A0A077ZMQ2_TRITR Loading...

Transcription antitermination protein nusg

AlphaFold DB , UniProt , Accession A0A077ZMQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.7	Very low	62.7	Low	244 Å²	244	115.5 Å²	115.5	100%	1.202	58%	0.579	S	S	*	*				0	110.5	0	-74.1	174	168.6	0	0	106.7	K3	M1-K3 PolarHBondContact O-N 2.82Å; M1-K3 VanDerWaalsContact O-N 3.15Å
2	A	38.7	Very low	65.3	Low	104 Å²	104	106.5 Å²	106.5	86%	0.86	53%	0.533	S	S	*	.			trans	-64	114.4	175.6	0	0	0	0	0	107.2	M4	A2-M4 PolarHBondContact O-N 3.15Å
3	K	42.5	Very low	67.5	Low	145 Å²	145	99.9 Å²	99.9	63%	0.63	50%	0.502	S	S	*	.			trans	-59.1	109.9	164.5	-108.2	176.2	170.7	-179	0	104.4	M1 E5	M1-K3 PolarHBondContact O-N 2.82Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-E5 PolarHBondContact O-N 2.79Å
4	M	44	Very low	69.4	Low	177 Å²	177	92.8 Å²	92.8	87%	0.872	47%	0.466	S	S	*	.			trans	-56.7	108.6	172	-163.8	128	65.4	0	0	105.3	A2 S6	A2-M4 PolarHBondContact O-N 3.15Å; M4-S6 PolarHBondContact O-N 3.4Å
5	E	45.2	Very low	70.9	Confident	81 Å²	81	91.9 Å²	91.9	38%	0.379	46%	0.459	S	S	.	.			trans	-60.6	95.3	168	-65.1	-105.3	121.7	0	0	104.4	K3 F7 K103	K3-E5 PolarHBondContact O-N 2.79Å; E5-F7 HydrophobicContact CB-CE2 4.34Å; E5-F7 WeakPolarHBondContact O-CD2 3.47Å; E5-F7 PolarHBondContact O-N 3.19Å; E5-F7 VanDerWaalsContact O-N 3.11Å; E5-K103 IonicContact OE1-NZ 2.95Å; E5-K103 PolarHBondContact OE1-NZ 3.37Å
6	S	54.9	Low	72.2	Confident	42 Å²	42	86.3 Å²	86.3	29%	0.294	43%	0.431	S	S	.	.			trans	-68.9	109.6	171.7	58.1	0	0	0	0	105.5	M4 E8 Q10	M4-S6 PolarHBondContact O-N 3.4Å; S6-E8 PolarHBondContact O-N 3.29Å; S6-Q10 PolarHBondContact OG-NE2 2.88Å
7	F	69.9	Low	73.3	Confident	157 Å²	157	89.7 Å²	89.7	69%	0.689	44%	0.44	S	S	*	.			trans	-70.5	14.1	168.3	-67.3	-84.7	0	0	0	112.2	E5 V76	E5-F7 HydrophobicContact CB-CE2 4.34Å; E5-F7 WeakPolarHBondContact O-CD2 3.47Å; E5-F7 PolarHBondContact O-N 3.19Å; E5-F7 VanDerWaalsContact O-N 3.11Å; F7-V76 WeakPolarHBondContact O-CG2 3.34Å
8	E	84.6	Confident	74	Confident	138 Å²	138	89.7 Å²	89.7	65%	0.645	45%	0.45	S	S	*	.	S	Bend	trans	-84.3	128.3	178.7	-63.3	-176	137.5	0	0	109.7	S6 Q10	S6-E8 PolarHBondContact O-N 3.29Å; E8-Q10 PolarHBondContact O-N 2.82Å; E8-Q10 PolarHBondContact O-NE2 2.78Å
9	K	89.2	Confident	74.6	Confident	122 Å²	122	87.7 Å²	87.7	53%	0.53	45%	0.454	S	S	.	.			trans	-57.5	125.5	170.1	60.9	-178.7	-173.7	166.5	0	109.7	F42 E74	K9-F42 HydrophobicContact CB-CD2 4.15Å; K9-F42 HydrophobicContact CB-CE2 3.98Å; K9-E74 HydrophobicContact CB-CG 4.41Å; K9-E74 IonicContact NZ-OE1 2.92Å
10	Q	92.7	Very high	75.5	Confident	45 Å²	45	89 Å²	89	21%	0.21	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157	-179.4	-78.6	164.5	84.4	0	0	109.7	S6 E8 Y12 E74 M75 P106	S6-Q10 PolarHBondContact OG-NE2 2.88Å; E8-Q10 PolarHBondContact O-N 2.82Å; E8-Q10 PolarHBondContact O-NE2 2.78Å; Q10-Y12 HydrophobicContact CB-CE2 3.71Å; Q10-Y12 WeakPolarHBondContact O-CD2 3.16Å; Q10-E74 WeakPolarHBondContact O-CA 3.39Å; Q10-M75 PolarHBondContact N-O 3.35Å; Q10-M75 PolarHBondContact O-N 3.08Å; Q10-M75 VanDerWaalsContact O-O 3.08Å; Q10-P106 HydrophobicContact CB-CB 3.95Å; Q10-P106 HydrophobicContact CG-CB 4.22Å; Q10-P106 VanDerWaalsContact OE1-CB 3.25Å
11	W	94.2	Very high	76.2	Confident	16 Å²	16	84.8 Å²	84.8	6%	0.061	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	177.9	-75.5	87	0	0	0	110.7	R43 V45 L72 V73 E74 P106 L107 I112 L116	W11-R43 HydrophobicContact CH2-CB 4.03Å; W11-R43 HydrophobicContact CH2-CG 4.08Å; W11-R43 HydrophobicContact CZ2-CB 4.48Å; W11-V45 HydrophobicContact CH2-CG2 3.82Å; W11-V45 HydrophobicContact CZ3-CB 4.42Å; W11-V45 HydrophobicContact CZ3-CG2 4.03Å; W11-L72 HydrophobicContact CE3-CB 3.89Å; W11-L72 HydrophobicContact CZ3-CB 3.8Å; W11-V73 CarbonylContact C-O 3.04Å; W11-V73 WeakPolarHBondContact CA-O 3.09Å; W11-E74 HydrophobicContact CD2-CB 3.84Å; W11-E74 HydrophobicContact CD2-CG 4.33Å; W11-E74 HydrophobicContact CE3-CB 4.05Å; W11-E74 HydrophobicContact CH2-CB 3.95Å; W11-E74 HydrophobicContact CZ2-CB 3.68Å; W11-E74 HydrophobicContact CZ2-CG 4.14Å; W11-E74 HydrophobicContact CZ3-CB 4.11Å; W11-P106 CarbonylContact O-C 3.44Å; W11-P106 VanDerWaalsContact O-CA 3.31Å; W11-P106 WeakPolarHBondContact O-CA 3.47Å; W11-L107 HydrophobicContact CB-CB 4.34Å; W11-L107 HydrophobicContact CB-CD1 4.46Å; W11-L107 PolarHBondContact O-N 2.84Å; W11-I112 HydrophobicContact CB-CB 4.24Å; W11-I112 HydrophobicContact CB-CD1 4Å; W11-I112 HydrophobicContact CB-CG1 3.99Å; W11-I112 HydrophobicContact CD2-CD1 3.43Å; W11-I112 VanDerWaalsContact CD2-CD1 3.43Å; W11-I112 HydrophobicContact CD2-CG1 3.61Å; W11-I112 HydrophobicContact CE3-CD1 3.55Å; W11-I112 HydrophobicContact CE3-CG1 4.27Å; W11-I112 HydrophobicContact CG-CB 4.17Å; W11-I112 HydrophobicContact CG-CD1 3.66Å; W11-I112 HydrophobicContact CG-CG1 3.47Å; W11-I112 VanDerWaalsContact CG-CG1 3.47Å; W11-I112 HydrophobicContact CG-CG2 4.45Å; W11-I112 HydrophobicContact CZ3-CD1 4.15Å; W11-L116 HydrophobicContact CH2-CD1 4.03Å; W11-L116 HydrophobicContact CH2-CD2 4.22Å; W11-L116 HydrophobicContact CZ2-CD1 3.69Å
12	Y	94.4	Very high	79	Confident	7 Å²	7	76.7 Å²	76.7	3%	0.027	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157	176.3	-58.9	-86.6	0	0	0	110.3	Q10 L72 V73 M75 M77 P104 P106	Q10-Y12 HydrophobicContact CB-CE2 3.71Å; Q10-Y12 WeakPolarHBondContact O-CD2 3.16Å; Y12-L72 WeakPolarHBondContact O-CA 3.48Å; Y12-V73 PolarHBondContact N-O 3.35Å; Y12-V73 PolarHBondContact O-N 2.82Å; Y12-M75 HydrophobicContact CD2-CG 3.46Å; Y12-M75 VanDerWaalsContact CD2-CG 3.46Å; Y12-M75 HydrophobicContact CD2-SD 4.17Å; Y12-M75 HydrophobicContact CE2-CG 3.84Å; Y12-M77 HydrophobicContact CD1-CE 3.74Å; Y12-M77 HydrophobicContact CD2-CE 3.77Å; Y12-M77 HydrophobicContact CE1-CE 3.63Å; Y12-M77 HydrophobicContact CE2-CB 4.1Å; Y12-M77 HydrophobicContact CE2-CE 3.63Å; Y12-M77 HydrophobicContact CG-CE 3.81Å; Y12-M77 VanDerWaalsContact OH-CB 3.28Å; Y12-M77 WeakPolarHBondContact OH-CB 3.32Å; Y12-P104 HydrophobicContact CD1-CB 4.12Å; Y12-P104 HydrophobicContact CD1-CG 3.73Å; Y12-P104 HydrophobicContact CE1-CG 4.1Å; Y12-P104 HydrophobicContact CG-CG 4.48Å; Y12-P106 HydrophobicContact CD1-CB 4.37Å; Y12-P106 HydrophobicContact CE1-CB 3.8Å
13	V	93.4	Very high	81.6	Confident	21 Å²	21	77.5 Å²	77.5	13%	0.127	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.9	178.2	-172.3	0	0	0	0	109.9	Y70 L72 V95 L107	V13-Y70 HydrophobicContact CG1-CD1 3.58Å; V13-Y70 HydrophobicContact CG1-CE1 4.37Å; V13-Y70 HydrophobicContact CG1-CG 4.44Å; V13-L72 HydrophobicContact CG1-CD2 4.45Å; V13-L72 HydrophobicContact CG2-CD2 3.83Å; V13-V95 HydrophobicContact CB-CB 3.99Å; V13-V95 HydrophobicContact CB-CG2 3.96Å; V13-V95 HydrophobicContact CG1-CB 4.23Å; V13-V95 HydrophobicContact CG1-CG2 3.66Å; V13-V95 PolarHBondContact O-N 3.31Å; V13-L107 HydrophobicContact CG2-CD1 3.56Å; V13-L107 HydrophobicContact CG2-CD2 3.69Å; V13-L107 HydrophobicContact CG2-CG 3.67Å
14	L	93.8	Very high	84.1	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.4	173.1	-49.9	-178.8	0	0	0	109.4	T16 L28 Y70 V71 V73 V85 F94	L14-T16 HydrophobicContact CB-CG2 4.43Å; L14-L28 HydrophobicContact CD1-CD1 3.57Å; L14-Y70 WeakPolarHBondContact O-CA 3.5Å; L14-V71 HydrophobicContact CB-CB 4.2Å; L14-V71 HydrophobicContact CD1-CB 4.46Å; L14-V71 HydrophobicContact CD1-CG1 4.4Å; L14-V71 PolarHBondContact N-O 3.29Å; L14-V71 PolarHBondContact O-N 3.47Å; L14-V73 HydrophobicContact CD1-CB 4.41Å; L14-V73 HydrophobicContact CD1-CG1 4.15Å; L14-V73 HydrophobicContact CD2-CG1 4Å; L14-V73 HydrophobicContact CG-CG1 3.95Å; L14-V85 HydrophobicContact CD1-CG1 3.53Å; L14-V85 HydrophobicContact CD2-CG1 3.42Å; L14-V85 VanDerWaalsContact CD2-CG1 3.42Å; L14-V85 HydrophobicContact CG-CG1 4.12Å; L14-F94 HydrophobicContact CD2-CD1 3.26Å; L14-F94 HydrophobicContact CD2-CD2 4.32Å; L14-F94 HydrophobicContact CD2-CE1 3.29Å; L14-F94 HydrophobicContact CD2-CE2 4.32Å; L14-F94 HydrophobicContact CD2-CG 3.82Å; L14-F94 HydrophobicContact CD2-CZ 3.86Å
15	H	92.5	Very high	86.6	Confident	79 Å²	79	65.2 Å²	65.2	37%	0.366	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.2	165.4	-171.9	-110.2	0	0	0	108.9	G69 T92 G93 V95	H15-G69 CarbonylContact C-O 3.57Å; H15-T92 WeakPolarHBondContact CB-OG1 3.49Å; H15-T92 PolarHBondContact ND1-OG1 2.87Å; H15-T92 PolarHBondContact O-N 3.42Å; H15-T92 PolarHBondContact O-OG1 3.3Å; H15-G93 PolarHBondContact N-O 2.85Å; H15-G93 PolarHBondContact O-N 3Å; H15-V95 HydrophobicContact CB-CG2 4.16Å
16	T	91.9	Very high	88.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.7	-173.9	68.1	0	0	0	0	110.1	L14 S18 V24 G69 V71 G90 V91	L14-T16 HydrophobicContact CB-CG2 4.43Å; T16-S18 PolarHBondContact O-N 2.85Å; T16-V24 HydrophobicContact CG2-CB 4.2Å; T16-V24 HydrophobicContact CG2-CG1 3.99Å; T16-V24 HydrophobicContact CG2-CG2 3.88Å; T16-G69 PolarHBondContact N-O 2.83Å; T16-G69 VanDerWaalsContact OG1-C 3.31Å; T16-G69 PolarHBondContact OG1-O 3.41Å; T16-V71 HydrophobicContact CG2-CB 4.39Å; T16-V71 HydrophobicContact CG2-CG2 3.81Å; T16-G90 CarbonylContact C-O 3.45Å; T16-G90 WeakPolarHBondContact CA-O 3.47Å; T16-G90 WeakPolarHBondContact CB-O 3.28Å; T16-V91 HydrophobicContact CG2-CG2 4.47Å
17	Y	90.8	Very high	90.8	Very high	145 Å²	145	64 Å²	64	57%	0.569	32%	0.32	S	S	*	.			trans	-62.9	133.4	167.6	-64.4	-64.4	0	0	0	109.7	G19 Y20 G90 T92	Y17-G19 PolarHBondContact O-N 2.81Å; Y17-Y20 WeakPolarHBondContact O-CB 3.39Å; Y17-Y20 PolarHBondContact O-N 2.96Å; Y17-G90 PolarHBondContact N-O 3.38Å; Y17-T92 HydrophobicContact CD1-CG2 3.94Å; Y17-T92 HydrophobicContact CD2-CG2 4.3Å; Y17-T92 HydrophobicContact CE1-CG2 3.82Å; Y17-T92 HydrophobicContact CE2-CG2 4.18Å; Y17-T92 HydrophobicContact CG-CG2 4.18Å
18	S	85	Confident	92	Very high	90 Å²	90	56.6 Å²	56.6	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.7	176.5	-177.5	0	0	0	0	110.8	T16 Y20	T16-S18 PolarHBondContact O-N 2.85Å; S18-Y20 VanDerWaalsContact C-N 3.34Å
19	G	86.3	Confident	92.5	Very high	51 Å²	51	54.2 Å²	54.2	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-7.7	-176.2	0	0	0	0	0	115.1	Y17 E21	Y17-G19 PolarHBondContact O-N 2.81Å; G19-E21 WeakPolarHBondContact CA-OE2 3.44Å; G19-E21 PolarHBondContact N-OE1 3.42Å; G19-E21 VanDerWaalsContact N-OE1 3.09Å; G19-E21 PolarHBondContact N-OE2 2.9Å
20	Y	91.7	Very high	92.7	Very high	113 Å²	113	51.9 Å²	51.9	44%	0.443	28%	0.276	S	S	.	.			trans	-99	-0.5	177.3	-75.8	-111.2	0	0	0	113.1	Y17 S18 N22 K23 V24	Y17-Y20 WeakPolarHBondContact O-CB 3.39Å; Y17-Y20 PolarHBondContact O-N 2.96Å; S18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-N22 PolarHBondContact O-N 3.35Å; Y20-K23 HydrophobicContact CD1-CD 4.19Å; Y20-K23 HydrophobicContact CE1-CD 4.47Å; Y20-K23 CarbonylContact O-C 3.56Å; Y20-K23 WeakPolarHBondContact O-CA 3.25Å; Y20-K23 WeakPolarHBondContact O-CB 3.48Å; Y20-K23 PolarHBondContact O-N 3.39Å; Y20-V24 WeakPolarHBondContact O-CG2 3.14Å; Y20-V24 PolarHBondContact O-N 3.32Å
21	E	91.1	Very high	92.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-51.1	-171.4	-52.4	84.6	167.8	0	0	111.5	G19 K23 V24 K25 V46 K65 G69 V71	G19-E21 WeakPolarHBondContact CA-OE2 3.44Å; G19-E21 PolarHBondContact N-OE1 3.42Å; G19-E21 VanDerWaalsContact N-OE1 3.09Å; G19-E21 PolarHBondContact N-OE2 2.9Å; E21-K23 VanDerWaalsContact C-N 3.3Å; E21-K23 PolarHBondContact O-N 3.1Å; E21-V24 WeakPolarHBondContact O-CB 3.44Å; E21-V24 PolarHBondContact O-N 2.82Å; E21-V24 VanDerWaalsContact O-N 3.17Å; E21-K25 PolarHBondContact O-N 2.96Å; E21-V46 HydrophobicContact CB-CG1 3.66Å; E21-V46 HydrophobicContact CB-CG2 4.06Å; E21-V46 HydrophobicContact CG-CG1 4.48Å; E21-K65 IonicContact OE1-NZ 3.59Å; E21-K65 PolarHBondContact OE1-NZ 2.84Å; E21-K65 IonicContact OE2-NZ 3.34Å; E21-K65 PolarHBondContact OE2-NZ 2.75Å; E21-G69 WeakPolarHBondContact OE1-CA 3.45Å; E21-G69 PolarHBondContact OE1-N 3.06Å; E21-V71 HydrophobicContact CB-CG2 3.85Å; E21-V71 HydrophobicContact CG-CG2 4.37Å
22	N	91.6	Very high	92.6	Very high	75 Å²	75	53 Å²	53	40%	0.401	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-33.5	177.4	-75.9	-44.9	0	0	0	112.9	Y20 A26 E48	Y20-N22 PolarHBondContact O-N 3.35Å; N22-A26 PolarHBondContact O-N 2.79Å; N22-A26 VanDerWaalsContact O-N 3.12Å; N22-E48 PolarHBondContact ND2-OE2 3.11Å
23	K	93.8	Very high	92.5	Very high	120 Å²	120	59.1 Å²	59.1	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-71.2	-38.2	174.7	-174	171.8	-177.8	174.7	0	111.6	Y20 E21 N27	Y20-K23 HydrophobicContact CD1-CD 4.19Å; Y20-K23 HydrophobicContact CE1-CD 4.47Å; Y20-K23 CarbonylContact O-C 3.56Å; Y20-K23 WeakPolarHBondContact O-CA 3.25Å; Y20-K23 WeakPolarHBondContact O-CB 3.48Å; Y20-K23 PolarHBondContact O-N 3.39Å; E21-K23 VanDerWaalsContact C-N 3.3Å; E21-K23 PolarHBondContact O-N 3.1Å; K23-N27 VanDerWaalsContact O-CB 3.26Å; K23-N27 WeakPolarHBondContact O-CB 3.39Å; K23-N27 PolarHBondContact O-N 2.94Å; K23-N27 PolarHBondContact O-ND2 2.78Å
24	V	95.3	Very high	92.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-45.6	174.6	166.3	0	0	0	0	109.8	T16 Y20 E21 N27 L28 V71 V91	T16-V24 HydrophobicContact CG2-CB 4.2Å; T16-V24 HydrophobicContact CG2-CG1 3.99Å; T16-V24 HydrophobicContact CG2-CG2 3.88Å; Y20-V24 WeakPolarHBondContact O-CG2 3.14Å; Y20-V24 PolarHBondContact O-N 3.32Å; E21-V24 WeakPolarHBondContact O-CB 3.44Å; E21-V24 PolarHBondContact O-N 2.82Å; E21-V24 VanDerWaalsContact O-N 3.17Å; V24-N27 PolarHBondContact O-N 2.96Å; V24-L28 HydrophobicContact CG1-CD1 3.71Å; V24-L28 HydrophobicContact CG1-CG 4.18Å; V24-L28 WeakPolarHBondContact O-CB 3.34Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.46Å; V24-V71 HydrophobicContact CG1-CG2 4.32Å; V24-V91 HydrophobicContact CG1-CG2 3.6Å; V24-V91 HydrophobicContact CG2-CG2 4.12Å
25	K	95.3	Very high	92.3	Very high	65 Å²	65	66.7 Å²	66.7	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-52.8	-58.9	174	173.6	174	176.8	173.3	0	111.9	E21 N27 L28 E29 V44 V46	E21-K25 PolarHBondContact O-N 2.96Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 3.32Å; K25-L28 PolarHBondContact O-N 2.76Å; K25-L28 VanDerWaalsContact O-N 3.1Å; K25-E29 WeakPolarHBondContact CE-OE1 3.21Å; K25-E29 IonicContact NZ-OE1 2.65Å; K25-E29 WeakPolarHBondContact O-CG 3.07Å; K25-E29 PolarHBondContact O-N 2.99Å; K25-V44 HydrophobicContact CB-CG1 3.96Å; K25-V44 WeakPolarHBondContact CD-O 3.32Å; K25-V44 WeakPolarHBondContact CE-O 3.46Å; K25-V44 HydrophobicContact CG-CB 4.11Å; K25-V44 HydrophobicContact CG-CG1 4Å; K25-V44 PolarHBondContact NZ-O 3.45Å; K25-V46 HydrophobicContact CB-CG2 3.9Å; K25-V46 HydrophobicContact CD-CG2 4.1Å
26	A	94.9	Very high	92.3	Very high	53 Å²	53	72.8 Å²	72.8	44%	0.438	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-39	-179.3	0	0	0	0	0	112.7	N22 S30	N22-A26 PolarHBondContact O-N 2.79Å; N22-A26 VanDerWaalsContact O-N 3.12Å; A26-S30 VanDerWaalsContact O-CB 3.28Å; A26-S30 WeakPolarHBondContact O-CB 3.17Å; A26-S30 PolarHBondContact O-N 3.07Å
27	N	94.7	Very high	92.2	Very high	45 Å²	45	73.4 Å²	73.4	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-39.5	176.7	-74.7	-21.3	0	0	0	112.4	K23 V24 K25 R31 T88	K23-N27 VanDerWaalsContact O-CB 3.26Å; K23-N27 WeakPolarHBondContact O-CB 3.39Å; K23-N27 PolarHBondContact O-N 2.94Å; K23-N27 PolarHBondContact O-ND2 2.78Å; V24-N27 PolarHBondContact O-N 2.96Å; K25-N27 VanDerWaalsContact C-N 3.29Å; K25-N27 PolarHBondContact O-N 3.32Å; N27-R31 WeakPolarHBondContact O-CB 3.27Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å; N27-R31 PolarHBondContact O-N 2.84Å; N27-T88 HydrophobicContact CB-CG2 3.66Å
28	L	95.5	Very high	92.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-45.8	178.6	-78.1	173.8	0	0	0	110.9	L14 V24 K25 R31 A32 V44 V85 T88	L14-L28 HydrophobicContact CD1-CD1 3.57Å; V24-L28 HydrophobicContact CG1-CD1 3.71Å; V24-L28 HydrophobicContact CG1-CG 4.18Å; V24-L28 WeakPolarHBondContact O-CB 3.34Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å; V24-L28 PolarHBondContact O-N 3.46Å; K25-L28 PolarHBondContact O-N 2.76Å; K25-L28 VanDerWaalsContact O-N 3.1Å; L28-R31 PolarHBondContact O-N 2.87Å; L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.38Å; L28-V44 HydrophobicContact CB-CG2 3.9Å; L28-V44 HydrophobicContact CD1-CG1 3.91Å; L28-V44 HydrophobicContact CD1-CG2 4.22Å; L28-V85 HydrophobicContact CD2-CB 4.21Å; L28-V85 HydrophobicContact CD2-CG1 4.23Å; L28-V85 HydrophobicContact CD2-CG2 3.98Å; L28-T88 HydrophobicContact CD2-CG2 4.04Å; L28-T88 VanDerWaalsContact CD2-OG1 3.29Å; L28-T88 WeakPolarHBondContact CD2-OG1 3.31Å; L28-T88 HydrophobicContact CG-CG2 4.06Å
29	E	94.1	Very high	92.3	Very high	89 Å²	89	72.4 Å²	72.4	42%	0.416	37%	0.37	S	S	.	.	H	α-helix	trans	-60.2	-48.9	176.5	-69	168.3	161	0	0	110.9	K25 R31 A32 Q33 V44	K25-E29 WeakPolarHBondContact CE-OE1 3.21Å; K25-E29 IonicContact NZ-OE1 2.65Å; K25-E29 WeakPolarHBondContact O-CG 3.07Å; K25-E29 PolarHBondContact O-N 2.99Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 2.87Å; E29-A32 PolarHBondContact O-N 3.4Å; E29-Q33 PolarHBondContact O-N 3.04Å; E29-Q33 VanDerWaalsContact O-N 3.11Å; E29-V44 HydrophobicContact CG-CB 4.47Å; E29-V44 HydrophobicContact CG-CG2 4.37Å
30	S	93.9	Very high	92.6	Very high	73 Å²	73	73.8 Å²	73.8	51%	0.51	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-38.6	177	179.2	0	0	0	0	112.7	A26 S34	A26-S30 VanDerWaalsContact O-CB 3.28Å; A26-S30 WeakPolarHBondContact O-CB 3.17Å; A26-S30 PolarHBondContact O-N 3.07Å; S30-S34 WeakPolarHBondContact O-CB 3.35Å; S30-S34 PolarHBondContact O-N 3.22Å; S30-S34 PolarHBondContact O-OG 2.94Å; S30-S34 VanDerWaalsContact O-OG 3.1Å
31	R	92.6	Very high	92.6	Very high	79 Å²	79	68.9 Å²	68.9	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-69	-42.9	176.8	-82.2	179.4	169.9	-144.3	-2.4	112	N27 L28 E29 Q33 S34 M35 V84 N87 T88	N27-R31 WeakPolarHBondContact O-CB 3.27Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å; N27-R31 PolarHBondContact O-N 2.84Å; L28-R31 PolarHBondContact O-N 2.87Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 2.87Å; R31-Q33 VanDerWaalsContact C-N 3.26Å; R31-Q33 PolarHBondContact O-N 2.81Å; R31-S34 WeakPolarHBondContact CA-OG 3.25Å; R31-S34 PolarHBondContact O-N 3.17Å; R31-S34 PolarHBondContact O-OG 2.92Å; R31-M35 VanDerWaalsContact O-CB 3.22Å; R31-M35 WeakPolarHBondContact O-CB 3.33Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.47Å; R31-M35 PolarHBondContact O-N 2.92Å; R31-V84 HydrophobicContact CB-CG1 4.22Å; R31-N87 PolarHBondContact NH1-O 3.44Å; R31-T88 WeakPolarHBondContact CD-OG1 3.4Å
32	A	92.7	Very high	92.6	Very high	4 Å²	4	72.8 Å²	72.8	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-53	-51.7	176	0	0	0	0	0	109.2	L28 E29 M35 R36 M37 I41	L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.38Å; E29-A32 PolarHBondContact O-N 3.4Å; A32-M35 PolarHBondContact O-N 2.99Å; A32-R36 PolarHBondContact O-N 3.47Å; A32-R36 VanDerWaalsContact O-N 3.09Å; A32-M37 PolarHBondContact O-N 3.02Å; A32-I41 HydrophobicContact CB-CB 4.13Å; A32-I41 HydrophobicContact CB-CD1 4.44Å; A32-I41 HydrophobicContact CB-CG2 4.39Å
33	Q	91.9	Very high	92.6	Very high	137 Å²	137	71.8 Å²	71.8	64%	0.64	35%	0.348	S	S	*	.	H	α-helix	trans	-60.6	-52.7	176.7	-167.4	-179	29.7	0	0	113.9	E29 R31 M35 R36 E38	E29-Q33 PolarHBondContact O-N 3.04Å; E29-Q33 VanDerWaalsContact O-N 3.11Å; R31-Q33 VanDerWaalsContact C-N 3.26Å; R31-Q33 PolarHBondContact O-N 2.81Å; Q33-M35 PolarHBondContact O-N 3.29Å; Q33-R36 PolarHBondContact O-N 2.88Å; Q33-E38 WeakPolarHBondContact CA-OE1 3.32Å
34	S	92.7	Very high	92.7	Very high	88 Å²	88	66.2 Å²	66.2	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-66.5	-25.2	-175.9	66.1	0	0	0	0	113.7	S30 R31	S30-S34 WeakPolarHBondContact O-CB 3.35Å; S30-S34 PolarHBondContact O-N 3.22Å; S30-S34 PolarHBondContact O-OG 2.94Å; S30-S34 VanDerWaalsContact O-OG 3.1Å; R31-S34 WeakPolarHBondContact CA-OG 3.25Å; R31-S34 PolarHBondContact O-N 3.17Å; R31-S34 PolarHBondContact O-OG 2.92Å
35	M	90.9	Very high	92.5	Very high	91 Å²	91	66.3 Å²	66.3	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-100.6	1.6	-178.1	-60.3	-175.8	67.9	0	0	112.9	R31 A32 Q33 M37 V84	R31-M35 VanDerWaalsContact O-CB 3.22Å; R31-M35 WeakPolarHBondContact O-CB 3.33Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.47Å; R31-M35 PolarHBondContact O-N 2.92Å; A32-M35 PolarHBondContact O-N 2.99Å; Q33-M35 PolarHBondContact O-N 3.29Å; M35-M37 HydrophobicContact CB-CG 3.95Å; M35-V84 HydrophobicContact CE-CG2 3.62Å; M35-V84 HydrophobicContact SD-CG1 4.18Å; M35-V84 HydrophobicContact SD-CG2 3.8Å
36	R	90.9	Very high	92.4	Very high	208 Å²	208	63.9 Å²	63.9	79%	0.785	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	46.6	-176	-60.1	-179.8	-66.3	174.3	0.8	112.5	A32 Q33 E38	A32-R36 PolarHBondContact O-N 3.47Å; A32-R36 VanDerWaalsContact O-N 3.09Å; Q33-R36 PolarHBondContact O-N 2.88Å; R36-E38 WeakPolarHBondContact CA-OE2 3.3Å
37	M	90	Very high	92	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.074	30%	0.296	C	S	.	.			trans	-113.1	14.4	-178.7	-62.3	-70.4	-78.6	0	0	112.3	A32 M35 D39 Y40 I41 D80 S81 V84	A32-M37 PolarHBondContact O-N 3.02Å; M35-M37 HydrophobicContact CB-CG 3.95Å; M37-D39 PolarHBondContact O-N 2.81Å; M37-Y40 HydrophobicContact CE-CD2 4Å; M37-Y40 HydrophobicContact CE-CG 4.22Å; M37-Y40 CarbonylContact O-C 3.49Å; M37-Y40 WeakPolarHBondContact O-CA 3.34Å; M37-Y40 PolarHBondContact O-N 2.83Å; M37-Y40 HydrophobicContact SD-CD2 3.74Å; M37-Y40 HydrophobicContact SD-CE2 4.27Å; M37-I41 HydrophobicContact CB-CD1 4.46Å; M37-I41 PolarHBondContact O-N 2.88Å; M37-D80 HydrophobicContact CE-CB 3.72Å; M37-S81 VanDerWaalsContact CE-N 3.25Å; M37-V84 HydrophobicContact CE-CG2 4.25Å; M37-V84 HydrophobicContact CG-CG2 4.3Å
38	E	88.7	Confident	91.3	Very high	88 Å²	88	61.2 Å²	61.2	41%	0.411	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.8	174.9	-60.9	94.7	127.5	0	0	111.7	Q33 R36 Y40	Q33-E38 WeakPolarHBondContact CA-OE1 3.32Å; R36-E38 WeakPolarHBondContact CA-OE2 3.3Å; E38-Y40 PolarHBondContact O-N 2.84Å
39	D	89.4	Confident	89.9	Confident	126 Å²	126	64.5 Å²	64.5	67%	0.674	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-7	175.2	-61.8	-33.7	0	0	0	113.5	M37 F42	M37-D39 PolarHBondContact O-N 2.81Å; D39-F42 WeakPolarHBondContact O-CZ 3.22Å
40	Y	92.2	Very high	88.2	Confident	79 Å²	79	66.8 Å²	66.8	31%	0.31	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-29.8	-179.5	-63.7	-78.6	0	0	0	113.3	M37 E38 M75 V76 T78	M37-Y40 HydrophobicContact CE-CD2 4Å; M37-Y40 HydrophobicContact CE-CG 4.22Å; M37-Y40 CarbonylContact O-C 3.49Å; M37-Y40 WeakPolarHBondContact O-CA 3.34Å; M37-Y40 PolarHBondContact O-N 2.83Å; M37-Y40 HydrophobicContact SD-CD2 3.74Å; M37-Y40 HydrophobicContact SD-CE2 4.27Å; E38-Y40 PolarHBondContact O-N 2.84Å; Y40-M75 CarbonylContact O-C 3.52Å; Y40-M75 WeakPolarHBondContact O-CA 3.48Å; Y40-M75 WeakPolarHBondContact O-CB 3.45Å; Y40-V76 HydrophobicContact CD1-CB 4.16Å; Y40-V76 HydrophobicContact CD1-CG1 4.25Å; Y40-V76 PolarHBondContact O-N 3.43Å; Y40-T78 HydrophobicContact CD1-CG2 3.82Å; Y40-T78 HydrophobicContact CE1-CG2 3.71Å
41	I	92.9	Very high	86.3	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	102.1	-179.7	-58.6	172.5	0	0	0	107	A32 M37 V44 V73 M75 V84 V85	A32-I41 HydrophobicContact CB-CB 4.13Å; A32-I41 HydrophobicContact CB-CD1 4.44Å; A32-I41 HydrophobicContact CB-CG2 4.39Å; M37-I41 HydrophobicContact CB-CD1 4.46Å; M37-I41 PolarHBondContact O-N 2.88Å; I41-V44 HydrophobicContact CG2-CG2 4.21Å; I41-V73 HydrophobicContact CG2-CG2 3.98Å; I41-M75 HydrophobicContact CG1-CB 4.31Å; I41-V84 HydrophobicContact CD1-CB 4.46Å; I41-V84 HydrophobicContact CD1-CG1 4Å; I41-V85 HydrophobicContact CD1-CG2 3.77Å; I41-V85 HydrophobicContact CG1-CG2 4.42Å
42	F	91.4	Very high	84.3	Confident	83 Å²	83	68.8 Å²	68.8	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-39.4	-170.2	-58	-84.3	0	0	0	112.5	K9 D39 E74 V76 Q125	K9-F42 HydrophobicContact CB-CD2 4.15Å; K9-F42 HydrophobicContact CB-CE2 3.98Å; D39-F42 WeakPolarHBondContact O-CZ 3.22Å; F42-E74 HydrophobicContact CB-CB 4.3Å; F42-E74 HydrophobicContact CB-CG 4.14Å; F42-E74 HydrophobicContact CD2-CG 4.37Å; F42-E74 PolarHBondContact N-O 2.79Å; F42-V76 HydrophobicContact CE2-CG2 3.92Å; F42-V76 HydrophobicContact CZ-CG2 4.33Å; F42-Q125 PolarHBondContact O-NE2 3.34Å
43	R	91.8	Very high	82.3	Confident	54 Å²	54	72.2 Å²	72.2	20%	0.204	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.2	-173.3	-159.1	170.5	171.6	-172.3	5.5	112.1	W11 V45 V73 E74 M121 S122	W11-R43 HydrophobicContact CH2-CB 4.03Å; W11-R43 HydrophobicContact CH2-CG 4.08Å; W11-R43 HydrophobicContact CZ2-CB 4.48Å; R43-V45 HydrophobicContact CG-CG2 3.93Å; R43-V73 CarbonylContact O-C 3.51Å; R43-V73 VanDerWaalsContact O-CA 3.29Å; R43-V73 WeakPolarHBondContact O-CA 3.36Å; R43-E74 HydrophobicContact CB-CB 3.77Å; R43-E74 PolarHBondContact N-O 2.81Å; R43-E74 PolarHBondContact O-N 2.75Å; R43-M121 PolarHBondContact NH2-SD 2.86Å; R43-S122 PolarHBondContact NH1-O 2.95Å
44	V	94.4	Very high	80.7	Confident	3 Å²	3	70 Å²	70	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.5	173.8	-169.8	0	0	0	0	109.2	K25 L28 E29 I41 V71 L72 V73	K25-V44 HydrophobicContact CB-CG1 3.96Å; K25-V44 WeakPolarHBondContact CD-O 3.32Å; K25-V44 WeakPolarHBondContact CE-O 3.46Å; K25-V44 HydrophobicContact CG-CB 4.11Å; K25-V44 HydrophobicContact CG-CG1 4Å; K25-V44 PolarHBondContact NZ-O 3.45Å; L28-V44 HydrophobicContact CB-CG2 3.9Å; L28-V44 HydrophobicContact CD1-CG1 3.91Å; L28-V44 HydrophobicContact CD1-CG2 4.22Å; E29-V44 HydrophobicContact CG-CB 4.47Å; E29-V44 HydrophobicContact CG-CG2 4.37Å; I41-V44 HydrophobicContact CG2-CG2 4.21Å; V44-V71 HydrophobicContact CG1-CG1 3.38Å; V44-L72 CarbonylContact C-O 3.52Å; V44-L72 WeakPolarHBondContact CA-O 3.17Å; V44-V73 HydrophobicContact CG2-CG2 4.25Å
45	V	92.7	Very high	78.7	Confident	3 Å²	3	72 Å²	72	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	-175.5	-179.2	0	0	0	0	109.4	W11 R43 L72 L116 L119 M121	W11-V45 HydrophobicContact CH2-CG2 3.82Å; W11-V45 HydrophobicContact CZ3-CB 4.42Å; W11-V45 HydrophobicContact CZ3-CG2 4.03Å; R43-V45 HydrophobicContact CG-CG2 3.93Å; V45-L72 HydrophobicContact CB-CB 4.23Å; V45-L72 PolarHBondContact N-O 2.97Å; V45-L72 PolarHBondContact O-N 3.32Å; V45-L116 HydrophobicContact CG1-CD2 4.21Å; V45-L116 HydrophobicContact CG2-CD2 4.26Å; V45-L119 HydrophobicContact CG1-CD1 3.9Å; V45-M121 HydrophobicContact CG1-CE 4.24Å; V45-M121 HydrophobicContact CG1-SD 3.73Å; V45-M121 HydrophobicContact CG2-SD 4.15Å
46	V	91.5	Very high	77.4	Confident	13 Å²	13	71.8 Å²	71.8	8%	0.079	36%	0.357	C	S	.	.			trans	-92.2	118.7	167.2	-179.6	0	0	0	0	106.8	E21 K25 E48 V71	E21-V46 HydrophobicContact CB-CG1 3.66Å; E21-V46 HydrophobicContact CB-CG2 4.06Å; E21-V46 HydrophobicContact CG-CG1 4.48Å; K25-V46 HydrophobicContact CB-CG2 3.9Å; K25-V46 HydrophobicContact CD-CG2 4.1Å; V46-E48 VanDerWaalsContact C-N 3.25Å; V46-E48 HydrophobicContact CB-CG 4.48Å; V46-E48 HydrophobicContact CG1-CB 4.21Å; V46-E48 HydrophobicContact CG1-CG 4.09Å; V46-E48 PolarHBondContact O-N 2.95Å; V46-V71 HydrophobicContact CG2-CG2 4.29Å
47	P	87.2	Confident	76.5	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.026	35%	0.353	C	S	.	.			trans	-77.1	78.8	178.8	33.2	-35.7	0	0	0	110.5	F67 Y70 L119	P47-F67 HydrophobicContact CB-CD2 4.08Å; P47-F67 HydrophobicContact CG-CB 4Å; P47-F67 HydrophobicContact CG-CD2 4.29Å; P47-Y70 VanDerWaalsContact CD-O 3.3Å; P47-Y70 WeakPolarHBondContact CD-O 3.41Å; P47-L119 HydrophobicContact CB-CD1 3.96Å; P47-L119 HydrophobicContact CB-CD2 4.43Å
48	E	80.9	Confident	75.4	Confident	38 Å²	38	72.5 Å²	72.5	18%	0.178	38%	0.384	C	S	.	.			trans	-123.4	132.1	177.1	67.1	-179.8	-154.4	0	0	110.7	N22 V46 V63	N22-E48 PolarHBondContact ND2-OE2 3.11Å; V46-E48 VanDerWaalsContact C-N 3.25Å; V46-E48 HydrophobicContact CB-CG 4.48Å; V46-E48 HydrophobicContact CG1-CB 4.21Å; V46-E48 HydrophobicContact CG1-CG 4.09Å; V46-E48 PolarHBondContact O-N 2.95Å; E48-V63 HydrophobicContact CB-CG1 3.52Å; E48-V63 HydrophobicContact CG-CG1 3.77Å
49	E	66.2	Low	74.4	Confident	69 Å²	69	75.8 Å²	75.8	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.6	172.8	-75.1	168.4	-146	0	0	108.6	E51 V63 H64 T66	E49-E51 PolarHBondContact O-N 3.38Å; E49-V63 CarbonylContact O-C 3.56Å; E49-V63 WeakPolarHBondContact O-CA 3.28Å; E49-H64 PolarHBondContact N-O 3.44Å; E49-H64 PolarHBondContact O-N 2.89Å; E49-T66 VanDerWaalsContact CD-OG1 3.26Å; E49-T66 WeakPolarHBondContact CG-OG1 3.25Å; E49-T66 PolarHBondContact OE1-OG1 3.26Å
50	K	58.2	Low	73.1	Confident	138 Å²	138	76.2 Å²	76.2	60%	0.6	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.7	170.4	-64.2	-176.1	179.3	-177.6	0	108.2	V63	K50-V63 HydrophobicContact CG-CG2 4.39Å
51	E	54.1	Low	71.6	Confident	112 Å²	112	78.4 Å²	78.4	52%	0.523	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	166.7	-71.5	-168.8	157.4	0	0	109.7	E49 E53 E61 I62	E49-E51 PolarHBondContact O-N 3.38Å; E51-E53 PolarHBondContact O-N 3.12Å; E51-E61 CarbonylContact O-C 3.4Å; E51-E61 WeakPolarHBondContact O-CA 3.35Å; E51-I62 WeakPolarHBondContact CA-O 3.47Å; E51-I62 PolarHBondContact N-O 2.76Å; E51-I62 CarbonylContact O-C 3.58Å; E51-I62 PolarHBondContact O-N 3.39Å
52	T	50.4	Low	70	Confident	81 Å²	81	80.7 Å²	80.7	50%	0.497	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	99.2	171.1	-46.2	0	0	0	0	108.6	E59	T52-E59 HydrophobicContact CG2-CB 3.78Å; T52-E59 HydrophobicContact CG2-CG 4.03Å
53	E	49.9	Very low	68.5	Low	76 Å²	76	79.5 Å²	79.5	36%	0.355	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.9	174.4	-158.6	-172.8	-176.5	0	0	109.8	E51 K55 K60 I62	E51-E53 PolarHBondContact O-N 3.12Å; E53-K55 VanDerWaalsContact CD-CE 3.43Å; E53-K55 VanDerWaalsContact CD-NZ 3.25Å; E53-K55 HydrophobicContact CG-CG 4.28Å; E53-K55 PolarHBondContact O-N 3.47Å; E53-K55 VanDerWaalsContact O-N 3.17Å; E53-K55 WeakPolarHBondContact OE1-CE 3.35Å; E53-K55 IonicContact OE1-NZ 2.78Å; E53-K55 PolarHBondContact OE1-NZ 3.3Å; E53-K55 WeakPolarHBondContact OE2-CD 3.26Å; E53-K55 WeakPolarHBondContact OE2-CE 3.38Å; E53-K55 IonicContact OE2-NZ 3.59Å; E53-K55 PolarHBondContact OE2-NZ 3.17Å; E53-K60 PolarHBondContact N-O 2.85Å; E53-K60 PolarHBondContact O-N 3.04Å; E53-I62 HydrophobicContact CB-CD1 3.88Å; E53-I62 HydrophobicContact CB-CG1 4.24Å; E53-I62 WeakPolarHBondContact OE2-CD1 3.44Å
54	V	57.9	Low	67	Low	91 Å²	91	82.2 Å²	82.2	55%	0.552	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	93.5	172	-176.2	0	0	0	0	108.9	E59	V54-E59 HydrophobicContact CG2-CG 3.96Å
55	K	52	Low	65.3	Low	131 Å²	131	85.2 Å²	85.2	57%	0.57	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.6	172.4	-88.3	179.7	168.4	141.3	0	110.5	E53 K58	E53-K55 VanDerWaalsContact CD-CE 3.43Å; E53-K55 VanDerWaalsContact CD-NZ 3.25Å; E53-K55 HydrophobicContact CG-CG 4.28Å; E53-K55 PolarHBondContact O-N 3.47Å; E53-K55 VanDerWaalsContact O-N 3.17Å; E53-K55 WeakPolarHBondContact OE1-CE 3.35Å; E53-K55 IonicContact OE1-NZ 2.78Å; E53-K55 PolarHBondContact OE1-NZ 3.3Å; E53-K55 WeakPolarHBondContact OE2-CD 3.26Å; E53-K55 WeakPolarHBondContact OE2-CE 3.38Å; E53-K55 IonicContact OE2-NZ 3.59Å; E53-K55 PolarHBondContact OE2-NZ 3.17Å; K55-K58 PolarHBondContact N-O 2.89Å
56	G	63.2	Low	64	Low	86 Å²	86	87.5 Å²	87.5	89%	0.887	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	27.7	176.4	0	0	0	0	0	114.9	K58	G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 3.47Å
57	G	71.2	Confident	63.4	Low	68 Å²	68	91.5 Å²	91.5	70%	0.701	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	0.9	-178.9	0	0	0	0	0	114.9
58	K	66.6	Low	63.1	Low	169 Å²	169	94.7 Å²	94.7	74%	0.735	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.7	168	-66.1	-176	179.6	-176.5	0	108.6	K55 G56 K60	K55-K58 PolarHBondContact N-O 2.89Å; G56-K58 VanDerWaalsContact C-N 3.29Å; G56-K58 PolarHBondContact O-N 3.47Å; K58-K60 PolarHBondContact O-N 2.7Å
59	E	67.3	Low	63.6	Low	157 Å²	157	93 Å²	93	73%	0.734	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	120.9	165.8	-73.6	173.5	-174.1	0	0	108.2	T52 V54	T52-E59 HydrophobicContact CG2-CB 3.78Å; T52-E59 HydrophobicContact CG2-CG 4.03Å; V54-E59 HydrophobicContact CG2-CG 3.96Å
60	K	63.8	Low	64.8	Low	135 Å²	135	93.9 Å²	93.9	59%	0.587	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.9	172.3	-170.5	179.3	-177.9	-176.5	0	107.5	E53 K58 I62	E53-K60 PolarHBondContact N-O 2.85Å; E53-K60 PolarHBondContact O-N 3.04Å; K58-K60 PolarHBondContact O-N 2.7Å; K60-I62 HydrophobicContact CD-CG1 4.5Å; K60-I62 HydrophobicContact CG-CG1 4.39Å; K60-I62 PolarHBondContact O-N 2.66Å
61	E	60.1	Low	66.5	Low	125 Å²	125	87.3 Å²	87.3	58%	0.584	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	107.9	167.2	-64.3	-177.2	123.3	0	0	108.4	E51	E51-E61 CarbonylContact O-C 3.4Å; E51-E61 WeakPolarHBondContact O-CA 3.35Å
62	I	60.1	Low	68.4	Low	58 Å²	58	82.2 Å²	82.2	30%	0.297	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.9	167.4	-60.2	-174.2	0	0	0	106.9	E51 E53 K60 H64	E51-I62 WeakPolarHBondContact CA-O 3.47Å; E51-I62 PolarHBondContact N-O 2.76Å; E51-I62 CarbonylContact O-C 3.58Å; E51-I62 PolarHBondContact O-N 3.39Å; E53-I62 HydrophobicContact CB-CD1 3.88Å; E53-I62 HydrophobicContact CB-CG1 4.24Å; E53-I62 WeakPolarHBondContact OE2-CD1 3.44Å; K60-I62 HydrophobicContact CD-CG1 4.5Å; K60-I62 HydrophobicContact CG-CG1 4.39Å; K60-I62 PolarHBondContact O-N 2.66Å; I62-H64 PolarHBondContact O-N 3.04Å
63	V	58.6	Low	70.6	Confident	59 Å²	59	78.3 Å²	78.3	36%	0.358	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.4	176.7	-177.8	0	0	0	0	108.8	E48 E49 K50	E48-V63 HydrophobicContact CB-CG1 3.52Å; E48-V63 HydrophobicContact CG-CG1 3.77Å; E49-V63 CarbonylContact O-C 3.56Å; E49-V63 WeakPolarHBondContact O-CA 3.28Å; K50-V63 HydrophobicContact CG-CG2 4.39Å
64	H	60.5	Low	72.7	Confident	111 Å²	111	75 Å²	75	51%	0.514	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.5	168.6	-163.5	79.7	0	0	0	109.4	E49 I62 T66	E49-H64 PolarHBondContact N-O 3.44Å; E49-H64 PolarHBondContact O-N 2.89Å; I62-H64 PolarHBondContact O-N 3.04Å; H64-T66 PolarHBondContact O-N 2.95Å
65	K	59.3	Low	74.4	Confident	66 Å²	66	70.6 Å²	70.6	29%	0.287	37%	0.374	S	S	.	.			trans	-86.2	98.7	178.5	-63.2	-175.1	179.9	-172.7	0	109	E21 F67 P68	E21-K65 IonicContact OE1-NZ 3.59Å; E21-K65 PolarHBondContact OE1-NZ 2.84Å; E21-K65 IonicContact OE2-NZ 3.34Å; E21-K65 PolarHBondContact OE2-NZ 2.75Å; K65-F67 PolarHBondContact O-N 3.28Å; K65-P68 HydrophobicContact CB-CB 4.15Å; K65-P68 HydrophobicContact CD-CB 4.29Å; K65-P68 WeakPolarHBondContact O-CD 3.23Å
66	T	65.1	Low	76.4	Confident	50 Å²	50	64.9 Å²	64.9	31%	0.307	35%	0.35	S	S	.	.	S	Bend	trans	-59.6	-30.3	177.2	-41	0	0	0	0	111.1	E49 H64	E49-T66 VanDerWaalsContact CD-OG1 3.26Å; E49-T66 WeakPolarHBondContact CG-OG1 3.25Å; E49-T66 PolarHBondContact OE1-OG1 3.26Å; H64-T66 PolarHBondContact O-N 2.95Å
67	F	78.3	Confident	77.7	Confident	97 Å²	97	61.3 Å²	61.3	43%	0.425	31%	0.311	S	S	.	.	S	Bend	trans	-137.8	84	173.3	-58.3	-83.2	0	0	0	111.8	P47 K65 G69 Y70	P47-F67 HydrophobicContact CB-CD2 4.08Å; P47-F67 HydrophobicContact CG-CB 4Å; P47-F67 HydrophobicContact CG-CD2 4.29Å; K65-F67 PolarHBondContact O-N 3.28Å; F67-G69 PolarHBondContact O-N 3.2Å; F67-Y70 HydrophobicContact CB-CD2 3.91Å; F67-Y70 HydrophobicContact CB-CG 4.29Å; F67-Y70 PolarHBondContact O-N 2.69Å
68	P	82.3	Confident	78.6	Confident	71 Å²	71	58.7 Å²	58.7	46%	0.461	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	138.6	-178.2	28.2	-34	0	0	0	111.3	K65 Y70	K65-P68 HydrophobicContact CB-CB 4.15Å; K65-P68 HydrophobicContact CD-CB 4.29Å; K65-P68 WeakPolarHBondContact O-CD 3.23Å; P68-Y70 VanDerWaalsContact C-N 3.3Å; P68-Y70 VanDerWaalsContact O-CD2 3.24Å; P68-Y70 WeakPolarHBondContact O-CD2 2.94Å
69	G	89.8	Confident	79.7	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	0.5	-177.2	0	0	0	0	0	114.9	H15 T16 E21 F67	H15-G69 CarbonylContact C-O 3.57Å; T16-G69 PolarHBondContact N-O 2.83Å; T16-G69 VanDerWaalsContact OG1-C 3.31Å; T16-G69 PolarHBondContact OG1-O 3.41Å; E21-G69 WeakPolarHBondContact OE1-CA 3.45Å; E21-G69 PolarHBondContact OE1-N 3.06Å; F67-G69 PolarHBondContact O-N 3.2Å
70	Y	92	Very high	80.8	Confident	88 Å²	88	53.6 Å²	53.6	35%	0.345	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.9	-179.8	-65.6	-87	0	0	0	112.3	V13 L14 P47 F67 P68 V95	V13-Y70 HydrophobicContact CG1-CD1 3.58Å; V13-Y70 HydrophobicContact CG1-CE1 4.37Å; V13-Y70 HydrophobicContact CG1-CG 4.44Å; L14-Y70 WeakPolarHBondContact O-CA 3.5Å; P47-Y70 VanDerWaalsContact CD-O 3.3Å; P47-Y70 WeakPolarHBondContact CD-O 3.41Å; F67-Y70 HydrophobicContact CB-CD2 3.91Å; F67-Y70 HydrophobicContact CB-CG 4.29Å; F67-Y70 PolarHBondContact O-N 2.69Å; P68-Y70 VanDerWaalsContact C-N 3.3Å; P68-Y70 VanDerWaalsContact O-CD2 3.24Å; P68-Y70 WeakPolarHBondContact O-CD2 2.94Å; Y70-V95 HydrophobicContact CD1-CG2 4.1Å; Y70-V95 HydrophobicContact CE1-CG2 3.82Å
71	V	94.3	Very high	82.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.5	172.7	177.5	0	0	0	0	108.1	L14 T16 E21 V24 V44 V46	L14-V71 HydrophobicContact CB-CB 4.2Å; L14-V71 HydrophobicContact CD1-CB 4.46Å; L14-V71 HydrophobicContact CD1-CG1 4.4Å; L14-V71 PolarHBondContact N-O 3.29Å; L14-V71 PolarHBondContact O-N 3.47Å; T16-V71 HydrophobicContact CG2-CB 4.39Å; T16-V71 HydrophobicContact CG2-CG2 3.81Å; E21-V71 HydrophobicContact CB-CG2 3.85Å; E21-V71 HydrophobicContact CG-CG2 4.37Å; V24-V71 HydrophobicContact CG1-CG2 4.32Å; V44-V71 HydrophobicContact CG1-CG1 3.38Å; V46-V71 HydrophobicContact CG2-CG2 4.29Å
72	L	94.7	Very high	83.6	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.9	175.1	-52.4	173.6	0	0	0	109	W11 Y12 V13 V44 V45 L107 I112 I115 L116	W11-L72 HydrophobicContact CE3-CB 3.89Å; W11-L72 HydrophobicContact CZ3-CB 3.8Å; Y12-L72 WeakPolarHBondContact O-CA 3.48Å; V13-L72 HydrophobicContact CG1-CD2 4.45Å; V13-L72 HydrophobicContact CG2-CD2 3.83Å; V44-L72 CarbonylContact C-O 3.52Å; V44-L72 WeakPolarHBondContact CA-O 3.17Å; V45-L72 HydrophobicContact CB-CB 4.23Å; V45-L72 PolarHBondContact N-O 2.97Å; V45-L72 PolarHBondContact O-N 3.32Å; L72-L107 HydrophobicContact CD2-CD1 4.03Å; L72-I112 HydrophobicContact CD1-CD1 4.06Å; L72-I115 HydrophobicContact CD1-CG2 3.67Å; L72-L116 HydrophobicContact CD1-CD2 4.38Å
73	V	95.3	Very high	85	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.1	176.2	61.1	0	0	0	0	110.6	W11 Y12 L14 I41 R43 V44 M75 F94	W11-V73 CarbonylContact C-O 3.04Å; W11-V73 WeakPolarHBondContact CA-O 3.09Å; Y12-V73 PolarHBondContact N-O 3.35Å; Y12-V73 PolarHBondContact O-N 2.82Å; L14-V73 HydrophobicContact CD1-CB 4.41Å; L14-V73 HydrophobicContact CD1-CG1 4.15Å; L14-V73 HydrophobicContact CD2-CG1 4Å; L14-V73 HydrophobicContact CG-CG1 3.95Å; I41-V73 HydrophobicContact CG2-CG2 3.98Å; R43-V73 CarbonylContact O-C 3.51Å; R43-V73 VanDerWaalsContact O-CA 3.29Å; R43-V73 WeakPolarHBondContact O-CA 3.36Å; V44-V73 HydrophobicContact CG2-CG2 4.25Å; V73-M75 HydrophobicContact CG1-CG 4.18Å; V73-M75 HydrophobicContact CG1-SD 3.78Å; V73-M75 HydrophobicContact CG2-CB 4.15Å; V73-M75 HydrophobicContact CG2-CG 4.06Å; V73-M75 HydrophobicContact CG2-SD 4.01Å; V73-F94 HydrophobicContact CG1-CE1 4.35Å
74	E	94.6	Very high	86.6	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.5	167.9	-171.1	177.3	-153.4	0	0	108.2	K9 Q10 W11 F42 R43 Q125	K9-E74 HydrophobicContact CB-CG 4.41Å; K9-E74 IonicContact NZ-OE1 2.92Å; Q10-E74 WeakPolarHBondContact O-CA 3.39Å; W11-E74 HydrophobicContact CD2-CB 3.84Å; W11-E74 HydrophobicContact CD2-CG 4.33Å; W11-E74 HydrophobicContact CE3-CB 4.05Å; W11-E74 HydrophobicContact CH2-CB 3.95Å; W11-E74 HydrophobicContact CZ2-CB 3.68Å; W11-E74 HydrophobicContact CZ2-CG 4.14Å; W11-E74 HydrophobicContact CZ3-CB 4.11Å; F42-E74 HydrophobicContact CB-CB 4.3Å; F42-E74 HydrophobicContact CB-CG 4.14Å; F42-E74 HydrophobicContact CD2-CG 4.37Å; F42-E74 PolarHBondContact N-O 2.79Å; R43-E74 HydrophobicContact CB-CB 3.77Å; R43-E74 PolarHBondContact N-O 2.81Å; R43-E74 PolarHBondContact O-N 2.75Å; E74-Q125 PolarHBondContact OE2-NE2 3.27Å
75	M	93.9	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.3	-176.9	58.3	178.9	-63.4	0	0	113	Q10 Y12 Y40 I41 V73 M77 S81 V85 F94	Q10-M75 PolarHBondContact N-O 3.35Å; Q10-M75 PolarHBondContact O-N 3.08Å; Q10-M75 VanDerWaalsContact O-O 3.08Å; Y12-M75 HydrophobicContact CD2-CG 3.46Å; Y12-M75 VanDerWaalsContact CD2-CG 3.46Å; Y12-M75 HydrophobicContact CD2-SD 4.17Å; Y12-M75 HydrophobicContact CE2-CG 3.84Å; Y40-M75 CarbonylContact O-C 3.52Å; Y40-M75 WeakPolarHBondContact O-CA 3.48Å; Y40-M75 WeakPolarHBondContact O-CB 3.45Å; I41-M75 HydrophobicContact CG1-CB 4.31Å; V73-M75 HydrophobicContact CG1-CG 4.18Å; V73-M75 HydrophobicContact CG1-SD 3.78Å; V73-M75 HydrophobicContact CG2-CB 4.15Å; V73-M75 HydrophobicContact CG2-CG 4.06Å; V73-M75 HydrophobicContact CG2-SD 4.01Å; M75-M77 HydrophobicContact CE-CE 4.01Å; M75-M77 HydrophobicContact CE-SD 4.49Å; M75-M77 HydrophobicContact SD-CE 4.1Å; M75-S81 VanDerWaalsContact CE-CB 3.44Å; M75-S81 WeakPolarHBondContact CE-OG 3.42Å; M75-V85 HydrophobicContact CE-CG2 4.08Å; M75-V85 HydrophobicContact SD-CG2 3.91Å; M75-F94 HydrophobicContact CE-CZ 4.46Å; M75-F94 HydrophobicContact SD-CE1 3.94Å; M75-F94 HydrophobicContact SD-CZ 4.03Å
76	V	93.1	Very high	89.7	Confident	10 Å²	10	41.4 Å²	41.4	6%	0.061	20%	0.197	C	C	.	.			trans	-85.8	126.5	162.3	171.7	0	0	0	0	108.2	F7 Y40 F42 T78 S81	F7-V76 WeakPolarHBondContact O-CG2 3.34Å; Y40-V76 HydrophobicContact CD1-CB 4.16Å; Y40-V76 HydrophobicContact CD1-CG1 4.25Å; Y40-V76 PolarHBondContact O-N 3.43Å; F42-V76 HydrophobicContact CE2-CG2 3.92Å; F42-V76 HydrophobicContact CZ-CG2 4.33Å; V76-T78 HydrophobicContact CG1-CG2 4Å; V76-T78 PolarHBondContact O-N 3.47Å; V76-T78 VanDerWaalsContact O-N 3.14Å; V76-S81 WeakPolarHBondContact O-CB 3.47Å; V76-S81 PolarHBondContact O-OG 2.88Å
77	M	90.7	Very high	91	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.059	20%	0.201	C	C	.	.			trans	-84.1	88.1	-174.5	-176.2	61.3	54.9	0	0	112.7	Y12 M75 W82 F94 K103 P104	Y12-M77 HydrophobicContact CD1-CE 3.74Å; Y12-M77 HydrophobicContact CD2-CE 3.77Å; Y12-M77 HydrophobicContact CE1-CE 3.63Å; Y12-M77 HydrophobicContact CE2-CB 4.1Å; Y12-M77 HydrophobicContact CE2-CE 3.63Å; Y12-M77 HydrophobicContact CG-CE 3.81Å; Y12-M77 VanDerWaalsContact OH-CB 3.28Å; Y12-M77 WeakPolarHBondContact OH-CB 3.32Å; M75-M77 HydrophobicContact CE-CE 4.01Å; M75-M77 HydrophobicContact CE-SD 4.49Å; M75-M77 HydrophobicContact SD-CE 4.1Å; M77-W82 HydrophobicContact SD-CB 3.91Å; M77-W82 HydrophobicContact SD-CG 4.31Å; M77-F94 HydrophobicContact CE-CE1 4.02Å; M77-F94 HydrophobicContact CE-CZ 4.25Å; M77-K103 HydrophobicContact CG-CB 4.36Å; M77-K103 HydrophobicContact CG-CD 4.03Å; M77-K103 HydrophobicContact CG-CG 4.42Å; M77-K103 PolarHBondContact O-NZ 3.37Å; M77-P104 HydrophobicContact CE-CG 3.35Å; M77-P104 HydrophobicContact SD-CG 4.03Å
78	T	89.7	Confident	91.7	Very high	12 Å²	12	38.1 Å²	38.1	7%	0.074	18%	0.182	C	C	.	.			trans	-106	166.2	170.8	65.8	0	0	0	0	110.1	Y40 V76 D80 S81 W82	Y40-T78 HydrophobicContact CD1-CG2 3.82Å; Y40-T78 HydrophobicContact CE1-CG2 3.71Å; V76-T78 HydrophobicContact CG1-CG2 4Å; V76-T78 PolarHBondContact O-N 3.47Å; V76-T78 VanDerWaalsContact O-N 3.14Å; T78-D80 PolarHBondContact O-N 3.12Å; T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.8Å; T78-S81 PolarHBondContact O-OG 3.5Å; T78-S81 WeakPolarHBondContact OG1-CB 3.46Å; T78-S81 PolarHBondContact OG1-N 2.95Å; T78-S81 PolarHBondContact OG1-OG 3.07Å; T78-S81 VanDerWaalsContact OG1-OG 3.12Å; T78-W82 WeakPolarHBondContact O-CB 3.26Å; T78-W82 PolarHBondContact O-N 2.86Å
79	D	89.6	Confident	92.2	Very high	106 Å²	106	38 Å²	38	57%	0.567	18%	0.181	S	C	*	.	H	α-helix	trans	-63.9	-34.4	176.1	-67.4	-14.1	0	0	0	111.4	Y83 K103	D79-Y83 VanDerWaalsContact O-CB 3.28Å; D79-Y83 WeakPolarHBondContact O-CB 3.1Å; D79-Y83 PolarHBondContact O-N 3.43Å; D79-K103 WeakPolarHBondContact OD1-CE 3.04Å; D79-K103 IonicContact OD1-NZ 3.56Å; D79-K103 PolarHBondContact OD1-NZ 2.88Å
80	D	90.4	Very high	92.4	Very high	113 Å²	113	38.5 Å²	38.5	60%	0.604	19%	0.186	S	C	*	.	H	α-helix	trans	-68.9	-49.5	176.4	-68.9	-22.2	0	0	0	111.8	M37 T78 W82 Y83 V84	M37-D80 HydrophobicContact CE-CB 3.72Å; T78-D80 PolarHBondContact O-N 3.12Å; D80-W82 VanDerWaalsContact C-N 3.33Å; D80-W82 PolarHBondContact O-N 2.85Å; D80-Y83 PolarHBondContact O-N 2.77Å; D80-Y83 VanDerWaalsContact O-N 3.15Å; D80-V84 WeakPolarHBondContact O-CG2 3.42Å; D80-V84 PolarHBondContact O-N 3.04Å
81	S	91.5	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-38.4	-179.3	72.5	0	0	0	0	111.1	M37 M75 V76 T78 Y83 V84 V85	M37-S81 VanDerWaalsContact CE-N 3.25Å; M75-S81 VanDerWaalsContact CE-CB 3.44Å; M75-S81 WeakPolarHBondContact CE-OG 3.42Å; V76-S81 WeakPolarHBondContact O-CB 3.47Å; V76-S81 PolarHBondContact O-OG 2.88Å; T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.8Å; T78-S81 PolarHBondContact O-OG 3.5Å; T78-S81 WeakPolarHBondContact OG1-CB 3.46Å; T78-S81 PolarHBondContact OG1-N 2.95Å; T78-S81 PolarHBondContact OG1-OG 3.07Å; T78-S81 VanDerWaalsContact OG1-OG 3.12Å; S81-Y83 PolarHBondContact O-N 3.37Å; S81-V84 PolarHBondContact O-N 3.35Å; S81-V85 VanDerWaalsContact O-CG2 3.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.14Å; S81-V85 PolarHBondContact O-N 3.04Å; S81-V85 VanDerWaalsContact O-N 3.1Å
82	W	91.1	Very high	92.4	Very high	68 Å²	68	36.8 Å²	36.8	26%	0.258	19%	0.185	S	C	.	.	H	α-helix	trans	-58.1	-46.3	170.3	179.1	87.2	0	0	0	111.7	M77 T78 D80 V85 R86 F94	M77-W82 HydrophobicContact SD-CB 3.91Å; M77-W82 HydrophobicContact SD-CG 4.31Å; T78-W82 WeakPolarHBondContact O-CB 3.26Å; T78-W82 PolarHBondContact O-N 2.86Å; D80-W82 VanDerWaalsContact C-N 3.33Å; D80-W82 PolarHBondContact O-N 2.85Å; W82-V85 PolarHBondContact O-N 3.29Å; W82-R86 HydrophobicContact CH2-CG 4.2Å; W82-R86 HydrophobicContact CZ2-CB 4.45Å; W82-R86 HydrophobicContact CZ2-CG 4.1Å; W82-R86 WeakPolarHBondContact O-CB 3.4Å; W82-R86 PolarHBondContact O-N 2.83Å; W82-F94 AromaticContact CD1-CD2 3.8Å; W82-F94 AromaticContact CD1-CE2 3.45Å; W82-F94 VanDerWaalsContact CD1-CE2 3.45Å; W82-F94 HydrophobicContact CG-CE2 4.16Å; W82-F94 AromaticContact NE1-CD2 3.72Å; W82-F94 AromaticContact NE1-CE2 3.78Å
83	Y	90.7	Very high	92.2	Very high	138 Å²	138	37.1 Å²	37.1	54%	0.541	19%	0.189	S	C	.	.	H	α-helix	trans	-63.7	-45.1	-179.6	-178.5	-88.4	0	0	0	112	D79 D80 S81 V85 R86 N87	D79-Y83 VanDerWaalsContact O-CB 3.28Å; D79-Y83 WeakPolarHBondContact O-CB 3.1Å; D79-Y83 PolarHBondContact O-N 3.43Å; D80-Y83 PolarHBondContact O-N 2.77Å; D80-Y83 VanDerWaalsContact O-N 3.15Å; S81-Y83 PolarHBondContact O-N 3.37Å; Y83-V85 VanDerWaalsContact C-N 3.35Å; Y83-V85 PolarHBondContact O-N 3.28Å; Y83-R86 PolarHBondContact O-N 3.3Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.35Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.49Å; Y83-N87 WeakPolarHBondContact CE2-ND2 2.92Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.26Å; Y83-N87 WeakPolarHBondContact O-CB 3.38Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact O-ND2 3.25Å
84	V	92.2	Very high	92	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-48.7	178.2	170.7	0	0	0	0	110.8	R31 M35 M37 I41 D80 S81 T88	R31-V84 HydrophobicContact CB-CG1 4.22Å; M35-V84 HydrophobicContact CE-CG2 3.62Å; M35-V84 HydrophobicContact SD-CG1 4.18Å; M35-V84 HydrophobicContact SD-CG2 3.8Å; M37-V84 HydrophobicContact CE-CG2 4.25Å; M37-V84 HydrophobicContact CG-CG2 4.3Å; I41-V84 HydrophobicContact CD1-CB 4.46Å; I41-V84 HydrophobicContact CD1-CG1 4Å; D80-V84 WeakPolarHBondContact O-CG2 3.42Å; D80-V84 PolarHBondContact O-N 3.04Å; S81-V84 PolarHBondContact O-N 3.35Å; V84-T88 PolarHBondContact O-N 2.81Å; V84-T88 PolarHBondContact O-OG1 3.23Å
85	V	93.3	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-47.4	-178.7	175.7	0	0	0	0	110.9	L14 L28 I41 M75 S81 W82 Y83 N87 T88 F94	L14-V85 HydrophobicContact CD1-CG1 3.53Å; L14-V85 HydrophobicContact CD2-CG1 3.42Å; L14-V85 VanDerWaalsContact CD2-CG1 3.42Å; L14-V85 HydrophobicContact CG-CG1 4.12Å; L28-V85 HydrophobicContact CD2-CB 4.21Å; L28-V85 HydrophobicContact CD2-CG1 4.23Å; L28-V85 HydrophobicContact CD2-CG2 3.98Å; I41-V85 HydrophobicContact CD1-CG2 3.77Å; I41-V85 HydrophobicContact CG1-CG2 4.42Å; M75-V85 HydrophobicContact CE-CG2 4.08Å; M75-V85 HydrophobicContact SD-CG2 3.91Å; S81-V85 VanDerWaalsContact O-CG2 3.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.14Å; S81-V85 PolarHBondContact O-N 3.04Å; S81-V85 VanDerWaalsContact O-N 3.1Å; W82-V85 PolarHBondContact O-N 3.29Å; Y83-V85 VanDerWaalsContact C-N 3.35Å; Y83-V85 PolarHBondContact O-N 3.28Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 3.09Å; V85-T88 WeakPolarHBondContact O-CB 3.02Å; V85-T88 PolarHBondContact O-N 3.32Å; V85-F94 HydrophobicContact CB-CE2 4.05Å; V85-F94 HydrophobicContact CB-CZ 3.61Å; V85-F94 HydrophobicContact CG1-CE1 3.95Å; V85-F94 HydrophobicContact CG1-CE2 3.83Å; V85-F94 HydrophobicContact CG1-CZ 3.35Å; V85-F94 HydrophobicContact CG2-CZ 4.3Å
86	R	91.4	Very high	91	Very high	88 Å²	88	42.2 Å²	42.2	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-34.5	-176.6	-176.8	64.8	-171.4	104.1	-9	113.3	W82 Y83 T88 V91 T92 F94	W82-R86 HydrophobicContact CH2-CG 4.2Å; W82-R86 HydrophobicContact CZ2-CB 4.45Å; W82-R86 HydrophobicContact CZ2-CG 4.1Å; W82-R86 WeakPolarHBondContact O-CB 3.4Å; W82-R86 PolarHBondContact O-N 2.83Å; Y83-R86 PolarHBondContact O-N 3.3Å; R86-T88 VanDerWaalsContact C-N 3.35Å; R86-V91 PolarHBondContact NH1-O 2.78Å; R86-T92 PolarHBondContact NH1-O 2.9Å; R86-T92 PolarHBondContact NH2-O 3.28Å; R86-F94 HydrophobicContact CB-CE2 4.42Å
87	N	91.4	Very high	90	Very high	74 Å²	74	43.5 Å²	43.5	40%	0.396	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	12.5	-179.2	-67.2	-68.6	0	0	0	113.5	R31 Y83 V85	R31-N87 PolarHBondContact NH1-O 3.44Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.35Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.49Å; Y83-N87 WeakPolarHBondContact CE2-ND2 2.92Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.26Å; Y83-N87 WeakPolarHBondContact O-CB 3.38Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact O-ND2 3.25Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 3.09Å
88	T	93.5	Very high	88.6	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	27%	0.27	C	S	.	.	S	Bend	trans	-77.2	129.3	174.2	-68.5	0	0	0	0	110.7	N27 L28 R31 V84 V85 R86 G90 V91	N27-T88 HydrophobicContact CB-CG2 3.66Å; L28-T88 HydrophobicContact CD2-CG2 4.04Å; L28-T88 VanDerWaalsContact CD2-OG1 3.29Å; L28-T88 WeakPolarHBondContact CD2-OG1 3.31Å; L28-T88 HydrophobicContact CG-CG2 4.06Å; R31-T88 WeakPolarHBondContact CD-OG1 3.4Å; V84-T88 PolarHBondContact O-N 2.81Å; V84-T88 PolarHBondContact O-OG1 3.23Å; V85-T88 WeakPolarHBondContact O-CB 3.02Å; V85-T88 PolarHBondContact O-N 3.32Å; R86-T88 VanDerWaalsContact C-N 3.35Å; T88-G90 PolarHBondContact O-N 3.11Å; T88-V91 HydrophobicContact CG2-CG2 4.28Å; T88-V91 WeakPolarHBondContact O-CB 3.46Å; T88-V91 PolarHBondContact O-N 3.35Å
89	P	93.3	Very high	87	Confident	70 Å²	70	54 Å²	54	46%	0.455	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	128.3	179	-26	34.4	0	0	0	111.9
90	G	93.5	Very high	85.4	Confident	11 Å²	11	53.3 Å²	53.3	11%	0.113	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	-21.5	-176	0	0	0	0	0	113.8	T16 Y17 T88	T16-G90 CarbonylContact C-O 3.45Å; T16-G90 WeakPolarHBondContact CA-O 3.47Å; T16-G90 WeakPolarHBondContact CB-O 3.28Å; Y17-G90 PolarHBondContact N-O 3.38Å; T88-G90 PolarHBondContact O-N 3.11Å
91	V	94.1	Very high	83.8	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.8	177.8	179.6	0	0	0	0	110.2	T16 V24 R86 T88	T16-V91 HydrophobicContact CG2-CG2 4.47Å; V24-V91 HydrophobicContact CG1-CG2 3.6Å; V24-V91 HydrophobicContact CG2-CG2 4.12Å; R86-V91 PolarHBondContact NH1-O 2.78Å; T88-V91 HydrophobicContact CG2-CG2 4.28Å; T88-V91 WeakPolarHBondContact O-CB 3.46Å; T88-V91 PolarHBondContact O-N 3.35Å
92	T	91.5	Very high	82.7	Confident	41 Å²	41	52.6 Å²	52.6	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-24	176	66.8	0	0	0	0	112.5	H15 Y17 R86	H15-T92 WeakPolarHBondContact CB-OG1 3.49Å; H15-T92 PolarHBondContact ND1-OG1 2.87Å; H15-T92 PolarHBondContact O-N 3.42Å; H15-T92 PolarHBondContact O-OG1 3.3Å; Y17-T92 HydrophobicContact CD1-CG2 3.94Å; Y17-T92 HydrophobicContact CD2-CG2 4.3Å; Y17-T92 HydrophobicContact CE1-CG2 3.82Å; Y17-T92 HydrophobicContact CE2-CG2 4.18Å; Y17-T92 HydrophobicContact CG-CG2 4.18Å; R86-T92 PolarHBondContact NH1-O 2.9Å; R86-T92 PolarHBondContact NH2-O 3.28Å
93	G	91	Very high	82.1	Confident	12 Å²	12	51.7 Å²	51.7	12%	0.124	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	174.8	175.1	0	0	0	0	0	112.2	H15	H15-G93 PolarHBondContact N-O 2.85Å; H15-G93 PolarHBondContact O-N 3Å
94	F	91.3	Very high	81.8	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.9	166	-72.6	-95.8	0	0	0	109.9	L14 V73 M75 M77 W82 V85 R86 S97 P104	L14-F94 HydrophobicContact CD2-CD1 3.26Å; L14-F94 HydrophobicContact CD2-CD2 4.32Å; L14-F94 HydrophobicContact CD2-CE1 3.29Å; L14-F94 HydrophobicContact CD2-CE2 4.32Å; L14-F94 HydrophobicContact CD2-CG 3.82Å; L14-F94 HydrophobicContact CD2-CZ 3.86Å; V73-F94 HydrophobicContact CG1-CE1 4.35Å; M75-F94 HydrophobicContact CE-CZ 4.46Å; M75-F94 HydrophobicContact SD-CE1 3.94Å; M75-F94 HydrophobicContact SD-CZ 4.03Å; M77-F94 HydrophobicContact CE-CE1 4.02Å; M77-F94 HydrophobicContact CE-CZ 4.25Å; W82-F94 AromaticContact CD1-CD2 3.8Å; W82-F94 AromaticContact CD1-CE2 3.45Å; W82-F94 VanDerWaalsContact CD1-CE2 3.45Å; W82-F94 HydrophobicContact CG-CE2 4.16Å; W82-F94 AromaticContact NE1-CD2 3.72Å; W82-F94 AromaticContact NE1-CE2 3.78Å; V85-F94 HydrophobicContact CB-CE2 4.05Å; V85-F94 HydrophobicContact CB-CZ 3.61Å; V85-F94 HydrophobicContact CG1-CE1 3.95Å; V85-F94 HydrophobicContact CG1-CE2 3.83Å; V85-F94 HydrophobicContact CG1-CZ 3.35Å; V85-F94 HydrophobicContact CG2-CZ 4.3Å; R86-F94 HydrophobicContact CB-CE2 4.42Å; F94-S97 WeakPolarHBondContact O-CB 3.37Å; F94-S97 PolarHBondContact O-N 2.95Å; F94-P104 HydrophobicContact CB-CB 3.55Å; F94-P104 HydrophobicContact CB-CG 3.89Å; F94-P104 HydrophobicContact CD1-CB 4.02Å; F94-P104 HydrophobicContact CD1-CG 3.6Å; F94-P104 HydrophobicContact CD2-CG 4.35Å; F94-P104 HydrophobicContact CE1-CG 4.11Å; F94-P104 HydrophobicContact CG-CB 3.97Å; F94-P104 HydrophobicContact CG-CG 3.72Å
95	V	88.2	Confident	81.6	Confident	63 Å²	63	48.3 Å²	48.3	38%	0.382	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	139.3	169.4	-177.6	0	0	0	0	108.7	V13 H15 Y70 S97	V13-V95 HydrophobicContact CB-CB 3.99Å; V13-V95 HydrophobicContact CB-CG2 3.96Å; V13-V95 HydrophobicContact CG1-CB 4.23Å; V13-V95 HydrophobicContact CG1-CG2 3.66Å; V13-V95 PolarHBondContact O-N 3.31Å; H15-V95 HydrophobicContact CB-CG2 4.16Å; Y70-V95 HydrophobicContact CD1-CG2 4.1Å; Y70-V95 HydrophobicContact CE1-CG2 3.82Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 3.29Å
96	G	79.9	Confident	81.5	Confident	38 Å²	38	50.9 Å²	50.9	39%	0.392	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-7.9	-176.2	0	0	0	0	0	115.2	H98	G96-H98 PolarHBondContact O-N 2.97Å; G96-H98 PolarHBondContact O-ND1 3.1Å
97	S	72.7	Confident	81.5	Confident	37 Å²	37	48.4 Å²	48.4	26%	0.259	34%	0.337	S	S	.	.			trans	-79.1	99	170.5	-168.8	0	0	0	0	109.7	F94 V95 G99 S102	F94-S97 WeakPolarHBondContact O-CB 3.37Å; F94-S97 PolarHBondContact O-N 2.95Å; V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 PolarHBondContact O-N 3.29Å; S97-G99 PolarHBondContact O-N 2.82Å; S97-S102 PolarHBondContact OG-O 3.36Å
98	H	60.8	Low	81.4	Confident	161 Å²	161	50.6 Å²	50.6	75%	0.745	35%	0.347	S	S	*	.			trans	-75.4	72.2	176.3	-70.5	77.9	0	0	0	110.4	G96 A100 S102	G96-H98 PolarHBondContact O-N 2.97Å; G96-H98 PolarHBondContact O-ND1 3.1Å; H98-A100 WeakPolarHBondContact O-CB 3.46Å; H98-A100 PolarHBondContact O-N 2.82Å; H98-S102 PolarHBondContact N-OG 3.17Å; H98-S102 PolarHBondContact O-OG 3.04Å
99	G	55.1	Low	81	Confident	83 Å²	83	54.5 Å²	54.5	86%	0.856	37%	0.372	S	S	*	.	S	Bend	trans	55.2	-10.1	158.5	0	0	0	0	0	120.5	S97	S97-G99 PolarHBondContact O-N 2.82Å
100	A	55.9	Low	80.7	Confident	91 Å²	91	57.5 Å²	57.5	75%	0.752	38%	0.38	S	S	*	.	S	Bend	trans	-120.4	28.6	-164.9	0	0	0	0	0	112.4	H98 S102	H98-A100 WeakPolarHBondContact O-CB 3.46Å; H98-A100 PolarHBondContact O-N 2.82Å; A100-S102 PolarHBondContact O-N 2.76Å
101	G	57.3	Low	80.4	Confident	59 Å²	59	61.4 Å²	61.4	61%	0.608	40%	0.395	S	S	*	.	S	Bend	trans	71.1	15.1	-174.8	0	0	0	0	0	113.6	K103	G101-K103 PolarHBondContact O-N 3.21Å
102	S	68.2	Low	80.2	Confident	39 Å²	39	61 Å²	61	27%	0.273	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.1	120	171.4	45	0	0	0	0	109.6	S97 H98 A100	S97-S102 PolarHBondContact OG-O 3.36Å; H98-S102 PolarHBondContact N-OG 3.17Å; H98-S102 PolarHBondContact O-OG 3.04Å; A100-S102 PolarHBondContact O-N 2.76Å
103	K	78.3	Confident	80	Confident	49 Å²	49	62.4 Å²	62.4	21%	0.213	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-49.2	134.3	168.3	-67.7	-171.3	172.3	-162.2	0	108.8	E5 M77 D79 G101	E5-K103 IonicContact OE1-NZ 2.95Å; E5-K103 PolarHBondContact OE1-NZ 3.37Å; M77-K103 HydrophobicContact CG-CB 4.36Å; M77-K103 HydrophobicContact CG-CD 4.03Å; M77-K103 HydrophobicContact CG-CG 4.42Å; M77-K103 PolarHBondContact O-NZ 3.37Å; D79-K103 WeakPolarHBondContact OD1-CE 3.04Å; D79-K103 IonicContact OD1-NZ 3.56Å; D79-K103 PolarHBondContact OD1-NZ 2.88Å; G101-K103 PolarHBondContact O-N 3.21Å
104	P	86	Confident	79.7	Confident	8 Å²	8	68.5 Å²	68.5	5%	0.052	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-63.8	156.2	-176.6	30.5	-37.8	0	0	0	111.7	Y12 M77 F94	Y12-P104 HydrophobicContact CD1-CB 4.12Å; Y12-P104 HydrophobicContact CD1-CG 3.73Å; Y12-P104 HydrophobicContact CE1-CG 4.1Å; Y12-P104 HydrophobicContact CG-CG 4.48Å; M77-P104 HydrophobicContact CE-CG 3.35Å; M77-P104 HydrophobicContact SD-CG 4.03Å; F94-P104 HydrophobicContact CB-CB 3.55Å; F94-P104 HydrophobicContact CB-CG 3.89Å; F94-P104 HydrophobicContact CD1-CB 4.02Å; F94-P104 HydrophobicContact CD1-CG 3.6Å; F94-P104 HydrophobicContact CD2-CG 4.35Å; F94-P104 HydrophobicContact CE1-CG 4.11Å; F94-P104 HydrophobicContact CG-CB 3.97Å; F94-P104 HydrophobicContact CG-CG 3.72Å
105	A	86.7	Confident	79.6	Confident	64 Å²	64	69.5 Å²	69.5	53%	0.529	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-78.6	133.8	172.3	0	0	0	0	0	109.4
106	P	91.7	Very high	79.5	Confident	55 Å²	55	66.5 Å²	66.5	36%	0.357	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67	152.9	170.2	33.8	-39.2	0	0	0	110.2	Q10 W11 Y12	Q10-P106 HydrophobicContact CB-CB 3.95Å; Q10-P106 HydrophobicContact CG-CB 4.22Å; Q10-P106 VanDerWaalsContact OE1-CB 3.25Å; W11-P106 CarbonylContact O-C 3.44Å; W11-P106 VanDerWaalsContact O-CA 3.31Å; W11-P106 WeakPolarHBondContact O-CA 3.47Å; Y12-P106 HydrophobicContact CD1-CB 4.37Å; Y12-P106 HydrophobicContact CE1-CB 3.8Å
107	L	90.4	Very high	79.7	Confident	36 Å²	36	73.3 Å²	73.3	19%	0.188	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-67.1	146.5	164.9	-71	178.6	0	0	0	110	W11 V13 L72 I112 I115	W11-L107 HydrophobicContact CB-CB 4.34Å; W11-L107 HydrophobicContact CB-CD1 4.46Å; W11-L107 PolarHBondContact O-N 2.84Å; V13-L107 HydrophobicContact CG2-CD1 3.56Å; V13-L107 HydrophobicContact CG2-CD2 3.69Å; V13-L107 HydrophobicContact CG2-CG 3.67Å; L72-L107 HydrophobicContact CD2-CD1 4.03Å; L107-I112 HydrophobicContact CD1-CD1 4.33Å; L107-I115 HydrophobicContact CD1-CD1 4.36Å
108	M	89.7	Confident	80.1	Confident	120 Å²	120	74.7 Å²	74.7	59%	0.591	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-67.4	147.7	172.1	-57.7	-174.6	178.9	0	0	110.2	E110 E111 I112	M108-E110 WeakPolarHBondContact CB-OE2 3.08Å; M108-E110 PolarHBondContact O-N 2.86Å; M108-E111 HydrophobicContact CB-CG 4.09Å; M108-E111 WeakPolarHBondContact CB-OE2 3.37Å; M108-E111 WeakPolarHBondContact CG-OE2 3.44Å; M108-E111 PolarHBondContact N-OE2 2.95Å; M108-E111 WeakPolarHBondContact O-CB 3.32Å; M108-E111 PolarHBondContact O-N 3.38Å; M108-I112 PolarHBondContact O-N 2.8Å; M108-I112 VanDerWaalsContact O-N 3.11Å
109	P	86.2	Confident	81.1	Confident	85 Å²	85	68.4 Å²	68.4	55%	0.552	41%	0.406	S	S	*	.	H	α-helix	trans	-52.6	-37.3	176.9	-28.3	36.4	0	0	0	113.4	I112 N113	P109-I112 VanDerWaalsContact O-CG2 3.25Å; P109-I112 WeakPolarHBondContact O-CG2 3.29Å; P109-N113 VanDerWaalsContact O-CB 3.28Å; P109-N113 WeakPolarHBondContact O-CB 3.45Å; P109-N113 PolarHBondContact O-N 3.05Å; P109-N113 PolarHBondContact O-ND2 3.03Å
110	E	85.8	Confident	82.2	Confident	133 Å²	133	68 Å²	68	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-68.1	-38.5	178.5	-51.8	86.7	177.2	0	0	112.1	M108 H114	M108-E110 WeakPolarHBondContact CB-OE2 3.08Å; M108-E110 PolarHBondContact O-N 2.86Å; E110-H114 WeakPolarHBondContact O-CB 3.28Å; E110-H114 PolarHBondContact O-N 3.18Å
111	E	87.3	Confident	83.4	Confident	92 Å²	92	66.9 Å²	66.9	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-48.6	178.7	-66.5	177.6	117.3	0	0	111	M108 H114 I115	M108-E111 HydrophobicContact CB-CG 4.09Å; M108-E111 WeakPolarHBondContact CB-OE2 3.37Å; M108-E111 WeakPolarHBondContact CG-OE2 3.44Å; M108-E111 PolarHBondContact N-OE2 2.95Å; M108-E111 WeakPolarHBondContact O-CB 3.32Å; M108-E111 PolarHBondContact O-N 3.38Å; E111-H114 PolarHBondContact O-N 3.3Å; E111-I115 VanDerWaalsContact O-CG1 3.3Å; E111-I115 WeakPolarHBondContact O-CG1 3.26Å; E111-I115 PolarHBondContact O-N 2.97Å
112	I	90.1	Very high	84.4	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-40.9	179.6	-175.5	68.1	0	0	0	111.7	W11 L72 L107 M108 P109 H114 I115 L116 T123	W11-I112 HydrophobicContact CB-CB 4.24Å; W11-I112 HydrophobicContact CB-CD1 4Å; W11-I112 HydrophobicContact CB-CG1 3.99Å; W11-I112 HydrophobicContact CD2-CD1 3.43Å; W11-I112 VanDerWaalsContact CD2-CD1 3.43Å; W11-I112 HydrophobicContact CD2-CG1 3.61Å; W11-I112 HydrophobicContact CE3-CD1 3.55Å; W11-I112 HydrophobicContact CE3-CG1 4.27Å; W11-I112 HydrophobicContact CG-CB 4.17Å; W11-I112 HydrophobicContact CG-CD1 3.66Å; W11-I112 HydrophobicContact CG-CG1 3.47Å; W11-I112 VanDerWaalsContact CG-CG1 3.47Å; W11-I112 HydrophobicContact CG-CG2 4.45Å; W11-I112 HydrophobicContact CZ3-CD1 4.15Å; L72-I112 HydrophobicContact CD1-CD1 4.06Å; L107-I112 HydrophobicContact CD1-CD1 4.33Å; M108-I112 PolarHBondContact O-N 2.8Å; M108-I112 VanDerWaalsContact O-N 3.11Å; P109-I112 VanDerWaalsContact O-CG2 3.25Å; P109-I112 WeakPolarHBondContact O-CG2 3.29Å; I112-H114 VanDerWaalsContact C-N 3.26Å; I112-H114 PolarHBondContact O-N 3.11Å; I112-I115 PolarHBondContact O-N 3.09Å; I112-L116 HydrophobicContact CD1-CD1 3.98Å; I112-L116 HydrophobicContact CD1-CD2 4.16Å; I112-L116 HydrophobicContact CD1-CG 3.72Å; I112-L116 HydrophobicContact CG1-CD1 3.8Å; I112-L116 HydrophobicContact CG1-CG 3.93Å; I112-L116 WeakPolarHBondContact O-CB 3.47Å; I112-L116 WeakPolarHBondContact O-CG 3.46Å; I112-L116 PolarHBondContact O-N 2.75Å; I112-T123 HydrophobicContact CG1-CG2 3.92Å; I112-T123 HydrophobicContact CG2-CG2 3.93Å
113	N	86.7	Confident	84.8	Confident	69 Å²	69	64.6 Å²	64.6	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-40.3	176.3	-79	-34.4	0	0	0	111.3	P109 R117 T123	P109-N113 VanDerWaalsContact O-CB 3.28Å; P109-N113 WeakPolarHBondContact O-CB 3.45Å; P109-N113 PolarHBondContact O-N 3.05Å; P109-N113 PolarHBondContact O-ND2 3.03Å; N113-R117 WeakPolarHBondContact O-CB 3.41Å; N113-R117 PolarHBondContact O-N 3.27Å; N113-R117 VanDerWaalsContact O-N 3.07Å; N113-T123 WeakPolarHBondContact OD1-CG2 3.11Å; N113-T123 PolarHBondContact OD1-OG1 2.88Å
114	H	86.2	Confident	84.3	Confident	141 Å²	141	66.2 Å²	66.2	65%	0.653	36%	0.36	S	S	*	.	H	α-helix	trans	-64.7	-47.3	176.5	-173.4	67.7	0	0	0	112.1	E110 E111 I112 S118	E110-H114 WeakPolarHBondContact O-CB 3.28Å; E110-H114 PolarHBondContact O-N 3.18Å; E111-H114 PolarHBondContact O-N 3.3Å; I112-H114 VanDerWaalsContact C-N 3.26Å; I112-H114 PolarHBondContact O-N 3.11Å; H114-S118 PolarHBondContact O-N 3.1Å; H114-S118 VanDerWaalsContact O-N 3.08Å
115	I	88.2	Confident	83.2	Confident	31 Å²	31	69.6 Å²	69.6	16%	0.159	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-45.8	-178	-61.8	162.2	0	0	0	111.6	L72 L107 E111 I112 R117 S118 L119	L72-I115 HydrophobicContact CD1-CG2 3.67Å; L107-I115 HydrophobicContact CD1-CD1 4.36Å; E111-I115 VanDerWaalsContact O-CG1 3.3Å; E111-I115 WeakPolarHBondContact O-CG1 3.26Å; E111-I115 PolarHBondContact O-N 2.97Å; I112-I115 PolarHBondContact O-N 3.09Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 3.25Å; I115-S118 PolarHBondContact O-N 2.78Å; I115-S118 PolarHBondContact O-OG 3.5Å; I115-L119 HydrophobicContact CG2-CD1 4.2Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.3Å; I115-L119 PolarHBondContact O-N 3.18Å
116	L	87.2	Confident	81.7	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-65.1	-41.9	179	-67.9	-175.1	0	0	0	110.9	W11 V45 L72 I112 S118 L119 G120 M121 T123	W11-L116 HydrophobicContact CH2-CD1 4.03Å; W11-L116 HydrophobicContact CH2-CD2 4.22Å; W11-L116 HydrophobicContact CZ2-CD1 3.69Å; V45-L116 HydrophobicContact CG1-CD2 4.21Å; V45-L116 HydrophobicContact CG2-CD2 4.26Å; L72-L116 HydrophobicContact CD1-CD2 4.38Å; I112-L116 HydrophobicContact CD1-CD1 3.98Å; I112-L116 HydrophobicContact CD1-CD2 4.16Å; I112-L116 HydrophobicContact CD1-CG 3.72Å; I112-L116 HydrophobicContact CG1-CD1 3.8Å; I112-L116 HydrophobicContact CG1-CG 3.93Å; I112-L116 WeakPolarHBondContact O-CB 3.47Å; I112-L116 WeakPolarHBondContact O-CG 3.46Å; I112-L116 PolarHBondContact O-N 2.75Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.31Å; L116-L119 CarbonylContact O-C 3.57Å; L116-L119 WeakPolarHBondContact O-CA 3.46Å; L116-L119 WeakPolarHBondContact O-CB 3.25Å; L116-L119 PolarHBondContact O-N 2.89Å; L116-G120 PolarHBondContact O-N 2.83Å; L116-M121 CarbonylContact C-O 3.54Å; L116-M121 HydrophobicContact CB-CB 4.02Å; L116-M121 WeakPolarHBondContact CB-O 3.46Å; L116-M121 HydrophobicContact CD2-CB 4.27Å; L116-M121 HydrophobicContact CD2-SD 4.41Å; L116-M121 WeakPolarHBondContact O-CA 3.3Å; L116-M121 PolarHBondContact O-N 3.33Å; L116-M121 VanDerWaalsContact O-O 3.05Å; L116-T123 HydrophobicContact CD1-CG2 3.59Å
117	R	82.6	Confident	80.1	Confident	181 Å²	181	74 Å²	74	68%	0.683	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-38.9	177.4	-177	177.7	-71.1	-127.7	-3.1	112.3	N113 I115 L119 G120 M121	N113-R117 WeakPolarHBondContact O-CB 3.41Å; N113-R117 PolarHBondContact O-N 3.27Å; N113-R117 VanDerWaalsContact O-N 3.07Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 3.25Å; R117-L119 PolarHBondContact O-N 2.94Å; R117-G120 PolarHBondContact O-N 3.18Å; R117-M121 PolarHBondContact N-O 3.04Å
118	S	81.8	Confident	78.7	Confident	65 Å²	65	73.7 Å²	73.7	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-23.8	175.7	68.6	0	0	0	0	112.8	H114 I115 L116 G120	H114-S118 PolarHBondContact O-N 3.1Å; H114-S118 VanDerWaalsContact O-N 3.08Å; I115-S118 PolarHBondContact O-N 2.78Å; I115-S118 PolarHBondContact O-OG 3.5Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.31Å; S118-G120 VanDerWaalsContact C-N 3.33Å
119	L	82.8	Confident	77.8	Confident	30 Å²	30	76 Å²	76	16%	0.157	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.9	174	-59.1	169.3	0	0	0	113.1	V45 P47 I115 L116 R117 M121	V45-L119 HydrophobicContact CG1-CD1 3.9Å; P47-L119 HydrophobicContact CB-CD1 3.96Å; P47-L119 HydrophobicContact CB-CD2 4.43Å; I115-L119 HydrophobicContact CG2-CD1 4.2Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.3Å; I115-L119 PolarHBondContact O-N 3.18Å; L116-L119 CarbonylContact O-C 3.57Å; L116-L119 WeakPolarHBondContact O-CA 3.46Å; L116-L119 WeakPolarHBondContact O-CB 3.25Å; L116-L119 PolarHBondContact O-N 2.89Å; R117-L119 PolarHBondContact O-N 2.94Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 HydrophobicContact CB-CG 4.26Å; L119-M121 HydrophobicContact CB-SD 4.48Å; L119-M121 PolarHBondContact O-N 2.81Å
120	G	78.3	Confident	77.5	Confident	74 Å²	74	72.7 Å²	72.7	76%	0.763	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	23	-174.1	0	0	0	0	0	113.8	L116 R117 S118	L116-G120 PolarHBondContact O-N 2.83Å; R117-G120 PolarHBondContact O-N 3.18Å; S118-G120 VanDerWaalsContact C-N 3.33Å
121	M	80.2	Confident	77.6	Confident	67 Å²	67	73 Å²	73	33%	0.33	37%	0.371	S	S	.	.			trans	-112.9	155.6	-179.1	-62.2	-175.8	-172.8	0	0	111.3	R43 V45 L116 R117 L119	R43-M121 PolarHBondContact NH2-SD 2.86Å; V45-M121 HydrophobicContact CG1-CE 4.24Å; V45-M121 HydrophobicContact CG1-SD 3.73Å; V45-M121 HydrophobicContact CG2-SD 4.15Å; L116-M121 CarbonylContact C-O 3.54Å; L116-M121 HydrophobicContact CB-CB 4.02Å; L116-M121 WeakPolarHBondContact CB-O 3.46Å; L116-M121 HydrophobicContact CD2-CB 4.27Å; L116-M121 HydrophobicContact CD2-SD 4.41Å; L116-M121 WeakPolarHBondContact O-CA 3.3Å; L116-M121 PolarHBondContact O-N 3.33Å; L116-M121 VanDerWaalsContact O-O 3.05Å; R117-M121 PolarHBondContact N-O 3.04Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 HydrophobicContact CB-CG 4.26Å; L119-M121 HydrophobicContact CB-SD 4.48Å; L119-M121 PolarHBondContact O-N 2.81Å
122	S	78.5	Confident	77.7	Confident	17 Å²	17	73 Å²	73	12%	0.119	38%	0.377	C	S	.	.			trans	-106.5	156.4	170.7	-162	0	0	0	0	112.1	R43 R124 D178	R43-S122 PolarHBondContact NH1-O 2.95Å; S122-R124 PolarHBondContact OG-N 3.01Å; S122-D178 WeakPolarHBondContact CB-OD2 3.44Å; S122-D178 VanDerWaalsContact OG-CB 3.26Å; S122-D178 WeakPolarHBondContact OG-CB 3.36Å; S122-D178 PolarHBondContact OG-OD2 2.88Å
123	T	75.6	Confident	77.8	Confident	33 Å²	33	75.2 Å²	75.2	20%	0.202	40%	0.401	C	S	.	.	S	Bend	trans	-73.7	-16.1	168.4	44.3	0	0	0	0	112.4	I112 N113 L116	I112-T123 HydrophobicContact CG1-CG2 3.92Å; I112-T123 HydrophobicContact CG2-CG2 3.93Å; N113-T123 WeakPolarHBondContact OD1-CG2 3.11Å; N113-T123 PolarHBondContact OD1-OG1 2.88Å; L116-T123 HydrophobicContact CD1-CG2 3.59Å
124	R	69.3	Low	78.1	Confident	84 Å²	84	74.3 Å²	74.3	32%	0.317	40%	0.395	S	S	.	.	S	Bend	trans	-87.1	127.9	171.7	-65.3	-177.2	171	126.2	7.1	109.3	S122 E140 D178	S122-R124 PolarHBondContact OG-N 3.01Å; R124-E140 IonicContact CZ-OE1 2.76Å; R124-E140 IonicContact NH1-OE1 3.53Å; R124-E140 PolarHBondContact NH1-OE1 3.03Å; R124-E140 IonicContact NH2-OE1 3.8Å; R124-D178 HydrophobicContact CB-CB 4.04Å; R124-D178 VanDerWaalsContact CD-O 3.32Å; R124-D178 WeakPolarHBondContact CD-O 3.45Å; R124-D178 PolarHBondContact NH1-O 2.77Å
125	Q	61.2	Low	78.3	Confident	78 Å²	78	70.3 Å²	70.3	36%	0.364	38%	0.381	S	S	.	.			trans	-79.9	147.1	171.6	-69.6	-163.7	23.5	0	0	109.7	F42 E74 D127	F42-Q125 PolarHBondContact O-NE2 3.34Å; E74-Q125 PolarHBondContact OE2-NE2 3.27Å; Q125-D127 PolarHBondContact O-N 2.82Å
126	H	57.2	Low	78.5	Confident	80 Å²	80	68.9 Å²	68.9	37%	0.37	37%	0.373	S	S	.	.	S	Bend	trans	-68.8	18.7	-175.1	-68.7	-93	0	0	0	115.1	L128 D158 F177	H126-L128 PolarHBondContact O-N 2.8Å; H126-D158 WeakPolarHBondContact CE1-CB 3.17Å; H126-D158 IonicContact CE1-OD1 2.75Å; H126-D158 IonicContact CE1-OD2 3.93Å; H126-D158 PolarHBondContact CE1-OD2 2.87Å; H126-D158 IonicContact CG-OD1 3.26Å; H126-D158 VanDerWaalsContact ND1-CB 3.35Å; H126-D158 WeakPolarHBondContact ND1-CB 3.34Å; H126-D158 IonicContact ND1-OD1 3.31Å; H126-D158 PolarHBondContact ND1-OD1 3.45Å; H126-D158 IonicContact ND1-OD2 3.85Å; H126-D158 IonicContact NE2-OD2 3.9Å; H126-F177 HydrophobicContact CB-CD2 4.3Å; H126-F177 AromaticContact ND1-CD2 3.96Å
127	D	56	Low	78.7	Confident	133 Å²	133	73.5 Å²	73.5	71%	0.711	39%	0.393	S	S	*	.			trans	-77.3	33.3	177	-60.9	-25.9	0	0	0	111.7	Q125 E129	Q125-D127 PolarHBondContact O-N 2.82Å; D127-E129 PolarHBondContact O-N 2.86Å
128	L	61.9	Low	79.1	Confident	28 Å²	28	64.9 Å²	64.9	15%	0.147	36%	0.361	C	S	.	.			trans	-74.3	83.5	168.7	-162.4	90.5	0	0	0	107.1	H126 V130 F177 V180	H126-L128 PolarHBondContact O-N 2.8Å; L128-V130 HydrophobicContact CD1-CG1 4.44Å; L128-V130 HydrophobicContact CD2-CB 4.25Å; L128-V130 HydrophobicContact CD2-CG1 3.61Å; L128-V130 HydrophobicContact CD2-CG2 3.63Å; L128-V130 HydrophobicContact CG-CB 4.48Å; L128-V130 HydrophobicContact CG-CG1 3.64Å; L128-V130 HydrophobicContact CG-CG2 4.17Å; L128-V130 PolarHBondContact O-N 3.01Å; L128-F177 HydrophobicContact CB-CD2 4.17Å; L128-V180 HydrophobicContact CD1-CG2 4.33Å; L128-V180 WeakPolarHBondContact CD1-O 3.13Å; L128-V180 HydrophobicContact CD2-CG2 3.37Å; L128-V180 HydrophobicContact CG-CG2 4.5Å
129	E	70.1	Confident	79.4	Confident	168 Å²	168	63.7 Å²	63.7	79%	0.785	35%	0.349	S	S	*	.			trans	-68.6	86.4	168.8	-78.9	-178.3	-163.3	0	0	109	D127 K182	D127-E129 PolarHBondContact O-N 2.86Å; E129-K182 PolarHBondContact O-NZ 3.19Å
130	V	80.9	Confident	79.4	Confident	17 Å²	17	65.2 Å²	65.2	10%	0.103	36%	0.355	C	S	.	.			trans	-115	147	175.7	-75	0	0	0	0	112	L128 E134 V136 I150 I153 I160 K182	L128-V130 HydrophobicContact CD1-CG1 4.44Å; L128-V130 HydrophobicContact CD2-CB 4.25Å; L128-V130 HydrophobicContact CD2-CG1 3.61Å; L128-V130 HydrophobicContact CD2-CG2 3.63Å; L128-V130 HydrophobicContact CG-CB 4.48Å; L128-V130 HydrophobicContact CG-CG1 3.64Å; L128-V130 HydrophobicContact CG-CG2 4.17Å; L128-V130 PolarHBondContact O-N 3.01Å; V130-E134 VanDerWaalsContact CA-OE2 3.27Å; V130-E134 WeakPolarHBondContact CA-OE2 3.22Å; V130-V136 HydrophobicContact CG1-CG1 3.73Å; V130-I150 HydrophobicContact CB-CD1 3.38Å; V130-I150 HydrophobicContact CG1-CD1 3.78Å; V130-I150 HydrophobicContact CG2-CD1 3.62Å; V130-I153 HydrophobicContact CG2-CD1 4.03Å; V130-I153 WeakPolarHBondContact O-CD1 3.38Å; V130-I160 HydrophobicContact CG2-CG2 4.41Å; V130-K182 HydrophobicContact CG1-CB 4.48Å
131	E	86.9	Confident	79.8	Confident	139 Å²	139	64.3 Å²	64.3	65%	0.65	35%	0.346	S	S	*	.			trans	-112.4	152.9	173.6	-63.1	-177.3	-175.2	0	0	110.9	G133 E134	E131-G133 PolarHBondContact O-N 2.76Å; E131-E134 HydrophobicContact CB-CG 4.06Å; E131-E134 PolarHBondContact N-OE2 3.45Å; E131-E134 WeakPolarHBondContact O-CB 3.39Å; E131-E134 PolarHBondContact O-N 2.72Å
132	V	91.1	Very high	80.1	Confident	92 Å²	92	65.9 Å²	65.9	56%	0.558	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.9	171.2	176.8	0	0	0	0	109.1	I150 T151 I153	V132-I150 HydrophobicContact CG2-CG2 4.38Å; V132-T151 WeakPolarHBondContact CG1-O 3.43Å; V132-I153 HydrophobicContact CG2-CD1 4.05Å; V132-I153 HydrophobicContact CG2-CG1 4.04Å
133	G	91.5	Very high	80.7	Confident	51 Å²	51	67.4 Å²	67.4	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-8.2	-175.3	0	0	0	0	0	114.4	E131 I150	E131-G133 PolarHBondContact O-N 2.76Å; G133-I150 PolarHBondContact N-O 3Å
134	E	92.1	Very high	81.3	Confident	50 Å²	50	68.3 Å²	68.3	23%	0.234	39%	0.385	C	S	.	.			trans	-77.1	150.4	172.4	-67.5	-169.9	143.9	0	0	111.9	V130 E131 V149 I150 K182	V130-E134 VanDerWaalsContact CA-OE2 3.27Å; V130-E134 WeakPolarHBondContact CA-OE2 3.22Å; E131-E134 HydrophobicContact CB-CG 4.06Å; E131-E134 PolarHBondContact N-OE2 3.45Å; E131-E134 WeakPolarHBondContact O-CB 3.39Å; E131-E134 PolarHBondContact O-N 2.72Å; E134-V149 WeakPolarHBondContact O-CA 3.31Å; E134-I150 PolarHBondContact O-N 2.88Å; E134-K182 WeakPolarHBondContact OE1-CE 3.3Å; E134-K182 IonicContact OE1-NZ 2.75Å; E134-K182 PolarHBondContact OE1-NZ 3.41Å; E134-K182 VanDerWaalsContact OE2-CE 3.22Å; E134-K182 WeakPolarHBondContact OE2-CE 3.47Å; E134-K182 IonicContact OE2-NZ 2.79Å; E134-K182 PolarHBondContact OE2-NZ 3.34Å
135	T	91.5	Very high	82.2	Confident	58 Å²	58	67 Å²	67	36%	0.356	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.5	172.8	-49.8	0	0	0	0	109.4	E147 G148 I183	T135-E147 HydrophobicContact CG2-CB 4.03Å; T135-G148 WeakPolarHBondContact CA-O 3.13Å; T135-I183 HydrophobicContact CG2-CD1 3.6Å
136	V	91.9	Very high	83.7	Confident	0 Å²	0	66 Å²	66	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150.1	173.3	-68	0	0	0	0	110.6	V130 E147 G148 I150 I160 V180 D181	V130-V136 HydrophobicContact CG1-CG1 3.73Å; V136-E147 CarbonylContact O-C 3.53Å; V136-E147 WeakPolarHBondContact O-CA 3.42Å; V136-G148 WeakPolarHBondContact CG2-O 3.19Å; V136-G148 PolarHBondContact N-O 2.94Å; V136-G148 PolarHBondContact O-N 3.29Å; V136-I150 HydrophobicContact CG1-CD1 3.58Å; V136-I150 HydrophobicContact CG1-CG1 4.1Å; V136-I150 HydrophobicContact CG2-CD1 4.35Å; V136-I150 HydrophobicContact CG2-CG1 4Å; V136-I160 HydrophobicContact CG2-CD1 4.09Å; V136-V180 HydrophobicContact CB-CB 4.1Å; V136-V180 HydrophobicContact CB-CG1 4.49Å; V136-V180 HydrophobicContact CG2-CB 4.14Å; V136-V180 HydrophobicContact CG2-CG1 4.01Å; V136-D181 CarbonylContact C-O 3.55Å; V136-D181 WeakPolarHBondContact CA-O 3.28Å; V136-D181 WeakPolarHBondContact CB-O 3.14Å
137	K	91.6	Very high	85.4	Confident	98 Å²	98	67.9 Å²	67.9	43%	0.426	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	172.4	-176.1	176.1	-178.7	178.6	0	109.5	I139 V180 D181 I183	K137-I139 HydrophobicContact CG-CG2 4.33Å; K137-V180 CarbonylContact O-C 3.55Å; K137-V180 VanDerWaalsContact O-CA 3.25Å; K137-V180 WeakPolarHBondContact O-CA 3.17Å; K137-D181 PolarHBondContact N-O 3.49Å; K137-D181 PolarHBondContact O-N 2.64Å; K137-I183 HydrophobicContact CB-CD1 4.39Å; K137-I183 HydrophobicContact CB-CG1 4.12Å
138	I	90.9	Very high	87.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.7	175.3	-50.8	174.1	0	0	0	108.3	E140 F143 G145 L146 I164 L175 V180	I138-E140 VanDerWaalsContact CG2-O 3.28Å; I138-E140 WeakPolarHBondContact CG2-O 3.49Å; I138-F143 WeakPolarHBondContact CB-O 3.04Å; I138-F143 HydrophobicContact CD1-CB 3.7Å; I138-F143 HydrophobicContact CG2-CB 4.13Å; I138-G145 PolarHBondContact O-N 3.49Å; I138-L146 WeakPolarHBondContact CB-O 3.46Å; I138-L146 PolarHBondContact N-O 3.12Å; I138-I164 HydrophobicContact CD1-CD1 3.23Å; I138-I164 HydrophobicContact CD1-CG1 3.64Å; I138-L175 HydrophobicContact CD1-CD1 3.68Å; I138-L175 HydrophobicContact CG1-CD1 3.79Å; I138-L175 HydrophobicContact CG2-CD2 4.38Å; I138-V180 HydrophobicContact CG1-CG1 4.16Å
139	I	87.9	Confident	88.6	Confident	41 Å²	41	63.1 Å²	63.1	21%	0.21	38%	0.381	C	S	.	.			trans	-118	-18	-173.3	57.7	-170.2	0	0	0	112.5	K137 Q179 D181	K137-I139 HydrophobicContact CG-CG2 4.33Å; I139-Q179 WeakPolarHBondContact CG1-O 3.49Å; I139-Q179 PolarHBondContact N-O 3.15Å; I139-D181 HydrophobicContact CD1-CB 4.27Å; I139-D181 VanDerWaalsContact CD1-CG 3.42Å; I139-D181 WeakPolarHBondContact CD1-OD2 3.5Å; I139-D181 HydrophobicContact CG2-CB 4.37Å
140	E	83.7	Confident	89.8	Confident	62 Å²	62	55.2 Å²	55.2	29%	0.29	34%	0.344	S	S	.	.	S	Bend	trans	-133.4	166.7	176.9	-70.7	-170.6	-155.6	0	0	112.7	R124 I138 Q179	R124-E140 IonicContact CZ-OE1 2.76Å; R124-E140 IonicContact NH1-OE1 3.53Å; R124-E140 PolarHBondContact NH1-OE1 3.03Å; R124-E140 IonicContact NH2-OE1 3.8Å; I138-E140 VanDerWaalsContact CG2-O 3.28Å; I138-E140 WeakPolarHBondContact CG2-O 3.49Å; E140-Q179 HydrophobicContact CB-CB 4.38Å; E140-Q179 HydrophobicContact CB-CG 4.22Å; E140-Q179 PolarHBondContact N-O 3.26Å
141	G	86.5	Confident	90.4	Very high	55 Å²	55	57.1 Å²	57.1	57%	0.567	36%	0.356	S	S	*	.	S	Bend	trans	80	-167.4	179.5	0	0	0	0	0	114.3	F143 A144	G141-F143 PolarHBondContact O-N 3.46Å; G141-A144 WeakPolarHBondContact O-CB 3.01Å; G141-A144 PolarHBondContact O-N 3.04Å
142	A	86.8	Confident	90.7	Very high	100 Å²	100	55 Å²	55	83%	0.826	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.7	-173.7	0	0	0	0	0	113.9
143	F	89.2	Confident	90.7	Very high	48 Å²	48	52.6 Å²	52.6	21%	0.211	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	13.1	-176.3	-54.5	-78.1	0	0	0	112.8	I138 G141 G145 L146 I164 M166 T173	I138-F143 WeakPolarHBondContact CB-O 3.04Å; I138-F143 HydrophobicContact CD1-CB 3.7Å; I138-F143 HydrophobicContact CG2-CB 4.13Å; G141-F143 PolarHBondContact O-N 3.46Å; F143-G145 PolarHBondContact O-N 3.15Å; F143-L146 HydrophobicContact CB-CD1 4.18Å; F143-L146 HydrophobicContact CD1-CD1 4.19Å; F143-L146 WeakPolarHBondContact O-CB 3.41Å; F143-L146 WeakPolarHBondContact O-CG 3.29Å; F143-L146 PolarHBondContact O-N 2.93Å; F143-L146 VanDerWaalsContact O-N 3.12Å; F143-I164 HydrophobicContact CB-CD1 3.77Å; F143-I164 HydrophobicContact CD1-CD1 3.78Å; F143-I164 HydrophobicContact CD2-CD1 3.99Å; F143-I164 HydrophobicContact CE1-CD1 4.35Å; F143-I164 HydrophobicContact CG-CD1 3.57Å; F143-M166 HydrophobicContact CD1-CE 4.27Å; F143-M166 HydrophobicContact CD1-SD 3.7Å; F143-M166 HydrophobicContact CE1-CE 4.37Å; F143-M166 HydrophobicContact CE1-SD 3.59Å; F143-M166 VanDerWaalsContact CE1-SD 3.59Å; F143-T173 HydrophobicContact CD2-CG2 3.79Å; F143-T173 HydrophobicContact CE2-CG2 3.47Å; F143-T173 VanDerWaalsContact CE2-CG2 3.47Å; F143-T173 HydrophobicContact CZ-CG2 4.33Å
144	A	88.5	Confident	90.5	Very high	53 Å²	53	52.1 Å²	52.1	44%	0.438	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	133	178.8	0	0	0	0	0	112	G141	G141-A144 WeakPolarHBondContact O-CB 3.01Å; G141-A144 PolarHBondContact O-N 3.04Å
145	G	88.8	Confident	90	Very high	57 Å²	57	57.1 Å²	57.1	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-7.3	-176.7	0	0	0	0	0	114.9	I138 F143	I138-G145 PolarHBondContact O-N 3.49Å; F143-G145 PolarHBondContact O-N 3.15Å
146	L	92.4	Very high	89.3	Confident	57 Å²	57	63.3 Å²	63.3	30%	0.298	36%	0.363	S	S	.	.			trans	-93.2	161.3	175.8	-57.5	176.3	0	0	0	111.3	I138 F143 I164 M166	I138-L146 WeakPolarHBondContact CB-O 3.46Å; I138-L146 PolarHBondContact N-O 3.12Å; F143-L146 HydrophobicContact CB-CD1 4.18Å; F143-L146 HydrophobicContact CD1-CD1 4.19Å; F143-L146 WeakPolarHBondContact O-CB 3.41Å; F143-L146 WeakPolarHBondContact O-CG 3.29Å; F143-L146 PolarHBondContact O-N 2.93Å; F143-L146 VanDerWaalsContact O-N 3.12Å; L146-I164 HydrophobicContact CB-CG2 3.82Å; L146-I164 HydrophobicContact CD1-CG2 3.74Å; L146-I164 HydrophobicContact CG-CG2 4.4Å; L146-M166 HydrophobicContact CD1-CE 3.9Å; L146-M166 HydrophobicContact CD1-CG 3.96Å; L146-M166 HydrophobicContact CD1-SD 4.12Å
147	E	92.6	Very high	88.8	Confident	118 Å²	118	70 Å²	70	55%	0.551	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.3	173.4	-64	175.7	-174.6	0	0	109.1	T135 V136 I183	T135-E147 HydrophobicContact CG2-CB 4.03Å; V136-E147 CarbonylContact O-C 3.53Å; V136-E147 WeakPolarHBondContact O-CA 3.42Å; E147-I183 HydrophobicContact CB-CD1 4.45Å; E147-I183 HydrophobicContact CG-CD1 3.88Å
148	G	92.8	Very high	88.4	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.021	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.4	178	0	0	0	0	0	111.9	T135 V136 N163	T135-G148 WeakPolarHBondContact CA-O 3.13Å; V136-G148 WeakPolarHBondContact CG2-O 3.19Å; V136-G148 PolarHBondContact N-O 2.94Å; V136-G148 PolarHBondContact O-N 3.29Å; G148-N163 CarbonylContact C-O 3.53Å; G148-N163 WeakPolarHBondContact CA-O 3.37Å
149	V	94	Very high	88.3	Confident	60 Å²	60	70.3 Å²	70.3	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.8	176	-178	0	0	0	0	108.9	E134 T151 A162 N163	E134-V149 WeakPolarHBondContact O-CA 3.31Å; V149-T151 PolarHBondContact O-N 2.99Å; V149-A162 CarbonylContact O-C 3.59Å; V149-A162 VanDerWaalsContact O-CA 3.25Å; V149-A162 WeakPolarHBondContact O-CA 3.38Å; V149-N163 PolarHBondContact N-O 3.29Å; V149-N163 PolarHBondContact O-N 3.47Å
150	I	93.9	Very high	88.4	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.7	179.7	-62.5	173.4	0	0	0	109.8	V130 V132 G133 E134 V136 I153 I160 K161	V130-I150 HydrophobicContact CB-CD1 3.38Å; V130-I150 HydrophobicContact CG1-CD1 3.78Å; V130-I150 HydrophobicContact CG2-CD1 3.62Å; V132-I150 HydrophobicContact CG2-CG2 4.38Å; G133-I150 PolarHBondContact N-O 3Å; E134-I150 PolarHBondContact O-N 2.88Å; V136-I150 HydrophobicContact CG1-CD1 3.58Å; V136-I150 HydrophobicContact CG1-CG1 4.1Å; V136-I150 HydrophobicContact CG2-CD1 4.35Å; V136-I150 HydrophobicContact CG2-CG1 4Å; I150-I153 HydrophobicContact CG2-CD1 4.03Å; I150-I153 HydrophobicContact CG2-CG1 3.56Å; I150-I160 HydrophobicContact CD1-CD1 4.37Å; I150-I160 HydrophobicContact CG1-CD1 4.25Å; I150-K161 WeakPolarHBondContact CA-O 3.24Å
151	T	94.2	Very high	88.9	Confident	57 Å²	57	68.5 Å²	68.5	35%	0.35	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-27.7	177.6	55.6	0	0	0	0	112.7	V132 V149 K161 N163	V132-T151 WeakPolarHBondContact CG1-O 3.43Å; V149-T151 PolarHBondContact O-N 2.99Å; T151-K161 PolarHBondContact N-O 2.82Å; T151-K161 WeakPolarHBondContact OG1-CB 3.27Å; T151-K161 PolarHBondContact OG1-O 2.6Å; T151-N163 HydrophobicContact CG2-CB 4.24Å
152	E	92.4	Very high	89.3	Confident	93 Å²	93	65.9 Å²	65.9	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	146.4	-179.3	-162.3	-178	122.2	0	0	109.3	I160 K161	E152-I160 WeakPolarHBondContact O-CA 3.49Å; E152-K161 HydrophobicContact CB-CB 3.99Å; E152-K161 HydrophobicContact CB-CD 4.07Å; E152-K161 HydrophobicContact CB-CG 4.29Å; E152-K161 PolarHBondContact N-O 3.41Å; E152-K161 PolarHBondContact O-N 3.14Å; E152-K161 IonicContact OE1-NZ 2.66Å; E152-K161 PolarHBondContact OE1-NZ 3.44Å; E152-K161 IonicContact OE2-NZ 3.54Å; E152-K161 PolarHBondContact OE2-NZ 3.11Å
153	I	90.6	Very high	89.7	Confident	42 Å²	42	63.3 Å²	63.3	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.5	176.9	-58	170.8	0	0	0	107.6	V130 V132 I150 E155 I160 F177	V130-I153 HydrophobicContact CG2-CD1 4.03Å; V130-I153 WeakPolarHBondContact O-CD1 3.38Å; V132-I153 HydrophobicContact CG2-CD1 4.05Å; V132-I153 HydrophobicContact CG2-CG1 4.04Å; I150-I153 HydrophobicContact CG2-CD1 4.03Å; I150-I153 HydrophobicContact CG2-CG1 3.56Å; I153-E155 HydrophobicContact CG2-CG 3.87Å; I153-I160 HydrophobicContact CG1-CG2 4.21Å; I153-I160 HydrophobicContact CG2-CG2 4.32Å; I153-F177 HydrophobicContact CG2-CE1 4.11Å; I153-F177 HydrophobicContact CG2-CZ 3.75Å
154	D	88.5	Confident	89.9	Confident	42 Å²	42	61 Å²	61	23%	0.225	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	87	173.8	-174.1	-19.2	0	0	0	108	E156 R157 D158 K159	D154-E156 PolarHBondContact O-N 3.4Å; D154-E156 PolarHBondContact OD1-N 2.83Å; D154-R157 PolarHBondContact O-N 2.9Å; D154-R157 PolarHBondContact OD1-N 3.18Å; D154-R157 VanDerWaalsContact OD1-N 3.1Å; D154-R157 WeakPolarHBondContact OD2-CD 3.31Å; D154-R157 IonicContact OD2-NH1 3.04Å; D154-D158 PolarHBondContact O-N 3.31Å; D154-K159 WeakPolarHBondContact CA-O 3.39Å; D154-K159 HydrophobicContact CB-CB 4.39Å; D154-K159 PolarHBondContact N-O 2.95Å; D154-K159 PolarHBondContact O-N 3.46Å
155	E	82	Confident	89.8	Confident	155 Å²	155	63.4 Å²	63.4	72%	0.724	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.8	179.4	-63.7	-178.7	-179.9	0	0	112.5	I153 R157	I153-E155 HydrophobicContact CG2-CG 3.87Å; E155-R157 VanDerWaalsContact C-N 3.32Å
156	E	77.2	Confident	89.6	Confident	188 Å²	188	63.6 Å²	63.6	88%	0.879	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-30.2	179.4	-65.8	-169.3	168.7	0	0	111.9	D154	D154-E156 PolarHBondContact O-N 3.4Å; D154-E156 PolarHBondContact OD1-N 2.83Å
157	R	80.4	Confident	89.2	Confident	141 Å²	141	70.9 Å²	70.9	53%	0.532	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	2.5	-177.8	-64	176.9	57.1	-139.7	-0.8	113.4	D154 E155 K159	D154-R157 PolarHBondContact O-N 2.9Å; D154-R157 PolarHBondContact OD1-N 3.18Å; D154-R157 VanDerWaalsContact OD1-N 3.1Å; D154-R157 WeakPolarHBondContact OD2-CD 3.31Å; D154-R157 IonicContact OD2-NH1 3.04Å; E155-R157 VanDerWaalsContact C-N 3.32Å; R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 HydrophobicContact CB-CG 4.15Å; R157-K159 VanDerWaalsContact O-CG 3.3Å; R157-K159 WeakPolarHBondContact O-CG 3.36Å; R157-K159 PolarHBondContact O-N 3.45Å
158	D	82.8	Confident	88.7	Confident	59 Å²	59	68.4 Å²	68.4	32%	0.316	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.6	-175.5	-67.3	-55.6	0	0	0	113.6	H126 D154 F177	H126-D158 WeakPolarHBondContact CE1-CB 3.17Å; H126-D158 IonicContact CE1-OD1 2.75Å; H126-D158 IonicContact CE1-OD2 3.93Å; H126-D158 PolarHBondContact CE1-OD2 2.87Å; H126-D158 IonicContact CG-OD1 3.26Å; H126-D158 VanDerWaalsContact ND1-CB 3.35Å; H126-D158 WeakPolarHBondContact ND1-CB 3.34Å; H126-D158 IonicContact ND1-OD1 3.31Å; H126-D158 PolarHBondContact ND1-OD1 3.45Å; H126-D158 IonicContact ND1-OD2 3.85Å; H126-D158 IonicContact NE2-OD2 3.9Å; D154-D158 PolarHBondContact O-N 3.31Å; D158-F177 VanDerWaalsContact O-CD1 3.25Å; D158-F177 WeakPolarHBondContact O-CD1 3.28Å; D158-F177 PolarHBondContact O-N 3.04Å
159	K	89	Confident	88.4	Confident	44 Å²	44	77.8 Å²	77.8	19%	0.191	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.3	-177.4	-56.6	-158.4	172.5	-146.7	0	112.7	D154 R157 E174 L175 D176	D154-K159 WeakPolarHBondContact CA-O 3.39Å; D154-K159 HydrophobicContact CB-CB 4.39Å; D154-K159 PolarHBondContact N-O 2.95Å; D154-K159 PolarHBondContact O-N 3.46Å; R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 HydrophobicContact CB-CG 4.15Å; R157-K159 VanDerWaalsContact O-CG 3.3Å; R157-K159 WeakPolarHBondContact O-CG 3.36Å; R157-K159 PolarHBondContact O-N 3.45Å; K159-E174 HydrophobicContact CB-CG 4.18Å; K159-E174 HydrophobicContact CD-CG 3.73Å; K159-E174 WeakPolarHBondContact CD-OE1 3.13Å; K159-E174 WeakPolarHBondContact CE-OE1 3.37Å; K159-E174 IonicContact NZ-OE1 3.57Å; K159-E174 PolarHBondContact NZ-OE1 2.94Å; K159-L175 CarbonylContact C-O 3.53Å; K159-L175 WeakPolarHBondContact CA-O 3.33Å; K159-D176 WeakPolarHBondContact CE-OD1 3.43Å; K159-D176 IonicContact NZ-OD1 2.82Å
160	I	91.2	Very high	88.1	Confident	1 Å²	1	82 Å²	82	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.7	169.5	65.1	180	0	0	0	110.2	V130 V136 I150 E152 I153 E174 L175 F177 V180	V130-I160 HydrophobicContact CG2-CG2 4.41Å; V136-I160 HydrophobicContact CG2-CD1 4.09Å; I150-I160 HydrophobicContact CD1-CD1 4.37Å; I150-I160 HydrophobicContact CG1-CD1 4.25Å; E152-I160 WeakPolarHBondContact O-CA 3.49Å; I153-I160 HydrophobicContact CG1-CG2 4.21Å; I153-I160 HydrophobicContact CG2-CG2 4.32Å; I160-E174 CarbonylContact O-C 3.53Å; I160-E174 WeakPolarHBondContact O-CA 3.43Å; I160-L175 HydrophobicContact CD1-CB 4.46Å; I160-L175 HydrophobicContact CG1-CB 3.92Å; I160-L175 PolarHBondContact N-O 2.99Å; I160-L175 PolarHBondContact O-N 3.1Å; I160-F177 HydrophobicContact CG2-CD1 3.71Å; I160-F177 HydrophobicContact CG2-CE1 3.33Å; I160-F177 HydrophobicContact CG2-CZ 4.24Å; I160-V180 HydrophobicContact CD1-CB 4.26Å; I160-V180 HydrophobicContact CD1-CG1 3.92Å; I160-V180 HydrophobicContact CD1-CG2 3.54Å
161	K	93.9	Very high	88	Confident	65 Å²	65	84.5 Å²	84.5	28%	0.283	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.6	160.3	-65.6	178.6	-173.4	144.2	0	108.2	I150 T151 E152 T173	I150-K161 WeakPolarHBondContact CA-O 3.24Å; T151-K161 PolarHBondContact N-O 2.82Å; T151-K161 WeakPolarHBondContact OG1-CB 3.27Å; T151-K161 PolarHBondContact OG1-O 2.6Å; E152-K161 HydrophobicContact CB-CB 3.99Å; E152-K161 HydrophobicContact CB-CD 4.07Å; E152-K161 HydrophobicContact CB-CG 4.29Å; E152-K161 PolarHBondContact N-O 3.41Å; E152-K161 PolarHBondContact O-N 3.14Å; E152-K161 IonicContact OE1-NZ 2.66Å; E152-K161 PolarHBondContact OE1-NZ 3.44Å; E152-K161 IonicContact OE2-NZ 3.54Å; E152-K161 PolarHBondContact OE2-NZ 3.11Å; K161-T173 WeakPolarHBondContact CA-O 3.34Å
162	A	94.1	Very high	87.9	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	175.2	0	0	0	0	0	110.7	V149 T173 L175	V149-A162 CarbonylContact O-C 3.59Å; V149-A162 VanDerWaalsContact O-CA 3.25Å; V149-A162 WeakPolarHBondContact O-CA 3.38Å; A162-T173 PolarHBondContact N-O 2.65Å; A162-T173 PolarHBondContact O-N 3.26Å; A162-L175 HydrophobicContact CB-CD1 4.18Å
163	N	94.6	Very high	87.9	Confident	45 Å²	45	81.9 Å²	81.9	24%	0.241	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.6	169	-78.8	-6.4	0	0	0	109.1	G148 V149 T151 S172	G148-N163 CarbonylContact C-O 3.53Å; G148-N163 WeakPolarHBondContact CA-O 3.37Å; V149-N163 PolarHBondContact N-O 3.29Å; V149-N163 PolarHBondContact O-N 3.47Å; T151-N163 HydrophobicContact CG2-CB 4.24Å; N163-S172 WeakPolarHBondContact OD1-CB 3.38Å
164	I	93.3	Very high	88.1	Confident	0 Å²	0	84 Å²	84	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.7	179.2	-50.3	169.7	0	0	0	107.8	I138 F143 L146 M166 E170 T171 T173	I138-I164 HydrophobicContact CD1-CD1 3.23Å; I138-I164 HydrophobicContact CD1-CG1 3.64Å; F143-I164 HydrophobicContact CB-CD1 3.77Å; F143-I164 HydrophobicContact CD1-CD1 3.78Å; F143-I164 HydrophobicContact CD2-CD1 3.99Å; F143-I164 HydrophobicContact CE1-CD1 4.35Å; F143-I164 HydrophobicContact CG-CD1 3.57Å; L146-I164 HydrophobicContact CB-CG2 3.82Å; L146-I164 HydrophobicContact CD1-CG2 3.74Å; L146-I164 HydrophobicContact CG-CG2 4.4Å; I164-M166 HydrophobicContact CG2-CG 3.91Å; I164-M166 PolarHBondContact O-N 2.79Å; I164-E170 WeakPolarHBondContact O-CA 3.02Å; I164-T171 PolarHBondContact N-O 3.32Å; I164-T171 PolarHBondContact O-N 3.4Å; I164-T173 HydrophobicContact CD1-CG2 4.44Å
165	D	87.9	Confident	88.2	Confident	103 Å²	103	82.2 Å²	82.2	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	106.9	171.4	-173.9	-4.5	0	0	0	109.8	G168 R169	D165-G168 WeakPolarHBondContact OD1-CA 3.46Å; D165-G168 PolarHBondContact OD1-N 2.75Å; D165-R169 PolarHBondContact OD1-N 2.74Å
166	M	84.7	Confident	88.5	Confident	62 Å²	62	77.6 Å²	77.6	31%	0.305	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	102.6	171.7	-61.6	-174.9	79.5	0	0	109.2	F143 L146 I164 G168 R169	F143-M166 HydrophobicContact CD1-CE 4.27Å; F143-M166 HydrophobicContact CD1-SD 3.7Å; F143-M166 HydrophobicContact CE1-CE 4.37Å; F143-M166 HydrophobicContact CE1-SD 3.59Å; F143-M166 VanDerWaalsContact CE1-SD 3.59Å; L146-M166 HydrophobicContact CD1-CE 3.9Å; L146-M166 HydrophobicContact CD1-CG 3.96Å; L146-M166 HydrophobicContact CD1-SD 4.12Å; I164-M166 HydrophobicContact CG2-CG 3.91Å; I164-M166 PolarHBondContact O-N 2.79Å; M166-G168 VanDerWaalsContact C-N 3.34Å; M166-G168 PolarHBondContact O-N 2.85Å; M166-R169 PolarHBondContact N-O 2.85Å; M166-R169 PolarHBondContact O-N 3.35Å
167	F	82.2	Confident	88.9	Confident	210 Å²	210	69.4 Å²	69.4	92%	0.921	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	39.2	176	-51.6	-82.4	0	0	0	114	R169	F167-R169 VanDerWaalsContact C-N 3.35Å
168	G	82.2	Confident	89	Confident	66 Å²	66	64.2 Å²	64.2	68%	0.68	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	16.3	-179	0	0	0	0	0	113.7	D165 M166	D165-G168 WeakPolarHBondContact OD1-CA 3.46Å; D165-G168 PolarHBondContact OD1-N 2.75Å; M166-G168 VanDerWaalsContact C-N 3.34Å; M166-G168 PolarHBondContact O-N 2.85Å
169	R	87.5	Confident	89.1	Confident	198 Å²	198	63.4 Å²	63.4	75%	0.747	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.1	172.9	-68.7	-175.5	178.2	-179	-0.5	109.1	D165 M166 F167 T171	D165-R169 PolarHBondContact OD1-N 2.74Å; M166-R169 PolarHBondContact N-O 2.85Å; M166-R169 PolarHBondContact O-N 3.35Å; F167-R169 VanDerWaalsContact C-N 3.35Å; R169-T171 PolarHBondContact O-N 2.95Å
170	E	87.9	Confident	89.1	Confident	148 Å²	148	61.4 Å²	61.4	69%	0.692	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.6	172.7	-63.9	-176.4	170.6	0	0	109.7	I164	I164-E170 WeakPolarHBondContact O-CA 3.02Å
171	T	91	Very high	88.8	Confident	55 Å²	55	64.9 Å²	64.9	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.4	171.4	-56.4	0	0	0	0	108.1	I164 R169	I164-T171 PolarHBondContact N-O 3.32Å; I164-T171 PolarHBondContact O-N 3.4Å; R169-T171 PolarHBondContact O-N 2.95Å
172	S	92.4	Very high	88.4	Confident	76 Å²	76	66.5 Å²	66.5	53%	0.531	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.9	172.6	-179.1	0	0	0	0	109.1	N163	N163-S172 WeakPolarHBondContact OD1-CB 3.38Å
173	T	93.1	Very high	87.7	Confident	19 Å²	19	73.2 Å²	73.2	12%	0.117	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.4	-178.3	-62.2	0	0	0	0	110.1	F143 K161 A162 I164 L175	F143-T173 HydrophobicContact CD2-CG2 3.79Å; F143-T173 HydrophobicContact CE2-CG2 3.47Å; F143-T173 VanDerWaalsContact CE2-CG2 3.47Å; F143-T173 HydrophobicContact CZ-CG2 4.33Å; K161-T173 WeakPolarHBondContact CA-O 3.34Å; A162-T173 PolarHBondContact N-O 2.65Å; A162-T173 PolarHBondContact O-N 3.26Å; I164-T173 HydrophobicContact CD1-CG2 4.44Å; T173-L175 HydrophobicContact CG2-CD2 3.82Å; T173-L175 HydrophobicContact CG2-CG 4.06Å
174	E	93.5	Very high	87.4	Confident	87 Å²	87	74.6 Å²	74.6	41%	0.407	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	168.1	-173.9	179.6	97.1	0	0	108.7	K159 I160	K159-E174 HydrophobicContact CB-CG 4.18Å; K159-E174 HydrophobicContact CD-CG 3.73Å; K159-E174 WeakPolarHBondContact CD-OE1 3.13Å; K159-E174 WeakPolarHBondContact CE-OE1 3.37Å; K159-E174 IonicContact NZ-OE1 3.57Å; K159-E174 PolarHBondContact NZ-OE1 2.94Å; I160-E174 CarbonylContact O-C 3.53Å; I160-E174 WeakPolarHBondContact O-CA 3.43Å
175	L	91	Very high	87.1	Confident	5 Å²	5	78.5 Å²	78.5	3%	0.026	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.7	-178.9	-61.8	166.8	0	0	0	108.8	I138 K159 I160 A162 T173 V180	I138-L175 HydrophobicContact CD1-CD1 3.68Å; I138-L175 HydrophobicContact CG1-CD1 3.79Å; I138-L175 HydrophobicContact CG2-CD2 4.38Å; K159-L175 CarbonylContact C-O 3.53Å; K159-L175 WeakPolarHBondContact CA-O 3.33Å; I160-L175 HydrophobicContact CD1-CB 4.46Å; I160-L175 HydrophobicContact CG1-CB 3.92Å; I160-L175 PolarHBondContact N-O 2.99Å; I160-L175 PolarHBondContact O-N 3.1Å; A162-L175 HydrophobicContact CB-CD1 4.18Å; T173-L175 HydrophobicContact CG2-CD2 3.82Å; T173-L175 HydrophobicContact CG2-CG 4.06Å; L175-V180 HydrophobicContact CB-CG1 4.31Å; L175-V180 HydrophobicContact CD1-CG1 3.68Å
176	D	88.4	Confident	87	Confident	57 Å²	57	77.2 Å²	77.2	31%	0.305	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	152.7	170.9	-55.2	-47.8	0	0	0	109.2	K159 D178 Q179	K159-D176 WeakPolarHBondContact CE-OD1 3.43Å; K159-D176 IonicContact NZ-OD1 2.82Å; D176-D178 VanDerWaalsContact CB-OD1 3.23Å; D176-D178 WeakPolarHBondContact CB-OD1 3.09Å; D176-D178 PolarHBondContact O-N 3.05Å; D176-D178 VanDerWaalsContact O-N 3.11Å; D176-Q179 HydrophobicContact CB-CG 4.18Å; D176-Q179 VanDerWaalsContact N-OE1 3.11Å; D176-Q179 WeakPolarHBondContact O-CB 3.16Å; D176-Q179 PolarHBondContact O-N 3.25Å; D176-Q179 PolarHBondContact OD2-NE2 2.75Å
177	F	85.9	Confident	87.1	Confident	17 Å²	17	78.1 Å²	78.1	8%	0.075	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-57.1	-29.2	-178	-83.7	29.3	0	0	0	113.2	H126 L128 I153 D158 I160 Q179	H126-F177 HydrophobicContact CB-CD2 4.3Å; H126-F177 AromaticContact ND1-CD2 3.96Å; L128-F177 HydrophobicContact CB-CD2 4.17Å; I153-F177 HydrophobicContact CG2-CE1 4.11Å; I153-F177 HydrophobicContact CG2-CZ 3.75Å; D158-F177 VanDerWaalsContact O-CD1 3.25Å; D158-F177 WeakPolarHBondContact O-CD1 3.28Å; D158-F177 PolarHBondContact O-N 3.04Å; I160-F177 HydrophobicContact CG2-CD1 3.71Å; I160-F177 HydrophobicContact CG2-CE1 3.33Å; I160-F177 HydrophobicContact CG2-CZ 4.24Å; F177-Q179 VanDerWaalsContact C-N 3.27Å; F177-Q179 PolarHBondContact O-N 3.18Å
178	D	81.6	Confident	87.5	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.171	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-78.5	-9.1	178.7	70.2	-21.8	0	0	0	114.2	S122 R124 D176	S122-D178 WeakPolarHBondContact CB-OD2 3.44Å; S122-D178 VanDerWaalsContact OG-CB 3.26Å; S122-D178 WeakPolarHBondContact OG-CB 3.36Å; S122-D178 PolarHBondContact OG-OD2 2.88Å; R124-D178 HydrophobicContact CB-CB 4.04Å; R124-D178 VanDerWaalsContact CD-O 3.32Å; R124-D178 WeakPolarHBondContact CD-O 3.45Å; R124-D178 PolarHBondContact NH1-O 2.77Å; D176-D178 VanDerWaalsContact CB-OD1 3.23Å; D176-D178 WeakPolarHBondContact CB-OD1 3.09Å; D176-D178 PolarHBondContact O-N 3.05Å; D176-D178 VanDerWaalsContact O-N 3.11Å
179	Q	86.1	Confident	87.8	Confident	41 Å²	41	70.1 Å²	70.1	19%	0.192	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-90.1	-2	179.1	-63.2	178.3	-21.1	0	0	113.3	I139 E140 D176 F177	I139-Q179 WeakPolarHBondContact CG1-O 3.49Å; I139-Q179 PolarHBondContact N-O 3.15Å; E140-Q179 HydrophobicContact CB-CB 4.38Å; E140-Q179 HydrophobicContact CB-CG 4.22Å; E140-Q179 PolarHBondContact N-O 3.26Å; D176-Q179 HydrophobicContact CB-CG 4.18Å; D176-Q179 VanDerWaalsContact N-OE1 3.11Å; D176-Q179 WeakPolarHBondContact O-CB 3.16Å; D176-Q179 PolarHBondContact O-N 3.25Å; D176-Q179 PolarHBondContact OD2-NE2 2.75Å; F177-Q179 VanDerWaalsContact C-N 3.27Å; F177-Q179 PolarHBondContact O-N 3.18Å
180	V	88.4	Confident	87.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.2	-175.7	-65.1	0	0	0	0	112.8	L128 V136 K137 I138 I160 L175	L128-V180 HydrophobicContact CD1-CG2 4.33Å; L128-V180 WeakPolarHBondContact CD1-O 3.13Å; L128-V180 HydrophobicContact CD2-CG2 3.37Å; L128-V180 HydrophobicContact CG-CG2 4.5Å; V136-V180 HydrophobicContact CB-CB 4.1Å; V136-V180 HydrophobicContact CB-CG1 4.49Å; V136-V180 HydrophobicContact CG2-CB 4.14Å; V136-V180 HydrophobicContact CG2-CG1 4.01Å; K137-V180 CarbonylContact O-C 3.55Å; K137-V180 VanDerWaalsContact O-CA 3.25Å; K137-V180 WeakPolarHBondContact O-CA 3.17Å; I138-V180 HydrophobicContact CG1-CG1 4.16Å; I160-V180 HydrophobicContact CD1-CB 4.26Å; I160-V180 HydrophobicContact CD1-CG1 3.92Å; I160-V180 HydrophobicContact CD1-CG2 3.54Å; L175-V180 HydrophobicContact CB-CG1 4.31Å; L175-V180 HydrophobicContact CD1-CG1 3.68Å
181	D	86.2	Confident	87.8	Confident	74 Å²	74	54.2 Å²	54.2	40%	0.396	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.7	168.8	-80.9	-30.7	0	0	0	109.3	V136 K137 I139	V136-D181 CarbonylContact C-O 3.55Å; V136-D181 WeakPolarHBondContact CA-O 3.28Å; V136-D181 WeakPolarHBondContact CB-O 3.14Å; K137-D181 PolarHBondContact N-O 3.49Å; K137-D181 PolarHBondContact O-N 2.64Å; I139-D181 HydrophobicContact CD1-CB 4.27Å; I139-D181 VanDerWaalsContact CD1-CG 3.42Å; I139-D181 WeakPolarHBondContact CD1-OD2 3.5Å; I139-D181 HydrophobicContact CG2-CB 4.37Å
182	K	84.1	Confident	87.6	Confident	100 Å²	100	54.2 Å²	54.2	44%	0.435	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.4	168	-170.7	170.3	-171.1	153.7	0	110.1	E129 V130 E134	E129-K182 PolarHBondContact O-NZ 3.19Å; V130-K182 HydrophobicContact CG1-CB 4.48Å; E134-K182 WeakPolarHBondContact OE1-CE 3.3Å; E134-K182 IonicContact OE1-NZ 2.75Å; E134-K182 PolarHBondContact OE1-NZ 3.41Å; E134-K182 VanDerWaalsContact OE2-CE 3.22Å; E134-K182 WeakPolarHBondContact OE2-CE 3.47Å; E134-K182 IonicContact OE2-NZ 2.79Å; E134-K182 PolarHBondContact OE2-NZ 3.34Å
183	I	80	Confident	87.1	Confident	140 Å²	140	52.2 Å²	52.2	72%	0.718	26%	0.259	S	S	*	.			trans	-84.5	0	175.2	-59.5	-178.1	0	0	0	110.9	T135 K137 E147	T135-I183 HydrophobicContact CG2-CD1 3.6Å; K137-I183 HydrophobicContact CB-CD1 4.39Å; K137-I183 HydrophobicContact CB-CG1 4.12Å; E147-I183 HydrophobicContact CB-CD1 4.45Å; E147-I183 HydrophobicContact CG-CD1 3.88Å

Retrieved 183 of 183 residues in 120.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).