 2.84Å; L87-C90 PolarHBondContact O-N 3.07Å; S88-C90 PolarHBondContact O-N 3.34Å; C90-Q93 PolarHBondContact O-N 2.99Å; C90-R94 PolarHBondContact O-N 3.26Å; C90-R94 VanDerWaalsContact O-N 3.09Å
91	N	81	Confident	76.6	Confident	91 Å²	91	110.9 Å²	110.9	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-46.6	177.1	-73	-7.8	0	0	0	111.7	L87 S88 Q93 R94 E95	L87-N91 PolarHBondContact O-N 3.36Å; S88-N91 PolarHBondContact O-N 3.19Å; N91-Q93 VanDerWaalsContact C-N 3.32Å; N91-Q93 PolarHBondContact O-N 3.41Å; N91-R94 WeakPolarHBondContact O-CB 3.45Å; N91-R94 PolarHBondContact O-N 3.46Å; N91-R94 VanDerWaalsContact O-N 3.1Å; N91-E95 PolarHBondContact O-N 3.05Å
92	E	76.9	Confident	74.5	Confident	84 Å²	84	111.1 Å²	111.1	39%	0.393	55%	0.55	S	S	.	.	H	α-helix	trans	-57.2	-44.4	176.6	-74.7	168.9	-157.1	0	0	111.8	S88 M89 R94 E95 Q96	S88-E92 WeakPolarHBondContact O-CG 3.34Å; S88-E92 PolarHBondContact O-N 3.28Å; M89-E92 WeakPolarHBondContact CE-OE2 3.49Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.31Å; E92-E95 PolarHBondContact O-N 3.33Å; E92-Q96 WeakPolarHBondContact O-CG 3.32Å; E92-Q96 PolarHBondContact O-N 3.21Å
93	Q	76	Confident	72.3	Confident	133 Å²	133	110.3 Å²	110.3	62%	0.621	56%	0.561	S	S	*	*	H	α-helix	trans	-64.8	-35.5	178.2	-167.9	171.8	3.2	0	0	112.1	M89 C90 N91 T97	M89-Q93 PolarHBondContact O-N 3.36Å; C90-Q93 PolarHBondContact O-N 2.99Å; N91-Q93 VanDerWaalsContact C-N 3.32Å; N91-Q93 PolarHBondContact O-N 3.41Å; Q93-T97 WeakPolarHBondContact O-CG2 3.36Å; Q93-T97 PolarHBondContact O-N 3.42Å; Q93-T97 VanDerWaalsContact O-N 3.11Å; Q93-T97 PolarHBondContact O-OG1 3.46Å
94	R	74.6	Confident	70	Confident	150 Å²	150	113.6 Å²	113.6	57%	0.566	57%	0.573	S	S	*	*	H	α-helix	trans	-69.3	-36.9	174.5	-170.8	179.4	-179.2	-168.8	1.7	112.3	C90 N91 E92 T97 R98	C90-R94 PolarHBondContact O-N 3.26Å; C90-R94 VanDerWaalsContact O-N 3.09Å; N91-R94 WeakPolarHBondContact O-CB 3.45Å; N91-R94 PolarHBondContact O-N 3.46Å; N91-R94 VanDerWaalsContact O-N 3.1Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.31Å; R94-T97 WeakPolarHBondContact CA-OG1 3.31Å; R94-T97 PolarHBondContact O-OG1 2.95Å; R94-R98 VanDerWaalsContact O-CG 3.32Å; R94-R98 WeakPolarHBondContact O-CG 3.23Å; R94-R98 PolarHBondContact O-N 2.94Å; R94-R98 VanDerWaalsContact O-N 3.15Å
95	E	72	Confident	67.5	Low	111 Å²	111	111.8 Å²	111.8	52%	0.519	58%	0.579	S	S	.	*	H	α-helix	trans	-67.8	-45.7	175.9	-74	172.5	-174	0	0	111.2	N91 E92 T97 R98 H99	N91-E95 PolarHBondContact O-N 3.05Å; E92-E95 PolarHBondContact O-N 3.33Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 3.09Å; E95-R98 WeakPolarHBondContact O-CB 3.43Å; E95-R98 PolarHBondContact O-N 3.18Å; E95-R98 VanDerWaalsContact O-N 3.14Å; E95-H99 PolarHBondContact O-CD2 2.9Å; E95-H99 VanDerWaalsContact O-CD2 3.26Å; E95-H99 PolarHBondContact O-N 3.43Å
96	Q	70.3	Confident	65.3	Low	136 Å²	136	115.8 Å²	115.8	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-59.3	-40.8	176.1	-71.2	174.5	9.8	0	0	112.3	E92 H99	E92-Q96 WeakPolarHBondContact O-CG 3.32Å; E92-Q96 PolarHBondContact O-N 3.21Å; Q96-H99 PolarHBondContact O-N 3.23Å
97	T	65.3	Low	62.8	Low	80 Å²	80	112.7 Å²	112.7	49%	0.491	60%	0.596	S	S	.	*	H	α-helix	trans	-70.3	-28.5	177.4	47.7	0	0	0	0	113.5	Q93 R94 E95 V100	Q93-T97 WeakPolarHBondContact O-CG2 3.36Å; Q93-T97 PolarHBondContact O-N 3.42Å; Q93-T97 VanDerWaalsContact O-N 3.11Å; Q93-T97 PolarHBondContact O-OG1 3.46Å; R94-T97 WeakPolarHBondContact CA-OG1 3.31Å; R94-T97 PolarHBondContact O-OG1 2.95Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 3.09Å; T97-V100 PolarHBondContact O-N 3.09Å
98	R	59.4	Low	60.5	Low	144 Å²	144	119 Å²	119	54%	0.543	61%	0.613	S	S	.	*	H	α-helix	trans	-65.6	-36.4	174.2	-78.7	170.5	168	175.6	-5.5	112.9	R94 E95 V100 V101	R94-R98 VanDerWaalsContact O-CG 3.32Å; R94-R98 WeakPolarHBondContact O-CG 3.23Å; R94-R98 PolarHBondContact O-N 2.94Å; R94-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 WeakPolarHBondContact O-CB 3.43Å; E95-R98 PolarHBondContact O-N 3.18Å; E95-R98 VanDerWaalsContact O-N 3.14Å; R98-V100 PolarHBondContact O-N 3.06Å; R98-V101 PolarHBondContact O-N 3.15Å
99	H	48.9	Very low	57.9	Low	160 Å²	160	123.9 Å²	123.9	74%	0.741	63%	0.632	S	S	*	*	H	α-helix	trans	-70	-18.7	178.2	-75.6	-76.9	0	0	0	113.8	E95 Q96	E95-H99 PolarHBondContact O-CD2 2.9Å; E95-H99 VanDerWaalsContact O-CD2 3.26Å; E95-H99 PolarHBondContact O-N 3.43Å; Q96-H99 PolarHBondContact O-N 3.23Å
100	V	52.8	Low	55.8	Low	116 Å²	116	127.2 Å²	127.2	70%	0.703	66%	0.656	S	S	*	*	H	α-helix	trans	-79.2	-25.1	176.2	-175.6	0	0	0	0	111.9	T97 R98	T97-V100 PolarHBondContact O-N 3.09Å; R98-V100 PolarHBondContact O-N 3.06Å
101	V	51	Low	54	Low	124 Å²	124	129 Å²	129	75%	0.752	67%	0.669	S	S	*	*	H	α-helix	trans	-89.3	-15.8	-174.2	-173.6	0	0	0	0	112.9	R98	R98-V101 PolarHBondContact O-N 3.15Å
102	S	48.2	Very low	51.9	Low	111 Å²	111	130 Å²	130	78%	0.776	68%	0.683	S	S	*	*	S	Bend	trans	-90.1	-6.9	179.9	-167.2	0	0	0	0	114.5
103	G	44.4	Very low	50.4	Low	47 Å²	47	137.8 Å²	137.8	49%	0.485	71%	0.709	S	S	.	*	S	Bend	trans	-82.9	122.8	165.9	0	0	0	0	0	108.7	A105	G103-A105 PolarHBondContact O-N 3.4Å
104	R	43.5	Very low	48.4	Very low	249 Å²	249	137.2 Å²	137.2	94%	0.94	72%	0.72	S	S	*	*			trans	-37.3	106.9	171.2	-94.4	171.9	137.7	152.8	-5.9	110.4	T106	R104-T106 PolarHBondContact O-N 2.97Å
105	A	38.2	Very low	46.4	Very low	82 Å²	82	134.4 Å²	134.4	68%	0.678	73%	0.728	S	S	*	*			trans	-68.8	97.6	175.5	0	0	0	0	0	108.8	G103 L107	G103-A105 PolarHBondContact O-N 3.4Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 HydrophobicContact CB-CG 4.44Å; A105-L107 PolarHBondContact O-N 3.37Å; A105-L107 VanDerWaalsContact O-N 3.12Å
106	T	42.6	Very low	44.4	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	74%	0.743	S	S	*	*			trans	-76	90.8	156.1	42.3	0	0	0	0	106.9	R104 R108	R104-T106 PolarHBondContact O-N 2.97Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.1Å
107	L	37.7	Very low	42.6	Very low	137 Å²	137	136.3 Å²	136.3	72%	0.717	75%	0.745	S	S	*	*			trans	-64.2	91.1	171.4	-69.9	170.6	0	0	0	108.8	A105 M109	A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 HydrophobicContact CB-CG 4.44Å; A105-L107 PolarHBondContact O-N 3.37Å; A105-L107 VanDerWaalsContact O-N 3.12Å; L107-M109 HydrophobicContact CB-CE 4.26Å; L107-M109 HydrophobicContact CD2-CE 4Å; L107-M109 PolarHBondContact O-N 2.94Å
108	R	37.6	Very low	40.7	Very low	228 Å²	228	141.8 Å²	141.8	86%	0.86	76%	0.762	S	S	*	*			trans	-82.9	93.8	160.1	-145.1	175.5	-171.2	146.3	1.2	106.6	T106 T110	T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.1Å; R108-T110 PolarHBondContact O-N 2.91Å
109	M	31.9	Very low	39.4	Very low	153 Å²	153	145.4 Å²	145.4	75%	0.754	78%	0.776	S	S	*	*			trans	-63.1	97	172.8	-66.9	-78.9	90.5	0	0	108.6	L107	L107-M109 HydrophobicContact CB-CE 4.26Å; L107-M109 HydrophobicContact CD2-CE 4Å; L107-M109 PolarHBondContact O-N 2.94Å
110	T	38.6	Very low	38.4	Very low	120 Å²	120	144.6 Å²	144.6	74%	0.736	79%	0.786	S	S	*	*			trans	-91.1	104.2	159.4	51	0	0	0	0	106.9	R108 S112	R108-T110 PolarHBondContact O-N 2.91Å; T110-S112 PolarHBondContact O-N 3.38Å
111	S	42.8	Very low	37.3	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	79%	0.79	S	S	*	*			trans	-60.2	104	171.2	55	0	0	0	0	109
112	S	36.5	Very low	36.3	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	80%	0.797	S	S	*	*			trans	-151.4	116	162.9	-70.9	0	0	0	0	108.8	T110 S114	T110-S112 PolarHBondContact O-N 3.38Å; S112-S114 PolarHBondContact O-N 3.47Å
113	R	45.4	Very low	35.4	Very low	246 Å²	246	144.2 Å²	144.2	93%	0.928	79%	0.794	S	S	*	*			trans	-43.7	126.1	-178	-71.5	165.2	166.3	172	-5.7	112.6
114	S	34.9	Very low	34.7	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	81%	0.809	S	S	*	*			trans	138.5	81.5	139.6	-58.6	0	0	0	0	111.9	S112	S112-S114 PolarHBondContact O-N 3.47Å
115	A	32.4	Very low	34.3	Very low	91 Å²	91	141.2 Å²	141.2	75%	0.752	80%	0.798	S	S	*	*			trans	-130.9	94.8	156.4	0	0	0	0	0	106.3	V117	A115-V117 PolarHBondContact O-N 3.14Å
116	E	30.3	Very low	33.8	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	81%	0.812	S	S	*	*			trans	-67.1	105.2	169.7	-72.4	-173.2	161.7	0	0	108.1	F118	E116-F118 PolarHBondContact O-N 2.92Å
117	V	31.4	Very low	33.5	Very low	111 Å²	111	152 Å²	152	67%	0.673	81%	0.813	S	S	*	*			trans	-70.1	104.6	170.9	179	0	0	0	0	107.4	A115 R119	A115-V117 PolarHBondContact O-N 3.14Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 HydrophobicContact CG1-CG 3.76Å; V117-R119 PolarHBondContact O-N 3.34Å
118	F	27	Very low	33.3	Very low	196 Å²	196	153.9 Å²	153.9	86%	0.86	82%	0.82	S	S	*	*			trans	-74.2	92.1	163.3	-95.3	-89.6	0	0	0	108.7	E116	E116-F118 PolarHBondContact O-N 2.92Å
119	R	30.5	Very low	32.7	Very low	219 Å²	219	151.9 Å²	151.9	83%	0.826	82%	0.817	S	S	*	*			trans	-68.6	129	167	-71.9	-173.5	177	131.4	-2.4	108.9	V117 G121	V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 HydrophobicContact CG1-CG 3.76Å; V117-R119 PolarHBondContact O-N 3.34Å; R119-G121 PolarHBondContact O-N 3.11Å
120	C	29	Very low	32.6	Very low	143 Å²	143	149.5 Å²	149.5	97%	0.966	82%	0.815	S	S	*	*			trans	-66.8	123.9	158.8	-118.4	0	0	0	0	108
121	G	29.3	Very low	32.3	Very low	76 Å²	76	149.9 Å²	149.9	78%	0.784	82%	0.82	S	S	*	*			trans	-132.8	116.3	171.8	0	0	0	0	0	108.8	R119	R119-G121 PolarHBondContact O-N 3.11Å
122	D	29.9	Very low	31.4	Very low	165 Å²	165	153.2 Å²	153.2	88%	0.882	82%	0.82	S	S	*	*			trans	-73.2	152	176.6	-94.2	-37.8	0	0	0	112.5
123	S	29.9	Very low	31	Very low	102 Å²	102	158.2 Å²	158.2	71%	0.713	82%	0.823	S	S	*	*			trans	90.1	98	151.1	79.6	0	0	0	0	120
124	T	30	Very low	30	Very low	133 Å²	133	153.7 Å²	153.7	82%	0.816	81%	0.813	S	S	*	*				148.6	130.9	105.4	49.9	0	0	0	0	115
125	S	33.9	Very low	29.9	Very low	101 Å²	101	152.1 Å²	152.1	71%	0.706	80%	0.802	S	S	*	*			trans	50.3	104.4	160.9	72.6	0	0	0	0	120.8
126	F	28.2	Very low	29.7	Very low	221 Å²	221	156.1 Å²	156.1	97%	0.969	80%	0.802	S	S	*	*				-144.3	123.9	128.2	-93.5	-78	0	0	0	110.6
127	R	37	Very low	29.9	Very low	225 Å²	225	155.2 Å²	155.2	85%	0.849	80%	0.803	S	S	*	*			trans	-77.8	115.7	-179.2	177.3	-172.1	-165.5	-164.5	6.2	109.5
128	M	31.7	Very low	30	Very low	176 Å²	176	155.7 Å²	155.7	87%	0.867	81%	0.806	S	S	*	*			trans	-141.6	116.3	153.6	-84	-58.4	150.3	0	0	112
129	K	26.6	Very low	30.3	Very low	185 Å²	185	151.4 Å²	151.4	80%	0.804	80%	0.801	S	S	*	*			trans	-16.3	126.2	169.9	-64	164.5	-179.9	176.7	0	117.2
130	S	30.3	Very low	30.7	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.6	158.6	47	0	0	0	0	112.1	K132	S130-K132 PolarHBondContact O-N 3.35Å
131	P	31.2	Very low	31	Very low	129 Å²	129	145.3 Å²	145.3	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.3	121.4	158.5	-11	27	0	0	0	109
132	K	24.1	Very low	31.5	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.2	132.9	173.5	-68.5	171.8	174.6	179.6	0	109.8	S130 E134	S130-K132 PolarHBondContact O-N 3.35Å; K132-E134 PolarHBondContact O-N 3.35Å
133	Y	27.1	Very low	31.9	Very low	218 Å²	218	147.1 Å²	147.1	86%	0.855	78%	0.784	S	S	*	*			trans	-76.4	103.6	162.5	-177.1	-99.5	0	0	0	107.5
134	E	26.3	Very low	32.3	Very low	151 Å²	151	148 Å²	148	71%	0.706	79%	0.791	S	S	*	*			trans	-89	111.1	167.3	-89.8	-176	170.8	0	0	109.2	K132	K132-E134 PolarHBondContact O-N 3.35Å
135	S	32.5	Very low	32.8	Very low	88 Å²	88	147.3 Å²	147.3	62%	0.615	78%	0.78	S	S	*	*			trans	-64.3	126.5	164	47.6	0	0	0	0	110.6
136	F	26.8	Very low	32.9	Very low	175 Å²	175	146 Å²	146	77%	0.768	77%	0.771	S	S	*	*			trans	-114.7	113	158.8	-87.8	-84.3	0	0	0	109.8
137	N	34.9	Very low	33.3	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	77%	0.765	S	S	*	*			trans	-76	120.9	162.1	-77.5	-39.3	0	0	0	108.7
138	T	34.2	Very low	33.3	Very low	122 Å²	122	139.5 Å²	139.5	75%	0.748	76%	0.764	S	S	*	*			trans	-136.1	102.2	156.5	38	0	0	0	0	109.6
139	S	32	Very low	33.9	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	75%	0.751	S	S	*	*			trans	36	110.3	139.7	54.7	0	0	0	0	119.1
140	S	39.1	Very low	34.6	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	75%	0.749	S	S	*	*			trans	-2	140.9	150.5	-42.1	0	0	0	0	119
141	P	36.1	Very low	34.8	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	74%	0.743	S	S	*	*				-124.4	133.7	118.7	29	-17.3	0	0	0	111.1	K143	P141-K143 PolarHBondContact O-N 3.26Å
142	S	40.1	Very low	35	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	74%	0.736	S	S	*	*			trans	-41.5	119.9	178.2	50	0	0	0	0	113.7
143	K	38.3	Very low	35.5	Very low	159 Å²	159	130.3 Å²	130.3	69%	0.691	73%	0.734	S	S	*	*			trans	-93.4	111	164.9	-66.9	-179.7	-178.5	179.8	0	108.1	P141	P141-K143 PolarHBondContact O-N 3.26Å
144	S	38.6	Very low	35.7	Very low	121 Å²	121	131.4 Å²	131.4	85%	0.846	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.2	164.3	46.6	0	0	0	0	109
145	I	38.9	Very low	36.2	Very low	118 Å²	118	132.5 Å²	132.5	61%	0.605	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-93.5	125.9	177.6	-61.9	166.8	0	0	0	106.7	P147	I145-P147 WeakPolarHBondContact O-CD 3.32Å
146	C	36.1	Very low	36.6	Very low	74 Å²	74	133.8 Å²	133.8	50%	0.5	74%	0.742	S	S	.	*	P	Polyproline II helix	trans	-69.3	120.8	170.5	176.6	0	0	0	0	108.6	Q148	C146-Q148 PolarHBondContact O-N 3.37Å
147	P	38.4	Very low	37	Very low	130 Å²	130	132.9 Å²	132.9	84%	0.844	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	4.6	-170.8	29.4	-33.2	0	0	0	114	I145	I145-P147 WeakPolarHBondContact O-CD 3.32Å
148	Q	35.5	Very low	36.7	Very low	178 Å²	178	131.9 Å²	131.9	83%	0.832	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-15	-169.4	-139.2	154.5	-19.9	0	0	115.3	C146	C146-Q148 PolarHBondContact O-N 3.37Å
149	C	45.4	Very low	36.9	Very low	87 Å²	87	130 Å²	130	59%	0.588	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.5	6.5	-177.3	62.4	0	0	0	0	117.9	S151	C149-S151 PolarHBondContact O-N 2.99Å; C149-S151 PolarHBondContact O-OG 3.43Å
150	N	39.6	Very low	36.7	Very low	143 Å²	143	132.5 Å²	132.5	77%	0.765	71%	0.711	S	S	*	*			trans	36.4	35.9	168.5	-147.7	23.7	0	0	0	118.7
151	S	36.3	Very low	36.4	Very low	87 Å²	87	128.8 Å²	128.8	61%	0.608	68%	0.68	S	S	*	*			trans	-126.9	131.5	175.5	56.6	0	0	0	0	111.5	C149	C149-S151 PolarHBondContact O-N 2.99Å; C149-S151 PolarHBondContact O-OG 3.43Å
152	Q	34.5	Very low	35.9	Very low	148 Å²	148	128.4 Å²	128.4	69%	0.692	68%	0.68	S	S	*	*			trans	-103.7	99.9	177	-71.5	-176.2	-0.4	0	0	109.4
153	T	35.1	Very low	35.7	Very low	122 Å²	122	127 Å²	127	75%	0.748	66%	0.66	S	S	*	*			trans	-119	106.2	173.2	-48.2	0	0	0	0	109.3
154	R	31.6	Very low	35.1	Very low	240 Å²	240	122.5 Å²	122.5	91%	0.906	66%	0.659	S	S	*	*			trans	-96.3	108.6	167.2	-88.9	-176.9	164.4	-175.3	-4.4	108.8
155	M	37.1	Very low	35	Very low	175 Å²	175	125.8 Å²	125.8	86%	0.862	66%	0.659	S	S	*	*			trans	-89	106.2	167.6	-98.2	-102.3	-71.7	0	0	108.9
156	I	39.7	Very low	34.5	Very low	114 Å²	114	126.1 Å²	126.1	59%	0.585	67%	0.666	S	S	*	*			trans	-151.7	135.1	164.1	-43.6	175.8	0	0	0	110.6
157	Y	35.1	Very low	34.4	Very low	156 Å²	156	129 Å²	129	61%	0.612	68%	0.676	S	S	*	*			trans	134	115.5	138.1	-68	-68.5	0	0	0	116.4	H159	Y157-H159 WeakPolarHBondContact CB-NE2 3.37Å; Y157-H159 AromaticContact CD1-CE1 3.75Å; Y157-H159 AromaticContact CD1-NE2 3.65Å; Y157-H159 AromaticContact CG-NE2 3.54Å
158	L	27.9	Very low	33.9	Very low	136 Å²	136	128.6 Å²	128.6	71%	0.712	67%	0.667	S	S	*	*			trans	-95.2	126.1	161.5	-101	142.9	0	0	0	107.4	L67	L67-L158 HydrophobicContact CD1-CG 4.35Å
159	H	40.4	Very low	33.7	Very low	82 Å²	82	125.3 Å²	125.3	38%	0.38	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.8	137.1	177.3	-69.1	-59.4	0	0	0	112.6	T65 Y157 F161	T65-H159 WeakPolarHBondContact CG2-O 3.35Å; Y157-H159 WeakPolarHBondContact CB-NE2 3.37Å; Y157-H159 AromaticContact CD1-CE1 3.75Å; Y157-H159 AromaticContact CD1-NE2 3.65Å; Y157-H159 AromaticContact CG-NE2 3.54Å; H159-F161 HydrophobicContact CB-CE1 4.49Å; H159-F161 HydrophobicContact CB-CZ 4.08Å
160	Q	26	Very low	33.1	Very low	158 Å²	158	129.1 Å²	129.1	74%	0.738	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	-179.9	-175.4	174.7	0.8	0	0	108.6
161	F	33.5	Very low	32.7	Very low	41 Å²	41	134 Å²	134	18%	0.18	69%	0.685	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	124.9	179.9	-61.6	-61.5	0	0	0	110.9	H27 S63 L64 H159	H27-F161 HydrophobicContact CB-CE1 3.62Å; H27-F161 HydrophobicContact CB-CZ 3.38Å; H27-F161 AromaticContact CD2-CD1 3.88Å; H27-F161 AromaticContact CD2-CE1 3.09Å; H27-F161 WeakPolarHBondContact CD2-CE1 3.4Å; H27-F161 AromaticContact CD2-CZ 3.85Å; H27-F161 AromaticContact CE1-CE1 3.94Å; H27-F161 AromaticContact CG-CE1 3.22Å; H27-F161 AromaticContact CG-CZ 3.56Å; H27-F161 AromaticContact ND1-CE1 3.76Å; H27-F161 AromaticContact NE2-CE1 3.58Å; S63-F161 WeakPolarHBondContact CA-O 3.38Å; S63-F161 WeakPolarHBondContact CB-O 3.09Å; L64-F161 PolarHBondContact N-O 3.23Å; L64-F161 WeakPolarHBondContact O-CD2 2.96Å; H159-F161 HydrophobicContact CB-CE1 4.49Å; H159-F161 HydrophobicContact CB-CZ 4.08Å
162	S	26.2	Very low	32.4	Very low	107 Å²	107	138 Å²	138	75%	0.748	69%	0.691	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.6	134.2	164.4	51	0	0	0	0	109.8
163	H	34.5	Very low	32	Very low	90 Å²	90	138.7 Å²	138.7	42%	0.417	70%	0.699	S	S	.	*	P	Polyproline II helix	trans	-98.9	125.1	177.2	-96.5	-80.9	0	0	0	111.7	Q24 D62	Q24-H163 PolarHBondContact NE2-NE2 2.9Å; D62-H163 PolarHBondContact O-N 3.3Å
164	G	27.3	Very low	31.6	Very low	65 Å²	65	139.2 Å²	139.2	67%	0.67	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-79.6	139.7	156.1	0	0	0	0	0	110.6	V166	G164-V166 PolarHBondContact O-N 3.04Å
165	F	34.8	Very low	31.5	Very low	191 Å²	191	133.3 Å²	133.3	84%	0.838	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-51.5	121.6	-177.5	-125.9	-103.5	0	0	0	113.2
166	V	30.1	Very low	31.2	Very low	125 Å²	125	129.8 Å²	129.8	76%	0.758	68%	0.678	S	S	*	*			trans	-140.5	107.6	154.3	-172.5	0	0	0	0	108.6	G164 N168	G164-V166 PolarHBondContact O-N 3.04Å; V166-N168 PolarHBondContact O-N 2.87Å
167	N	34.3	Very low	30.9	Very low	133 Å²	133	132.6 Å²	132.6	71%	0.711	68%	0.682	S	S	*	*			trans	-60.3	119	165.6	-95.9	-45.4	0	0	0	108.9
168	N	27.5	Very low	30.8	Very low	123 Å²	123	128.4 Å²	128.4	66%	0.658	68%	0.675	S	S	*	*			trans	-153.1	109.7	152.7	-95.1	-29.5	0	0	0	109.2	V166 F170	V166-N168 PolarHBondContact O-N 2.87Å; N168-F170 HydrophobicContact CB-CD2 3.97Å; N168-F170 HydrophobicContact CB-CE2 3.75Å; N168-F170 PolarHBondContact O-N 2.99Å; N168-F170 VanDerWaalsContact O-N 3.09Å
169	A	30.6	Very low	31	Very low	108 Å²	108	127.7 Å²	127.7	89%	0.893	68%	0.681	S	S	*	*			trans	-64.7	102.1	173.3	0	0	0	0	0	109.5
170	F	32.6	Very low	30.6	Very low	167 Å²	167	133.7 Å²	133.7	73%	0.732	70%	0.702	S	S	*	*			trans	-110.1	115.1	168.5	-80.2	-75.8	0	0	0	110.5	N168 F172	N168-F170 HydrophobicContact CB-CD2 3.97Å; N168-F170 HydrophobicContact CB-CE2 3.75Å; N168-F170 PolarHBondContact O-N 2.99Å; N168-F170 VanDerWaalsContact O-N 3.09Å; F170-F172 PolarHBondContact O-N 3.12Å
171	R	30.6	Very low	30.7	Very low	247 Å²	247	131.6 Å²	131.6	93%	0.932	71%	0.705	S	S	*	*			trans	-51.9	126.2	172.7	-79.7	176.6	155.5	155.7	-5.7	110.4	L173	R171-L173 PolarHBondContact O-N 2.87Å
172	F	32	Very low	30.6	Very low	170 Å²	170	137.5 Å²	137.5	75%	0.746	74%	0.738	S	S	*	*			trans	-73	118	175.9	-66.6	-90.3	0	0	0	110.4	F170	F170-F172 PolarHBondContact O-N 3.12Å
173	L	25	Very low	30.9	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	76%	0.764	S	S	*	*			trans	-96.4	92.6	152.4	-77.6	170.6	0	0	0	107.5	R171 V175	R171-L173 PolarHBondContact O-N 2.87Å; L173-V175 VanDerWaalsContact C-N 3.28Å; L173-V175 PolarHBondContact O-N 3.46Å
174	I	27.3	Very low	30.8	Very low	132 Å²	132	147 Å²	147	68%	0.677	78%	0.782	S	S	*	*			trans	-69.8	95.5	158.7	-60.1	174.2	0	0	0	105.2	S176	I174-S176 PolarHBondContact O-N 3.01Å
175	V	28.2	Very low	30.9	Very low	116 Å²	116	151.3 Å²	151.3	70%	0.703	79%	0.787	S	S	*	*			trans	-74.7	80.5	163.1	-177.9	0	0	0	0	106.4	L173 R177	L173-V175 VanDerWaalsContact C-N 3.28Å; L173-V175 PolarHBondContact O-N 3.46Å; V175-R177 HydrophobicContact CG1-CG 4.25Å; V175-R177 PolarHBondContact O-N 2.95Å
176	S	31	Very low	30.7	Very low	101 Å²	101	149.1 Å²	149.1	71%	0.706	79%	0.785	S	S	*	*			trans	-69.9	108.9	158.3	178.7	0	0	0	0	106.5	I174	I174-S176 PolarHBondContact O-N 3.01Å
177	R	33.5	Very low	30.8	Very low	174 Å²	174	150.5 Å²	150.5	66%	0.657	79%	0.786	S	S	*	*			trans	-98.9	94.4	160.2	-90.9	-168.8	147.6	134.2	7.8	108.2	M89 V175	M89-R177 PolarHBondContact SD-NH1 2.99Å; V175-R177 HydrophobicContact CG1-CG 4.25Å; V175-R177 PolarHBondContact O-N 2.95Å
178	S	33.8	Very low	30.5	Very low	67 Å²	67	151.6 Å²	151.6	47%	0.469	79%	0.791	S	S	.	*			trans	38.1	121.3	134.8	-157.5	0	0	0	0	118.7	Y180	S178-Y180 WeakPolarHBondContact OG-CD2 3.47Å; S178-Y180 WeakPolarHBondContact OG-CE2 3.37Å; S178-Y180 PolarHBondContact OG-N 3.26Å
179	S	30.9	Very low	30.7	Very low	121 Å²	121	153.5 Å²	153.5	85%	0.846	80%	0.8	S	S	*	*			trans	-117.4	110.9	131.1	-60	0	0	0	0	107.7
180	Y	33.7	Very low	30.7	Very low	208 Å²	208	156.7 Å²	156.7	82%	0.816	79%	0.793	S	S	*	*			trans	-58.8	134.9	158.2	-70.4	-92.1	0	0	0	109.5	S178	S178-Y180 WeakPolarHBondContact OG-CD2 3.47Å; S178-Y180 WeakPolarHBondContact OG-CE2 3.37Å; S178-Y180 PolarHBondContact OG-N 3.26Å
181	S	27.5	Very low	30.6	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	80%	0.798	S	S	*	*			trans	-142.4	98.6	152.1	45.9	0	0	0	0	107.3
182	L	32	Very low	30.6	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	79%	0.787	S	S	*	*			trans	-70.8	122.1	154.2	-78.9	162.2	0	0	0	107
183	L	32.5	Very low	30.5	Very low	248 Å²	248	146.4 Å²	146.4	100%	1.298	79%	0.79	S	S	*	*			trans	-160.9	0	134.1	-96.8	169.9	0	0	0	107.1

Retrieved 183 of 183 residues in 87 ms (Link to these results)

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