A0A077ZI01_TRITR Loading...

Cpn60 TCP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077ZI01_TRITR|A0A077ZI01
MIDRYFTFVINDEDAEACVLSPRNPSNDILIEMDRNLQDALHVVGNVFLNPKVLPGGDAKNEALDINGITGEMANRNKLNMRNLLTVRAQVHKTAIETPIMLLRVDKVLKVECRRRRTLINLSRINGI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	51.6	Low	210 Å²	210	130.9 Å²	130.9	100%	1.034	63%	0.628	S	S	*	*				0	102.6	0	-165.5	165.7	90.9	0	0	107	D3	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 VanDerWaalsContact CE-OD1 3.28Å; M1-D3 WeakPolarHBondContact CE-OD1 3.38Å; M1-D3 PolarHBondContact O-N 3.24Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2	I	44.3	Very low	53.1	Low	158 Å²	158	121 Å²	121	81%	0.81	58%	0.581	S	S	*	*			trans	-80.2	92	175	-58.4	169.5	0	0	0	105	R4	I2-R4 PolarHBondContact O-N 3.17Å
3	D	47	Very low	54.4	Low	75 Å²	75	126.8 Å²	126.8	40%	0.401	61%	0.607	S	S	.	*			trans	-60	104	168.5	-75.2	-21.7	0	0	0	107	M1 Y5	M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 VanDerWaalsContact CE-OD1 3.28Å; M1-D3 WeakPolarHBondContact CE-OD1 3.38Å; M1-D3 PolarHBondContact O-N 3.24Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 HydrophobicContact CB-CD2 3.96Å; D3-Y5 HydrophobicContact CB-CE1 4.01Å; D3-Y5 HydrophobicContact CB-CE2 3.28Å; D3-Y5 WeakPolarHBondContact CB-OH 3.31Å; D3-Y5 WeakPolarHBondContact O-CD2 3.33Å; D3-Y5 WeakPolarHBondContact O-CE2 3.19Å; D3-Y5 PolarHBondContact O-N 2.62Å; D3-Y5 PolarHBondContact OD2-OH 3.25Å
4	R	40.1	Very low	55.6	Low	207 Å²	207	126.6 Å²	126.6	78%	0.781	61%	0.611	S	S	*	*			trans	-70.6	90	173.1	-70	-175.8	-176.1	171.3	1.6	107	I2 F6	I2-R4 PolarHBondContact O-N 3.17Å; R4-F6 WeakPolarHBondContact O-CD2 3.15Å; R4-F6 PolarHBondContact O-N 2.92Å
5	Y	46.7	Very low	56.7	Low	104 Å²	104	120.8 Å²	120.8	41%	0.408	59%	0.592	S	S	.	*			trans	-73.3	117.7	170.8	-62.4	-72.8	0	0	0	107.9	D3 R23	D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 HydrophobicContact CB-CD2 3.96Å; D3-Y5 HydrophobicContact CB-CE1 4.01Å; D3-Y5 HydrophobicContact CB-CE2 3.28Å; D3-Y5 WeakPolarHBondContact CB-OH 3.31Å; D3-Y5 WeakPolarHBondContact O-CD2 3.33Å; D3-Y5 WeakPolarHBondContact O-CE2 3.19Å; D3-Y5 PolarHBondContact O-N 2.62Å; D3-Y5 PolarHBondContact OD2-OH 3.25Å; Y5-R23 VanDerWaalsContact CD1-NH2 3.34Å; Y5-R23 PolarHBondContact OH-NH2 3.46Å
6	F	51.6	Low	58.1	Low	151 Å²	151	120 Å²	120	66%	0.662	59%	0.586	S	S	*	*			trans	-78.7	120.3	176.6	-59.6	-84.4	0	0	0	108.9	R4 F8	R4-F6 WeakPolarHBondContact O-CD2 3.15Å; R4-F6 PolarHBondContact O-N 2.92Å; F6-F8 HydrophobicContact CB-CE2 4.07Å; F6-F8 HydrophobicContact CB-CZ 4.06Å; F6-F8 PolarHBondContact O-N 2.91Å
7	T	56.1	Low	59.4	Low	70 Å²	70	116.1 Å²	116.1	43%	0.429	58%	0.578	S	S	.	*			trans	-83.4	108.8	165.8	-56.3	0	0	0	0	107.4	V9 V108 V111	T7-V9 HydrophobicContact CG2-CG2 4.3Å; T7-V9 PolarHBondContact O-N 3.43Å; T7-V108 PolarHBondContact OG1-O 2.97Å; T7-V111 HydrophobicContact CG2-CG2 3.79Å
8	F	56.2	Low	60.5	Low	146 Å²	146	113.6 Å²	113.6	64%	0.64	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.4	104.9	172.7	-62.5	-83.5	0	0	0	108.1	F6 V111	F6-F8 HydrophobicContact CB-CE2 4.07Å; F6-F8 HydrophobicContact CB-CZ 4.06Å; F6-F8 PolarHBondContact O-N 2.91Å; F8-V111 PolarHBondContact O-N 2.65Å
9	V	63.6	Low	61.5	Low	77 Å²	77	112.5 Å²	112.5	47%	0.467	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.7	107.3	166.1	-175.8	0	0	0	0	106.2	T7 N11 V111	T7-V9 HydrophobicContact CG2-CG2 4.3Å; T7-V9 PolarHBondContact O-N 3.43Å; V9-N11 HydrophobicContact CG1-CB 4.33Å; V9-N11 PolarHBondContact O-N 3.36Å; V9-V111 HydrophobicContact CG2-CB 4.44Å; V9-V111 HydrophobicContact CG2-CG2 4.08Å
10	I	64.4	Low	62.4	Low	95 Å²	95	109.6 Å²	109.6	49%	0.487	56%	0.557	S	S	.	*			trans	-72.6	87.4	166.5	-59	173.2	0	0	0	104.9	D12	I10-D12 PolarHBondContact O-N 3.32Å
11	N	64.5	Low	63	Low	147 Å²	147	107.3 Å²	107.3	79%	0.786	55%	0.552	S	S	*	*			trans	-73.5	124.5	-176.2	-137.3	2.2	0	0	0	107.8	V9	V9-N11 HydrophobicContact CG1-CB 4.33Å; V9-N11 PolarHBondContact O-N 3.36Å
12	D	68.9	Low	65	Low	12 Å²	12	98 Å²	98	6%	0.064	51%	0.507	C	S	.	.			trans	-129.2	116.8	-175.1	-169.4	-22.1	0	0	0	106.4	I10 D14 A15 C113 R115	I10-D12 PolarHBondContact O-N 3.32Å; D12-D14 PolarHBondContact O-N 3.06Å; D12-D14 VanDerWaalsContact O-N 3.1Å; D12-D14 PolarHBondContact OD1-N 3.49Å; D12-A15 HydrophobicContact CB-CB 4.23Å; D12-A15 WeakPolarHBondContact O-CB 3.43Å; D12-A15 PolarHBondContact O-N 3.18Å; D12-A15 VanDerWaalsContact O-N 3.16Å; D12-C113 HydrophobicContact CB-CB 4.38Å; D12-R115 IonicContact OD1-CZ 2.93Å; D12-R115 IonicContact OD1-NE 2.9Å; D12-R115 PolarHBondContact OD1-NE 3.23Å; D12-R115 IonicContact OD1-NH1 3.52Å; D12-R115 IonicContact OD1-NH2 3.17Å; D12-R115 PolarHBondContact OD1-NH2 2.72Å; D12-R115 WeakPolarHBondContact OD2-CD 3.42Å; D12-R115 WeakPolarHBondContact OD2-CG 3.38Å; D12-R115 IonicContact OD2-CZ 3.45Å; D12-R115 IonicContact OD2-NE 3.27Å; D12-R115 PolarHBondContact OD2-NE 2.81Å; D12-R115 IonicContact OD2-NH1 2.67Å; D12-R115 PolarHBondContact OD2-NH1 2.79Å; D12-R115 IonicContact OD2-NH2 3.39Å; D12-R115 PolarHBondContact OD2-NH2 3.42Å
13	E	70.6	Confident	66.4	Low	197 Å²	197	95 Å²	95	92%	0.921	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.4	-174.8	-62.2	-176.6	179.2	0	0	111.9
14	D	71.6	Confident	67.8	Low	124 Å²	124	98.2 Å²	98.2	66%	0.663	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	27.5	-178.6	-61.9	-49.8	0	0	0	113.5	D12 E16	D12-D14 PolarHBondContact O-N 3.06Å; D12-D14 VanDerWaalsContact O-N 3.1Å; D12-D14 PolarHBondContact OD1-N 3.49Å; D14-E16 PolarHBondContact O-N 3.15Å
15	A	71.2	Confident	69.4	Low	39 Å²	39	91.7 Å²	91.7	32%	0.322	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	116.5	177.4	0	0	0	0	0	112.2	D12 C113	D12-A15 HydrophobicContact CB-CB 4.23Å; D12-A15 WeakPolarHBondContact O-CB 3.43Å; D12-A15 PolarHBondContact O-N 3.18Å; D12-A15 VanDerWaalsContact O-N 3.16Å; A15-C113 HydrophobicContact CB-CB 3.61Å
16	E	78.9	Confident	71.2	Confident	108 Å²	108	89.1 Å²	89.1	51%	0.505	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-32.1	173.8	-175.9	174.5	178.4	0	0	112.1	D14 R114 R116	D14-E16 PolarHBondContact O-N 3.15Å; E16-R114 PolarHBondContact N-O 3.44Å; E16-R116 IonicContact OE1-CZ 2.72Å; E16-R116 IonicContact OE1-NH1 2.77Å; E16-R116 PolarHBondContact OE1-NH1 2.93Å; E16-R116 IonicContact OE1-NH2 3.33Å; E16-R116 PolarHBondContact OE1-NH2 3.28Å; E16-R116 VanDerWaalsContact OE2-CB 3.29Å; E16-R116 WeakPolarHBondContact OE2-CB 3.4Å; E16-R116 WeakPolarHBondContact OE2-CD 3.36Å; E16-R116 WeakPolarHBondContact OE2-CG 3.36Å; E16-R116 IonicContact OE2-CZ 2.91Å; E16-R116 VanDerWaalsContact OE2-CZ 3.27Å; E16-R116 IonicContact OE2-NE 3.25Å; E16-R116 PolarHBondContact OE2-NE 2.91Å; E16-R116 IonicContact OE2-NH1 2.78Å; E16-R116 PolarHBondContact OE2-NH1 2.86Å
17	A	80.7	Confident	72.8	Confident	54 Å²	54	87.8 Å²	87.8	45%	0.446	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.6	178.1	0	0	0	0	0	109.5	C113 R114	A17-C113 CarbonylContact O-C 3.54Å; A17-C113 VanDerWaalsContact O-CA 3.31Å; A17-C113 WeakPolarHBondContact O-CA 3.2Å; A17-R114 PolarHBondContact O-N 3.25Å
18	C	79.4	Confident	74.2	Confident	71 Å²	71	90.2 Å²	90.2	48%	0.48	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132	172.9	-62.4	0	0	0	0	109.7	V111 C113	C18-V111 HydrophobicContact CB-CG1 4.06Å; C18-C113 HydrophobicContact CB-CB 4.22Å; C18-C113 WeakPolarHBondContact CB-SG 3.48Å; C18-C113 WeakPolarHBondContact SG-CB 3.3Å; C18-C113 CovalentContact SG-SG 2.06Å; C18-C113 PolarHBondContact SG-SG 3.23Å
19	V	80.1	Confident	75.4	Confident	93 Å²	93	85.6 Å²	85.6	56%	0.564	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.1	178.5	-179.5	0	0	0	0	108.4	V111 E112	V19-V111 WeakPolarHBondContact O-CA 3.5Å; V19-E112 PolarHBondContact N-O 2.8Å; V19-E112 PolarHBondContact O-N 3.41Å
20	L	78.5	Confident	76.4	Confident	53 Å²	53	85.2 Å²	85.2	28%	0.277	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.7	175.5	-57.8	176.4	0	0	0	109.1	P22 L37 L103 V108 V111	L20-P22 WeakPolarHBondContact O-CD 3.28Å; L20-L37 HydrophobicContact CD1-CD1 3.92Å; L20-L103 HydrophobicContact CD1-CD1 4.29Å; L20-L103 HydrophobicContact CD1-CD2 3.95Å; L20-V108 HydrophobicContact CB-CG1 4.38Å; L20-V111 HydrophobicContact CD2-CB 4.05Å; L20-V111 HydrophobicContact CD2-CG1 3.79Å; L20-V111 HydrophobicContact CD2-CG2 3.36Å
21	S	76.4	Confident	77.4	Confident	62 Å²	62	84.5 Å²	84.5	43%	0.434	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	106.3	176.8	-171.3	0	0	0	0	110.8	L109 K110	S21-L109 PolarHBondContact O-N 2.71Å; S21-K110 PolarHBondContact N-O 3.28Å; S21-K110 PolarHBondContact O-N 3.43Å
22	P	75.1	Confident	78.5	Confident	15 Å²	15	81.5 Å²	81.5	10%	0.097	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	158.8	171.6	31.4	-34.3	0	0	0	112.5	L20 P25 L30 V108	L20-P22 WeakPolarHBondContact O-CD 3.28Å; P22-P25 HydrophobicContact CG-CB 3.88Å; P22-P25 HydrophobicContact CG-CG 4.43Å; P22-L30 HydrophobicContact CG-CD2 3.78Å; P22-V108 HydrophobicContact CB-CG2 4.47Å
23	R	73.3	Confident	79.2	Confident	94 Å²	94	81.5 Å²	81.5	36%	0.355	45%	0.448	S	S	.	.	S	Bend	trans	-61.8	-48.2	-179.3	-88.2	-156.9	-91.9	178.5	-1.1	114.1	Y5 K107 L109	Y5-R23 VanDerWaalsContact CD1-NH2 3.34Å; Y5-R23 PolarHBondContact OH-NH2 3.46Å; R23-K107 PolarHBondContact N-O 2.86Å; R23-L109 HydrophobicContact CB-CD1 4.41Å; R23-L109 HydrophobicContact CB-CG 4.27Å; R23-L109 HydrophobicContact CG-CD1 3.44Å; R23-L109 VanDerWaalsContact CG-CD1 3.44Å; R23-L109 HydrophobicContact CG-CD2 3.3Å; R23-L109 HydrophobicContact CG-CG 3.17Å
24	N	76	Confident	80	Confident	143 Å²	143	76.3 Å²	76.3	77%	0.765	43%	0.427	S	S	*	.	S	Bend	trans	-137.3	82.5	-175.2	-78.5	-12.3	0	0	0	106.9	S26	N24-S26 PolarHBondContact O-N 2.81Å; N24-S26 VanDerWaalsContact O-N 3.15Å
25	P	73.6	Confident	80.9	Confident	70 Å²	70	76 Å²	76	46%	0.455	42%	0.416	S	S	.	.			trans	-67.9	112.2	176	23.7	-28	0	0	0	109.4	P22 L30	P22-P25 HydrophobicContact CG-CB 3.88Å; P22-P25 HydrophobicContact CG-CG 4.43Å; P25-L30 HydrophobicContact CB-CD1 3.55Å; P25-L30 HydrophobicContact CB-CD2 3.92Å; P25-L30 HydrophobicContact CB-CG 3.6Å
26	S	84.1	Confident	81.6	Confident	50 Å²	50	76.3 Å²	76.3	35%	0.35	41%	0.413	S	S	.	.			trans	-78.6	149.3	149.7	67.4	0	0	0	0	108.1	N24 D28 I29 L30	N24-S26 PolarHBondContact O-N 2.81Å; N24-S26 VanDerWaalsContact O-N 3.15Å; S26-D28 PolarHBondContact O-N 3.28Å; S26-I29 PolarHBondContact O-N 3.01Å; S26-I29 WeakPolarHBondContact OG-CD1 3.26Å; S26-I29 WeakPolarHBondContact OG-CG1 3.42Å; S26-I29 PolarHBondContact OG-N 3.48Å; S26-L30 PolarHBondContact O-N 2.93Å
27	N	85.8	Confident	82.1	Confident	124 Å²	124	73.8 Å²	73.8	66%	0.663	40%	0.403	S	S	*	.	H	α-helix	trans	-56.8	-36.4	177	-71.1	-29.1	0	0	0	111.1	L30 I31	N27-L30 PolarHBondContact O-N 2.86Å; N27-I31 WeakPolarHBondContact O-CB 3.35Å; N27-I31 WeakPolarHBondContact O-CD1 3.15Å; N27-I31 WeakPolarHBondContact O-CG1 3.02Å; N27-I31 PolarHBondContact O-N 3Å
28	D	86.7	Confident	82.5	Confident	120 Å²	120	75.3 Å²	75.3	64%	0.642	40%	0.4	S	S	*	.	H	α-helix	trans	-63.7	-45	178.6	-55.4	-31.1	0	0	0	111.8	S26 L30 I31 E32	S26-D28 PolarHBondContact O-N 3.28Å; D28-L30 PolarHBondContact O-N 3.45Å; D28-I31 PolarHBondContact O-N 3.48Å; D28-E32 WeakPolarHBondContact O-CG 3.41Å; D28-E32 PolarHBondContact O-N 3.32Å
29	I	81.3	Confident	83.1	Confident	50 Å²	50	76.7 Å²	76.7	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-44.1	177.2	-67.9	167.5	0	0	0	110.3	S26 I31 E32 M33 D106	S26-I29 PolarHBondContact O-N 3.01Å; S26-I29 WeakPolarHBondContact OG-CD1 3.26Å; S26-I29 WeakPolarHBondContact OG-CG1 3.42Å; S26-I29 PolarHBondContact OG-N 3.48Å; I29-I31 VanDerWaalsContact C-N 3.32Å; I29-I31 PolarHBondContact O-N 3Å; I29-E32 PolarHBondContact O-N 2.99Å; I29-M33 HydrophobicContact CG2-CG 4.12Å; I29-M33 HydrophobicContact CG2-SD 3.73Å; I29-M33 WeakPolarHBondContact O-CB 3.32Å; I29-M33 WeakPolarHBondContact O-CG 3.45Å; I29-M33 PolarHBondContact O-N 3.42Å; I29-D106 HydrophobicContact CG2-CB 4.15Å
30	L	83.6	Confident	83.6	Confident	69 Å²	69	72.6 Å²	72.6	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-42.9	177.9	-73.7	-179.5	0	0	0	111.9	P22 P25 S26 N27 D28 M33 D34	P22-L30 HydrophobicContact CG-CD2 3.78Å; P25-L30 HydrophobicContact CB-CD1 3.55Å; P25-L30 HydrophobicContact CB-CD2 3.92Å; P25-L30 HydrophobicContact CB-CG 3.6Å; S26-L30 PolarHBondContact O-N 2.93Å; N27-L30 PolarHBondContact O-N 2.86Å; D28-L30 PolarHBondContact O-N 3.45Å; L30-M33 PolarHBondContact O-N 3.41Å; L30-D34 WeakPolarHBondContact O-CB 3.46Å; L30-D34 PolarHBondContact O-N 2.88Å
31	I	86.5	Confident	84	Confident	80 Å²	80	75.6 Å²	75.6	41%	0.41	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178.5	-68.9	164.4	0	0	0	110.3	N27 D28 I29 D34 R35	N27-I31 WeakPolarHBondContact O-CB 3.35Å; N27-I31 WeakPolarHBondContact O-CD1 3.15Å; N27-I31 WeakPolarHBondContact O-CG1 3.02Å; N27-I31 PolarHBondContact O-N 3Å; D28-I31 PolarHBondContact O-N 3.48Å; I29-I31 VanDerWaalsContact C-N 3.32Å; I29-I31 PolarHBondContact O-N 3Å; I31-D34 PolarHBondContact O-N 3.49Å; I31-R35 VanDerWaalsContact CG2-NH1 3.32Å; I31-R35 WeakPolarHBondContact O-CB 3.41Å; I31-R35 VanDerWaalsContact O-CG 3.31Å; I31-R35 WeakPolarHBondContact O-CG 3.42Å; I31-R35 PolarHBondContact O-N 3.02Å
32	E	86.5	Confident	84.7	Confident	83 Å²	83	78.2 Å²	78.2	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-69.1	-38.9	176.8	-68.9	-62.3	177.6	0	0	113.4	D28 I29 R35 N36	D28-E32 WeakPolarHBondContact O-CG 3.41Å; D28-E32 PolarHBondContact O-N 3.32Å; I29-E32 PolarHBondContact O-N 2.99Å; E32-R35 PolarHBondContact O-N 3.45Å; E32-R35 IonicContact OE1-CZ 2.71Å; E32-R35 IonicContact OE1-NE 2.85Å; E32-R35 IonicContact OE1-NH2 2.62Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; E32-R35 IonicContact OE2-CZ 3.63Å; E32-R35 IonicContact OE2-NE 3.88Å; E32-R35 PolarHBondContact OE2-NE 2.98Å; E32-R35 IonicContact OE2-NH2 3.17Å; E32-R35 PolarHBondContact OE2-NH2 3.33Å; E32-R35 VanDerWaalsContact OE2-NH2 3.17Å; E32-N36 PolarHBondContact O-N 2.96Å; E32-N36 PolarHBondContact O-ND2 2.88Å
33	M	84.1	Confident	85.3	Confident	13 Å²	13	80.7 Å²	80.7	6%	0.064	41%	0.414	C	S	.	.	H	α-helix	trans	-62.6	-44.4	174.3	-73.2	179.7	60.8	0	0	111	I29 L30 N36 L37 L103 V108	I29-M33 HydrophobicContact CG2-CG 4.12Å; I29-M33 HydrophobicContact CG2-SD 3.73Å; I29-M33 WeakPolarHBondContact O-CB 3.32Å; I29-M33 WeakPolarHBondContact O-CG 3.45Å; I29-M33 PolarHBondContact O-N 3.42Å; L30-M33 PolarHBondContact O-N 3.41Å; M33-N36 PolarHBondContact O-N 2.97Å; M33-L37 WeakPolarHBondContact O-CB 3.46Å; M33-L37 WeakPolarHBondContact O-CG 3.5Å; M33-L37 PolarHBondContact O-N 3.44Å; M33-L103 HydrophobicContact CE-CD2 3.31Å; M33-V108 HydrophobicContact CE-CG2 3.82Å
34	D	86.2	Confident	85.9	Confident	88 Å²	88	77.7 Å²	77.7	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-45.4	177.3	-175.1	43.3	0	0	0	111.4	L30 I31 N36 L37 Q38	L30-D34 WeakPolarHBondContact O-CB 3.46Å; L30-D34 PolarHBondContact O-N 2.88Å; I31-D34 PolarHBondContact O-N 3.49Å; D34-N36 PolarHBondContact O-N 3.27Å; D34-L37 PolarHBondContact O-N 3.14Å; D34-Q38 WeakPolarHBondContact O-CB 3.23Å; D34-Q38 VanDerWaalsContact O-CG 3.26Å; D34-Q38 WeakPolarHBondContact O-CG 3.4Å; D34-Q38 PolarHBondContact O-N 3.47Å; D34-Q38 PolarHBondContact OD1-NE2 3.15Å; D34-Q38 PolarHBondContact OD2-NE2 3.22Å
35	R	91.3	Very high	86.3	Confident	116 Å²	116	71.9 Å²	71.9	44%	0.438	38%	0.381	S	S	.	.	H	α-helix	trans	-56	-49.2	175.2	-79.5	-164.6	-78.8	-115.1	11	112.5	I31 E32 L37 Q38 D39	I31-R35 VanDerWaalsContact CG2-NH1 3.32Å; I31-R35 WeakPolarHBondContact O-CB 3.41Å; I31-R35 VanDerWaalsContact O-CG 3.31Å; I31-R35 WeakPolarHBondContact O-CG 3.42Å; I31-R35 PolarHBondContact O-N 3.02Å; E32-R35 PolarHBondContact O-N 3.45Å; E32-R35 IonicContact OE1-CZ 2.71Å; E32-R35 IonicContact OE1-NE 2.85Å; E32-R35 IonicContact OE1-NH2 2.62Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; E32-R35 IonicContact OE2-CZ 3.63Å; E32-R35 IonicContact OE2-NE 3.88Å; E32-R35 PolarHBondContact OE2-NE 2.98Å; E32-R35 IonicContact OE2-NH2 3.17Å; E32-R35 PolarHBondContact OE2-NH2 3.33Å; E32-R35 VanDerWaalsContact OE2-NH2 3.17Å; R35-L37 PolarHBondContact O-N 2.91Å; R35-Q38 PolarHBondContact O-N 3.26Å; R35-D39 PolarHBondContact O-N 3.1Å
36	N	86.5	Confident	86.6	Confident	47 Å²	47	73.4 Å²	73.4	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-68.4	-35.5	-179	-81.6	-80.6	0	0	0	113	E32 M33 D34 A40 P99 L102	E32-N36 PolarHBondContact O-N 2.96Å; E32-N36 PolarHBondContact O-ND2 2.88Å; M33-N36 PolarHBondContact O-N 2.97Å; D34-N36 PolarHBondContact O-N 3.27Å; N36-A40 WeakPolarHBondContact O-CB 3.22Å; N36-A40 PolarHBondContact O-N 3.01Å; N36-P99 HydrophobicContact CB-CB 4.48Å; N36-L102 HydrophobicContact CB-CD1 3.61Å; N36-L102 WeakPolarHBondContact ND2-CD1 3.35Å
37	L	88	Confident	86.3	Confident	55 Å²	55	72.6 Å²	72.6	29%	0.288	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-41.7	174.1	-77.8	167.5	0	0	0	111.4	L20 M33 D34 R35 D39 A40 L41 P99	L20-L37 HydrophobicContact CD1-CD1 3.92Å; M33-L37 WeakPolarHBondContact O-CB 3.46Å; M33-L37 WeakPolarHBondContact O-CG 3.5Å; M33-L37 PolarHBondContact O-N 3.44Å; D34-L37 PolarHBondContact O-N 3.14Å; R35-L37 PolarHBondContact O-N 2.91Å; L37-D39 VanDerWaalsContact C-N 3.35Å; L37-D39 PolarHBondContact O-N 2.88Å; L37-A40 PolarHBondContact O-N 3.29Å; L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 WeakPolarHBondContact O-CG 3.14Å; L37-L41 PolarHBondContact O-N 2.85Å; L37-P99 HydrophobicContact CD2-CB 3.81Å; L37-P99 HydrophobicContact CD2-CG 4.13Å; L37-P99 HydrophobicContact CG-CB 4.2Å
38	Q	90.3	Very high	85.8	Confident	86 Å²	86	73.7 Å²	73.7	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-44.7	175.5	-74	173.9	18.8	0	0	111.4	D34 R35 L41 H42	D34-Q38 WeakPolarHBondContact O-CB 3.23Å; D34-Q38 VanDerWaalsContact O-CG 3.26Å; D34-Q38 WeakPolarHBondContact O-CG 3.4Å; D34-Q38 PolarHBondContact O-N 3.47Å; D34-Q38 PolarHBondContact OD1-NE2 3.15Å; D34-Q38 PolarHBondContact OD2-NE2 3.22Å; R35-Q38 PolarHBondContact O-N 3.26Å; Q38-L41 PolarHBondContact O-N 2.9Å; Q38-H42 WeakPolarHBondContact O-CB 3.32Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 3.47Å; Q38-H42 PolarHBondContact O-ND1 2.9Å
39	D	91.7	Very high	85	Confident	99 Å²	99	74.7 Å²	74.7	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-45.9	177.8	-73.2	-18	0	0	0	112.1	R35 L37 L41 H42 V43	R35-D39 PolarHBondContact O-N 3.1Å; L37-D39 VanDerWaalsContact C-N 3.35Å; L37-D39 PolarHBondContact O-N 2.88Å; D39-L41 PolarHBondContact O-N 2.91Å; D39-H42 PolarHBondContact O-N 3.49Å; D39-V43 WeakPolarHBondContact O-CG2 3.12Å; D39-V43 PolarHBondContact O-N 3.4Å
40	A	90.4	Very high	84.2	Confident	7 Å²	7	77.4 Å²	77.4	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-58.3	-48.3	175.1	0	0	0	0	0	111.7	N36 L37 H42 V43 V44 A95 P99	N36-A40 WeakPolarHBondContact O-CB 3.22Å; N36-A40 PolarHBondContact O-N 3.01Å; L37-A40 PolarHBondContact O-N 3.29Å; A40-H42 VanDerWaalsContact C-N 3.35Å; A40-H42 PolarHBondContact O-N 3.34Å; A40-V43 PolarHBondContact O-N 3.04Å; A40-V44 WeakPolarHBondContact O-CB 3.49Å; A40-V44 VanDerWaalsContact O-CG2 3.27Å; A40-V44 WeakPolarHBondContact O-CG2 3.27Å; A40-V44 PolarHBondContact O-N 3.33Å; A40-A95 WeakPolarHBondContact CB-O 3.28Å; A40-P99 HydrophobicContact CB-CG 3.86Å
41	L	87.9	Confident	83.1	Confident	116 Å²	116	75.7 Å²	75.7	61%	0.607	39%	0.389	S	S	*	.	H	α-helix	trans	-65	-36.8	179.6	-71.4	172.6	0	0	0	112.2	L37 Q38 D39 V44 G45	L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 WeakPolarHBondContact O-CG 3.14Å; L37-L41 PolarHBondContact O-N 2.85Å; Q38-L41 PolarHBondContact O-N 2.9Å; D39-L41 PolarHBondContact O-N 2.91Å; L41-V44 PolarHBondContact O-N 3.46Å; L41-G45 PolarHBondContact O-N 2.85Å
42	H	89.4	Confident	81.6	Confident	117 Å²	117	81.2 Å²	81.2	54%	0.542	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-41.8	174.6	-74.2	147.7	0	0	0	112.1	Q38 D39 A40 G45 N46	Q38-H42 WeakPolarHBondContact O-CB 3.32Å; Q38-H42 VanDerWaalsContact O-CG 3.24Å; Q38-H42 PolarHBondContact O-N 3.47Å; Q38-H42 PolarHBondContact O-ND1 2.9Å; D39-H42 PolarHBondContact O-N 3.49Å; A40-H42 VanDerWaalsContact C-N 3.35Å; A40-H42 PolarHBondContact O-N 3.34Å; H42-G45 PolarHBondContact O-N 3.27Å; H42-N46 VanDerWaalsContact O-CB 3.26Å; H42-N46 WeakPolarHBondContact O-CB 3.31Å; H42-N46 PolarHBondContact O-N 3.38Å; H42-N46 PolarHBondContact O-ND2 3.27Å
43	V	87.8	Confident	80.1	Confident	67 Å²	67	79.6 Å²	79.6	41%	0.406	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-48.4	175	172.1	0	0	0	0	110.4	D39 A40 G45 N46 V47 V91 A95	D39-V43 WeakPolarHBondContact O-CG2 3.12Å; D39-V43 PolarHBondContact O-N 3.4Å; A40-V43 PolarHBondContact O-N 3.04Å; V43-G45 PolarHBondContact O-N 3.31Å; V43-N46 PolarHBondContact O-N 3.37Å; V43-V47 WeakPolarHBondContact O-CB 3.3Å; V43-V47 WeakPolarHBondContact O-CG2 3.28Å; V43-V47 PolarHBondContact O-N 3.37Å; V43-V91 HydrophobicContact CG1-CG1 3.94Å; V43-A95 HydrophobicContact CB-CB 4.36Å; V43-A95 HydrophobicContact CG1-CB 4.04Å
44	V	86.3	Confident	78.3	Confident	32 Å²	32	84.2 Å²	84.2	19%	0.194	43%	0.43	C	S	.	.	H	α-helix	trans	-59.5	-46	177.8	167.8	0	0	0	0	111.2	A40 L41 V47 F48 H92 A95	A40-V44 WeakPolarHBondContact O-CB 3.49Å; A40-V44 VanDerWaalsContact O-CG2 3.27Å; A40-V44 WeakPolarHBondContact O-CG2 3.27Å; A40-V44 PolarHBondContact O-N 3.33Å; L41-V44 PolarHBondContact O-N 3.46Å; V44-V47 PolarHBondContact O-N 3.49Å; V44-F48 PolarHBondContact O-N 2.92Å; V44-H92 WeakPolarHBondContact CG2-ND1 3.49Å; V44-A95 HydrophobicContact CG2-CB 4Å
45	G	84.4	Confident	76.5	Confident	21 Å²	21	86.2 Å²	86.2	22%	0.216	45%	0.448	C	S	.	.	H	α-helix	trans	-64.3	-42.5	178.3	0	0	0	0	0	112.5	L41 H42 V43 V47 F48 L49	L41-G45 PolarHBondContact O-N 2.85Å; H42-G45 PolarHBondContact O-N 3.27Å; V43-G45 PolarHBondContact O-N 3.31Å; G45-V47 VanDerWaalsContact C-N 3.31Å; G45-V47 PolarHBondContact O-N 3.33Å; G45-F48 PolarHBondContact O-N 2.67Å; G45-L49 WeakPolarHBondContact O-CB 3.48Å; G45-L49 WeakPolarHBondContact O-CG 3.14Å; G45-L49 PolarHBondContact O-N 2.84Å
46	N	80.1	Confident	74.2	Confident	101 Å²	101	82.8 Å²	82.8	54%	0.54	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-40	176.1	-76.9	-17.2	0	0	0	111.8	H42 V43 N50	H42-N46 VanDerWaalsContact O-CB 3.26Å; H42-N46 WeakPolarHBondContact O-CB 3.31Å; H42-N46 PolarHBondContact O-N 3.38Å; H42-N46 PolarHBondContact O-ND2 3.27Å; V43-N46 PolarHBondContact O-N 3.37Å; N46-N50 CarbonylContact O-C 3.42Å; N46-N50 PolarHBondContact O-N 3.37Å; N46-N50 VanDerWaalsContact O-N 3.14Å
47	V	77.5	Confident	72.1	Confident	33 Å²	33	82.8 Å²	82.8	20%	0.2	46%	0.46	C	S	.	.	H	α-helix	trans	-70.7	-36.6	179	173.5	0	0	0	0	112	V43 V44 G45 R88 V91	V43-V47 WeakPolarHBondContact O-CB 3.3Å; V43-V47 WeakPolarHBondContact O-CG2 3.28Å; V43-V47 PolarHBondContact O-N 3.37Å; V44-V47 PolarHBondContact O-N 3.49Å; G45-V47 VanDerWaalsContact C-N 3.31Å; G45-V47 PolarHBondContact O-N 3.33Å; V47-R88 HydrophobicContact CG1-CB 4.34Å; V47-R88 HydrophobicContact CG1-CG 3.83Å; V47-V91 HydrophobicContact CG2-CG1 3.83Å
48	F	74.8	Confident	70.1	Confident	148 Å²	148	85.5 Å²	85.5	65%	0.649	48%	0.475	S	S	*	.	H	α-helix	trans	-81.6	-46.4	179.7	-107.9	-81.5	0	0	0	113.8	V44 G45 H92	V44-F48 PolarHBondContact O-N 2.92Å; G45-F48 PolarHBondContact O-N 2.67Å; F48-H92 AromaticContact CD2-CE1 3.33Å; F48-H92 WeakPolarHBondContact CD2-CE1 3.29Å; F48-H92 AromaticContact CD2-NE2 3.28Å; F48-H92 VanDerWaalsContact CD2-NE2 3.28Å; F48-H92 WeakPolarHBondContact CD2-NE2 3.31Å; F48-H92 AromaticContact CE2-CD2 3.92Å; F48-H92 AromaticContact CE2-CE1 3.55Å; F48-H92 AromaticContact CE2-NE2 3.18Å; F48-H92 WeakPolarHBondContact CE2-NE2 3.34Å
49	L	70.1	Confident	68.3	Low	141 Å²	141	84.4 Å²	84.4	74%	0.738	48%	0.48	S	S	*	.	H	α-helix	trans	-79.9	-34.9	-173.8	-63.2	172.8	0	0	0	112	G45 P51	G45-L49 WeakPolarHBondContact O-CB 3.48Å; G45-L49 WeakPolarHBondContact O-CG 3.14Å; G45-L49 PolarHBondContact O-N 2.84Å; L49-P51 WeakPolarHBondContact O-CD 3.37Å
50	N	64.7	Low	66.4	Low	106 Å²	106	88.4 Å²	88.4	57%	0.567	49%	0.493	S	S	*	.			trans	-126.6	64.3	-176	-66.9	-51.5	0	0	0	112.5	N46 K52	N46-N50 CarbonylContact O-C 3.42Å; N46-N50 PolarHBondContact O-N 3.37Å; N46-N50 VanDerWaalsContact O-N 3.14Å; N50-K52 PolarHBondContact O-N 3.35Å
51	P	60.6	Low	64.4	Low	34 Å²	34	94 Å²	94	22%	0.221	52%	0.522	C	S	.	.			trans	-70.9	76	172.3	30.4	-33.7	0	0	0	110.4	L49 V53	L49-P51 WeakPolarHBondContact O-CD 3.37Å; P51-V53 VanDerWaalsContact C-N 3.28Å; P51-V53 PolarHBondContact O-N 3.46Å
52	K	55.7	Low	62.8	Low	196 Å²	196	95 Å²	95	85%	0.852	52%	0.524	S	S	*	.			trans	-72.7	87.1	169.9	-77.6	-177.6	176.4	178.4	0	108.5	N50 L54	N50-K52 PolarHBondContact O-N 3.35Å; K52-L54 PolarHBondContact O-N 2.84Å
53	V	53.7	Low	61.2	Low	48 Å²	48	90.2 Å²	90.2	29%	0.291	50%	0.504	S	S	.	.			trans	-79.7	103.9	163	-83.9	0	0	0	0	107.7	P51 R76	P51-V53 VanDerWaalsContact C-N 3.28Å; P51-V53 PolarHBondContact O-N 3.46Å; V53-R76 PolarHBondContact O-NH2 3.06Å
54	L	46.9	Very low	59.8	Low	110 Å²	110	92.3 Å²	92.3	58%	0.576	51%	0.513	S	S	*	.	S	Bend	trans	59.4	156.6	164.9	-60.8	173.1	0	0	0	116.8	K52 G56	K52-L54 PolarHBondContact O-N 2.84Å; L54-G56 PolarHBondContact O-N 2.78Å; L54-G56 VanDerWaalsContact O-N 3.1Å
55	P	48	Very low	58.7	Low	131 Å²	131	91.6 Å²	91.6	85%	0.851	51%	0.508	S	S	*	.	S	Bend	trans	-74.9	106.1	-173.3	16.5	-8	0	0	0	110.4
56	G	43.4	Very low	57.9	Low	44 Å²	44	95.9 Å²	95.9	45%	0.454	52%	0.524	S	S	.	.	S	Bend	trans	136.8	96.1	172.4	0	0	0	0	0	112.1	L54	L54-G56 PolarHBondContact O-N 2.78Å; L54-G56 VanDerWaalsContact O-N 3.1Å
57	G	41.6	Very low	57.3	Low	47 Å²	47	92.2 Å²	92.2	49%	0.485	51%	0.505	S	S	.	.			trans	105.2	113	164.1	0	0	0	0	0	115.3	A59	G57-A59 PolarHBondContact O-N 3.45Å
58	D	46.9	Very low	56.8	Low	112 Å²	112	94.4 Å²	94.4	60%	0.599	53%	0.534	S	S	*	.			trans	-38.6	130.2	166	-177.4	17.7	0	0	0	111.7	K60 N61	D58-K60 PolarHBondContact O-N 3.46Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 VanDerWaalsContact O-N 3.17Å; D58-N61 VanDerWaalsContact O-O 3.12Å
59	A	53.2	Low	56.8	Low	62 Å²	62	94.9 Å²	94.9	51%	0.512	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.2	-177.5	0	0	0	0	0	113.4	G57	G57-A59 PolarHBondContact O-N 3.45Å
60	K	51.8	Low	57.2	Low	183 Å²	183	92.4 Å²	92.4	80%	0.796	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-27.2	179.2	-72.8	-172.7	174.6	179.4	0	114.8	D58	D58-K60 PolarHBondContact O-N 3.46Å
61	N	47.5	Very low	57.8	Low	125 Å²	125	90.2 Å²	90.2	67%	0.668	54%	0.535	S	S	*	.	S	Bend	trans	-111.3	147.2	179	-85	-3.2	0	0	0	110.1	D58 A63	D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 VanDerWaalsContact O-N 3.17Å; D58-N61 VanDerWaalsContact O-O 3.12Å; N61-A63 PolarHBondContact O-N 3.38Å
62	E	54.4	Low	58.6	Low	138 Å²	138	95.1 Å²	95.1	65%	0.645	56%	0.555	S	S	*	*			trans	-61.1	72.2	-178.3	-45.6	-173.5	158.6	0	0	110.6	L64 N77	E62-L64 PolarHBondContact O-N 3.22Å; E62-N77 WeakPolarHBondContact CG-ND2 3.49Å; E62-N77 PolarHBondContact OE1-ND2 2.63Å
63	A	56.3	Low	59.2	Low	15 Å²	15	92.2 Å²	92.2	12%	0.124	55%	0.546	C	S	.	.			trans	-71.7	121.9	-175.1	0	0	0	0	0	108.6	N61 D65 R76	N61-A63 PolarHBondContact O-N 3.38Å; A63-D65 PolarHBondContact O-N 3.5Å; A63-R76 WeakPolarHBondContact O-CB 3.26Å
64	L	57.7	Low	59.8	Low	112 Å²	112	91 Å²	91	59%	0.586	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	120.7	158.9	-77.6	153.8	0	0	0	107.4	E62	E62-L64 PolarHBondContact O-N 3.22Å
65	D	63.9	Low	60.6	Low	17 Å²	17	87.9 Å²	87.9	9%	0.091	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152	-178.4	-129.5	-34.9	0	0	0	108.6	A63 A74 R76	A63-D65 PolarHBondContact O-N 3.5Å; D65-A74 PolarHBondContact N-O 3.42Å; D65-A74 PolarHBondContact O-N 3.25Å; D65-R76 IonicContact OD2-CZ 3.46Å; D65-R76 IonicContact OD2-NE 3.03Å; D65-R76 PolarHBondContact OD2-NE 3.02Å; D65-R76 IonicContact OD2-NH2 2.63Å; D65-R76 PolarHBondContact OD2-NH2 2.9Å
66	I	67.9	Low	61.3	Low	110 Å²	110	83.6 Å²	83.6	56%	0.564	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.3	176.6	-57.3	174.9	0	0	0	107.7	G68 M73	I66-G68 PolarHBondContact O-N 3Å; I66-G68 VanDerWaalsContact O-N 3.11Å; I66-M73 HydrophobicContact CG1-CG 4.31Å
67	N	66.4	Low	62	Low	25 Å²	25	86.2 Å²	86.2	13%	0.134	50%	0.495	C	S	.	.			trans	-70.1	109.6	173.3	-177.9	-5.4	0	0	0	109.2	I69 T70 G71 E72	N67-I69 PolarHBondContact O-N 3.45Å; N67-I69 PolarHBondContact OD1-N 2.82Å; N67-T70 WeakPolarHBondContact CB-OG1 3.49Å; N67-T70 PolarHBondContact ND2-OG1 2.77Å; N67-T70 VanDerWaalsContact ND2-OG1 3.13Å; N67-T70 PolarHBondContact O-N 3.17Å; N67-G71 WeakPolarHBondContact O-CA 3.27Å; N67-G71 PolarHBondContact O-N 3.41Å; N67-E72 PolarHBondContact N-O 3.3Å
68	G	68.2	Low	62.8	Low	78 Å²	78	92.8 Å²	92.8	80%	0.804	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-12.9	-179	0	0	0	0	0	115.3	I66	I66-G68 PolarHBondContact O-N 3Å; I66-G68 VanDerWaalsContact O-N 3.11Å
69	I	74.5	Confident	63.1	Low	159 Å²	159	90.1 Å²	90.1	82%	0.815	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-40.4	177.4	-57.6	175.2	0	0	0	111.5	N67	N67-I69 PolarHBondContact O-N 3.45Å; N67-I69 PolarHBondContact OD1-N 2.82Å
70	T	78.2	Confident	63	Low	88 Å²	88	92.8 Å²	92.8	54%	0.54	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-15.3	-174.8	62.6	0	0	0	0	113.7	N67 E72	N67-T70 WeakPolarHBondContact CB-OG1 3.49Å; N67-T70 PolarHBondContact ND2-OG1 2.77Å; N67-T70 VanDerWaalsContact ND2-OG1 3.13Å; N67-T70 PolarHBondContact O-N 3.17Å; T70-E72 PolarHBondContact O-N 3.14Å; T70-E72 PolarHBondContact OG1-N 2.87Å
71	G	77.7	Confident	63	Low	61 Å²	61	88.4 Å²	88.4	63%	0.629	49%	0.485	S	S	*	.			trans	70.4	6.6	-174.4	0	0	0	0	0	114.2	N67	N67-G71 WeakPolarHBondContact O-CA 3.27Å; N67-G71 PolarHBondContact O-N 3.41Å
72	E	76.9	Confident	63.4	Low	136 Å²	136	90.6 Å²	90.6	64%	0.636	48%	0.484	S	S	*	.			trans	-94.4	143.4	-178.3	-164.7	-176	169.1	0	0	111.3	N67 T70 A74	N67-E72 PolarHBondContact N-O 3.3Å; T70-E72 PolarHBondContact O-N 3.14Å; T70-E72 PolarHBondContact OG1-N 2.87Å; E72-A74 PolarHBondContact O-N 3.47Å
73	M	68.6	Low	63.4	Low	136 Å²	136	89.7 Å²	89.7	67%	0.67	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.5	169.7	-86.9	-171.8	-88	0	0	109.7	I66	I66-M73 HydrophobicContact CG1-CG 4.31Å
74	A	65.7	Low	63.3	Low	22 Å²	22	92.7 Å²	92.7	18%	0.182	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	-179.2	0	0	0	0	0	110.2	D65 E72 R76 L79	D65-A74 PolarHBondContact N-O 3.42Å; D65-A74 PolarHBondContact O-N 3.25Å; E72-A74 PolarHBondContact O-N 3.47Å; A74-R76 PolarHBondContact O-N 2.85Å; A74-L79 HydrophobicContact CB-CD1 3.28Å; A74-L79 HydrophobicContact CB-CG 4.08Å
75	N	63.2	Low	63.8	Low	44 Å²	44	92.3 Å²	92.3	24%	0.235	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.2	175.2	-175.1	-40.5	0	0	0	109.2	N77 K78 L79	N75-N77 PolarHBondContact O-N 3.39Å; N75-N77 VanDerWaalsContact O-N 3.12Å; N75-N77 WeakPolarHBondContact OD1-CB 3.2Å; N75-N77 PolarHBondContact OD1-N 3.46Å; N75-K78 HydrophobicContact CB-CB 4.38Å; N75-K78 HydrophobicContact CB-CD 4.3Å; N75-K78 HydrophobicContact CB-CG 4.23Å; N75-K78 PolarHBondContact O-N 2.88Å; N75-L79 PolarHBondContact O-N 2.96Å; N75-L79 VanDerWaalsContact O-N 3.09Å
76	R	62.7	Low	64.2	Low	41 Å²	41	96.9 Å²	96.9	16%	0.155	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.8	179.9	-175.3	-173.7	-69.2	165.6	-2.3	113.4	V53 A63 D65 A74	V53-R76 PolarHBondContact O-NH2 3.06Å; A63-R76 WeakPolarHBondContact O-CB 3.26Å; D65-R76 IonicContact OD2-CZ 3.46Å; D65-R76 IonicContact OD2-NE 3.03Å; D65-R76 PolarHBondContact OD2-NE 3.02Å; D65-R76 IonicContact OD2-NH2 2.63Å; D65-R76 PolarHBondContact OD2-NH2 2.9Å; A74-R76 PolarHBondContact O-N 2.85Å
77	N	58.1	Low	64.7	Low	100 Å²	100	95.1 Å²	95.1	54%	0.535	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.4	178.5	-69.2	-14.7	0	0	0	112.8	E62 N75	E62-N77 WeakPolarHBondContact CG-ND2 3.49Å; E62-N77 PolarHBondContact OE1-ND2 2.63Å; N75-N77 PolarHBondContact O-N 3.39Å; N75-N77 VanDerWaalsContact O-N 3.12Å; N75-N77 WeakPolarHBondContact OD1-CB 3.2Å; N75-N77 PolarHBondContact OD1-N 3.46Å
78	K	59	Low	65.2	Low	185 Å²	185	97.2 Å²	97.2	80%	0.804	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-34.4	177.7	-69.1	-174.4	179.3	179.8	0	111.9	N75 N80	N75-K78 HydrophobicContact CB-CB 4.38Å; N75-K78 HydrophobicContact CB-CD 4.3Å; N75-K78 HydrophobicContact CB-CG 4.23Å; N75-K78 PolarHBondContact O-N 2.88Å; K78-N80 PolarHBondContact O-N 3.28Å
79	L	52.7	Low	65.8	Low	55 Å²	55	95.5 Å²	95.5	29%	0.288	50%	0.502	S	S	.	.	S	Bend	trans	-72.6	123.3	167.4	-81.6	162.7	0	0	0	108	A74 N75 M81	A74-L79 HydrophobicContact CB-CD1 3.28Å; A74-L79 HydrophobicContact CB-CG 4.08Å; N75-L79 PolarHBondContact O-N 2.96Å; N75-L79 VanDerWaalsContact O-N 3.09Å; L79-M81 HydrophobicContact CB-CB 4.06Å; L79-M81 PolarHBondContact O-N 3.24Å
80	N	50.7	Low	66.1	Low	118 Å²	118	92.6 Å²	92.6	63%	0.631	49%	0.485	S	S	*	.			trans	-70	36	167.5	-164.9	28.6	0	0	0	111.5	K78 R82 N83	K78-N80 PolarHBondContact O-N 3.28Å; N80-R82 PolarHBondContact O-N 3.37Å; N80-N83 PolarHBondContact O-OD1 2.76Å
81	M	52.7	Low	66.5	Low	91 Å²	91	90.9 Å²	90.9	45%	0.448	47%	0.474	S	S	.	.			trans	-74.4	46.6	173.3	-156.3	-169.5	-96.6	0	0	109.8	L79 N83	L79-M81 HydrophobicContact CB-CB 4.06Å; L79-M81 PolarHBondContact O-N 3.24Å; M81-N83 PolarHBondContact O-N 2.06Å
82	R	56.4	Low	66.8	Low	172 Å²	172	89.4 Å²	89.4	65%	0.649	45%	0.451	S	S	*	.			trans	-73.9	2.7	154.2	-77.2	-176.3	158.4	92.3	0.5	111.1	N80 L84 L85	N80-R82 PolarHBondContact O-N 3.37Å; R82-L84 PolarHBondContact O-N 3.14Å; R82-L85 HydrophobicContact CB-CD1 4.03Å; R82-L85 HydrophobicContact CB-CG 4.35Å; R82-L85 VanDerWaalsContact O-CG 3.3Å; R82-L85 WeakPolarHBondContact O-CG 3.11Å; R82-L85 PolarHBondContact O-N 2.98Å
83	N	53	Low	67.3	Low	118 Å²	118	88.7 Å²	88.7	63%	0.631	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-12.2	-167.7	-73.7	-11.1	0	0	0	116.1	N80 M81 L85	N80-N83 PolarHBondContact O-OD1 2.76Å; M81-N83 PolarHBondContact O-N 2.06Å; N83-L85 PolarHBondContact O-N 3.42Å
84	L	56.2	Low	68.2	Low	79 Å²	79	85.3 Å²	85.3	41%	0.414	43%	0.433	S	S	.	.	H	α-helix	trans	-76	-2.2	166.2	-146.7	76.6	0	0	0	113	R82 T86 V87 R88	R82-L84 PolarHBondContact O-N 3.14Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 2.8Å; L84-V87 HydrophobicContact CD1-CB 3.49Å; L84-V87 VanDerWaalsContact CD1-CB 3.49Å; L84-V87 HydrophobicContact CD1-CG1 3.57Å; L84-V87 HydrophobicContact CD1-CG2 4.01Å; L84-V87 HydrophobicContact CG-CB 3.84Å; L84-V87 HydrophobicContact CG-CG1 4.15Å; L84-V87 CarbonylContact O-C 3.59Å; L84-V87 PolarHBondContact O-N 3.34Å; L84-R88 HydrophobicContact CB-CG 4.34Å; L84-R88 HydrophobicContact CD2-CG 3.84Å; L84-R88 HydrophobicContact CG-CG 3.95Å; L84-R88 WeakPolarHBondContact O-CA 3.3Å; L84-R88 WeakPolarHBondContact O-CB 3.44Å; L84-R88 WeakPolarHBondContact O-CG 3.17Å; L84-R88 PolarHBondContact O-N 3.35Å
85	L	67	Low	69.3	Low	103 Å²	103	84.7 Å²	84.7	54%	0.539	43%	0.428	S	S	.	.	H	α-helix	trans	-60.4	-45	176.7	-73.6	177.2	0	0	0	111.3	R82 N83 A89	R82-L85 HydrophobicContact CB-CD1 4.03Å; R82-L85 HydrophobicContact CB-CG 4.35Å; R82-L85 VanDerWaalsContact O-CG 3.3Å; R82-L85 WeakPolarHBondContact O-CG 3.11Å; R82-L85 PolarHBondContact O-N 2.98Å; N83-L85 PolarHBondContact O-N 3.42Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 2.87Å
86	T	72.4	Confident	70.4	Confident	113 Å²	113	86.9 Å²	86.9	69%	0.693	44%	0.439	S	S	*	.	H	α-helix	trans	-66.2	-42.6	175.9	-49.3	0	0	0	0	111.3	L84 A89 Q90	L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 2.8Å; T86-A89 PolarHBondContact O-N 3.1Å; T86-Q90 WeakPolarHBondContact O-CB 3.5Å; T86-Q90 PolarHBondContact O-N 2.93Å
87	V	77.7	Confident	71.4	Confident	73 Å²	73	89.8 Å²	89.8	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-69.7	-37.9	179.2	178.5	0	0	0	0	111.5	L84 Q90 V91	L84-V87 HydrophobicContact CD1-CB 3.49Å; L84-V87 VanDerWaalsContact CD1-CB 3.49Å; L84-V87 HydrophobicContact CD1-CG1 3.57Å; L84-V87 HydrophobicContact CD1-CG2 4.01Å; L84-V87 HydrophobicContact CG-CB 3.84Å; L84-V87 HydrophobicContact CG-CG1 4.15Å; L84-V87 CarbonylContact O-C 3.59Å; L84-V87 PolarHBondContact O-N 3.34Å; V87-Q90 CarbonylContact O-C 3.49Å; V87-Q90 WeakPolarHBondContact O-CA 3.47Å; V87-Q90 WeakPolarHBondContact O-CB 3.47Å; V87-Q90 PolarHBondContact O-N 3.38Å; V87-Q90 VanDerWaalsContact O-N 3.14Å; V87-V91 HydrophobicContact CG1-CG2 4.39Å; V87-V91 VanDerWaalsContact O-CG2 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.09Å; V87-V91 PolarHBondContact O-N 3.14Å
88	R	78.2	Confident	72.6	Confident	70 Å²	70	88.3 Å²	88.3	26%	0.264	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-47.7	173.5	-77.3	179.5	-171.6	171	10	109.9	V47 L84 Q90 V91 H92	V47-R88 HydrophobicContact CG1-CB 4.34Å; V47-R88 HydrophobicContact CG1-CG 3.83Å; L84-R88 HydrophobicContact CB-CG 4.34Å; L84-R88 HydrophobicContact CD2-CG 3.84Å; L84-R88 HydrophobicContact CG-CG 3.95Å; L84-R88 WeakPolarHBondContact O-CA 3.3Å; L84-R88 WeakPolarHBondContact O-CB 3.44Å; L84-R88 WeakPolarHBondContact O-CG 3.17Å; L84-R88 PolarHBondContact O-N 3.35Å; R88-Q90 PolarHBondContact O-N 2.75Å; R88-V91 PolarHBondContact O-N 2.88Å; R88-V91 VanDerWaalsContact O-N 3.17Å; R88-H92 PolarHBondContact O-CD2 3Å; R88-H92 PolarHBondContact O-N 3.43Å
89	A	80.5	Confident	73.7	Confident	41 Å²	41	79.9 Å²	79.9	34%	0.339	41%	0.413	S	S	.	.	H	α-helix	trans	-56.6	-39	173.4	0	0	0	0	0	110.9	L85 T86 H92 K93	L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 2.87Å; T86-A89 PolarHBondContact O-N 3.1Å; A89-H92 PolarHBondContact O-N 2.66Å; A89-K93 WeakPolarHBondContact O-CB 3.21Å; A89-K93 VanDerWaalsContact O-CG 3.24Å; A89-K93 WeakPolarHBondContact O-CG 3.39Å; A89-K93 PolarHBondContact O-N 2.66Å
90	Q	81.4	Confident	75.1	Confident	98 Å²	98	80.2 Å²	80.2	46%	0.458	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-44.9	175.7	-171.9	56.9	43.2	0	0	112.5	T86 V87 R88 H92 K93 T94	T86-Q90 WeakPolarHBondContact O-CB 3.5Å; T86-Q90 PolarHBondContact O-N 2.93Å; V87-Q90 CarbonylContact O-C 3.49Å; V87-Q90 WeakPolarHBondContact O-CA 3.47Å; V87-Q90 WeakPolarHBondContact O-CB 3.47Å; V87-Q90 PolarHBondContact O-N 3.38Å; V87-Q90 VanDerWaalsContact O-N 3.14Å; R88-Q90 PolarHBondContact O-N 2.75Å; Q90-H92 VanDerWaalsContact C-N 3.29Å; Q90-H92 PolarHBondContact O-N 3Å; Q90-K93 PolarHBondContact O-N 2.84Å; Q90-T94 PolarHBondContact NE2-OG1 2.91Å; Q90-T94 WeakPolarHBondContact O-CB 3.11Å; Q90-T94 PolarHBondContact O-N 3.48Å; Q90-T94 PolarHBondContact O-OG1 3.29Å
91	V	85.6	Confident	76.2	Confident	52 Å²	52	80.6 Å²	80.6	32%	0.315	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-39.5	176.7	173.6	0	0	0	0	110.5	V43 V47 V87 R88 A95	V43-V91 HydrophobicContact CG1-CG1 3.94Å; V47-V91 HydrophobicContact CG2-CG1 3.83Å; V87-V91 HydrophobicContact CG1-CG2 4.39Å; V87-V91 VanDerWaalsContact O-CG2 3.3Å; V87-V91 WeakPolarHBondContact O-CG2 3.09Å; V87-V91 PolarHBondContact O-N 3.14Å; R88-V91 PolarHBondContact O-N 2.88Å; R88-V91 VanDerWaalsContact O-N 3.17Å; V91-A95 WeakPolarHBondContact O-CB 3.44Å; V91-A95 PolarHBondContact O-N 2.9Å
92	H	84.8	Confident	77.1	Confident	30 Å²	30	78.8 Å²	78.8	14%	0.139	41%	0.406	C	S	.	.	H	α-helix	trans	-64	-46.7	174.2	-74.6	-52.6	0	0	0	112.6	V44 F48 R88 A89 Q90 A95 I96	V44-H92 WeakPolarHBondContact CG2-ND1 3.49Å; F48-H92 AromaticContact CD2-CE1 3.33Å; F48-H92 WeakPolarHBondContact CD2-CE1 3.29Å; F48-H92 AromaticContact CD2-NE2 3.28Å; F48-H92 VanDerWaalsContact CD2-NE2 3.28Å; F48-H92 WeakPolarHBondContact CD2-NE2 3.31Å; F48-H92 AromaticContact CE2-CD2 3.92Å; F48-H92 AromaticContact CE2-CE1 3.55Å; F48-H92 AromaticContact CE2-NE2 3.18Å; F48-H92 WeakPolarHBondContact CE2-NE2 3.34Å; R88-H92 PolarHBondContact O-CD2 3Å; R88-H92 PolarHBondContact O-N 3.43Å; A89-H92 PolarHBondContact O-N 2.66Å; Q90-H92 VanDerWaalsContact C-N 3.29Å; Q90-H92 PolarHBondContact O-N 3Å; H92-A95 PolarHBondContact O-N 2.78Å; H92-I96 WeakPolarHBondContact O-CB 3.18Å; H92-I96 WeakPolarHBondContact O-CG1 3.14Å; H92-I96 PolarHBondContact O-N 3.1Å
93	K	86.3	Confident	77.8	Confident	121 Å²	121	72.7 Å²	72.7	53%	0.526	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-51.1	177.2	-73.9	170.6	-175.6	-178.9	0	110.4	A89 Q90 A95 I96 E97	A89-K93 WeakPolarHBondContact O-CB 3.21Å; A89-K93 VanDerWaalsContact O-CG 3.24Å; A89-K93 WeakPolarHBondContact O-CG 3.39Å; A89-K93 PolarHBondContact O-N 2.66Å; Q90-K93 PolarHBondContact O-N 2.84Å; K93-A95 PolarHBondContact O-N 3.16Å; K93-I96 PolarHBondContact O-N 3.29Å; K93-E97 VanDerWaalsContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CB 3.44Å; K93-E97 WeakPolarHBondContact O-CG 3.17Å; K93-E97 PolarHBondContact O-N 2.77Å
94	T	87.9	Confident	78.7	Confident	65 Å²	65	76.3 Å²	76.3	40%	0.399	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-39.7	-179.1	-59.3	0	0	0	0	112.3	Q90 I96 E97 T98	Q90-T94 PolarHBondContact NE2-OG1 2.91Å; Q90-T94 WeakPolarHBondContact O-CB 3.11Å; Q90-T94 PolarHBondContact O-N 3.48Å; Q90-T94 PolarHBondContact O-OG1 3.29Å; T94-I96 VanDerWaalsContact C-N 3.34Å; T94-I96 PolarHBondContact O-N 3.25Å; T94-E97 PolarHBondContact O-N 2.71Å; T94-T98 PolarHBondContact O-N 3.47Å
95	A	89.2	Confident	79.3	Confident	10 Å²	10	77.8 Å²	77.8	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-67.5	-31	177.8	0	0	0	0	0	113.2	A40 V43 V44 V91 H92 K93 T98 P99	A40-A95 WeakPolarHBondContact CB-O 3.28Å; V43-A95 HydrophobicContact CB-CB 4.36Å; V43-A95 HydrophobicContact CG1-CB 4.04Å; V44-A95 HydrophobicContact CG2-CB 4Å; V91-A95 WeakPolarHBondContact O-CB 3.44Å; V91-A95 PolarHBondContact O-N 2.9Å; H92-A95 PolarHBondContact O-N 2.78Å; K93-A95 PolarHBondContact O-N 3.16Å; A95-T98 PolarHBondContact O-OG1 3.03Å; A95-P99 WeakPolarHBondContact O-CD 3.24Å
96	I	85.2	Confident	79.3	Confident	89 Å²	89	74.9 Å²	74.9	46%	0.456	39%	0.388	S	S	.	.	H	α-helix	trans	-84.9	-29.8	176	-66.2	170.4	0	0	0	111.1	H92 K93 T94 T98 P99 I100	H92-I96 WeakPolarHBondContact O-CB 3.18Å; H92-I96 WeakPolarHBondContact O-CG1 3.14Å; H92-I96 PolarHBondContact O-N 3.1Å; K93-I96 PolarHBondContact O-N 3.29Å; T94-I96 VanDerWaalsContact C-N 3.34Å; T94-I96 PolarHBondContact O-N 3.25Å; I96-T98 VanDerWaalsContact C-N 3.26Å; I96-T98 PolarHBondContact O-N 2.72Å; I96-P99 VanDerWaalsContact O-CD 3.23Å; I96-P99 WeakPolarHBondContact O-CD 3.44Å; I96-P99 WeakPolarHBondContact O-CG 3.47Å; I96-I100 HydrophobicContact CG2-CD1 3.66Å; I96-I100 HydrophobicContact CG2-CG1 4.35Å; I96-I100 WeakPolarHBondContact O-CB 3.33Å; I96-I100 WeakPolarHBondContact O-CD1 3.13Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.4Å
97	E	84	Confident	79	Confident	102 Å²	102	75 Å²	75	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-32.9	175	-80.9	168.2	173.6	0	0	112.4	K93 T94 I100 M101	K93-E97 VanDerWaalsContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CB 3.44Å; K93-E97 WeakPolarHBondContact O-CG 3.17Å; K93-E97 PolarHBondContact O-N 2.77Å; T94-E97 PolarHBondContact O-N 2.71Å; E97-I100 PolarHBondContact O-N 3.44Å; E97-M101 WeakPolarHBondContact O-CG 3Å; E97-M101 PolarHBondContact O-N 3.31Å
98	T	84.4	Confident	78.7	Confident	70 Å²	70	71.9 Å²	71.9	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-53.8	179.4	46.8	0	0	0	0	113.7	T94 A95 I96 I100 M101	T94-T98 PolarHBondContact O-N 3.47Å; A95-T98 PolarHBondContact O-OG1 3.03Å; I96-T98 VanDerWaalsContact C-N 3.26Å; I96-T98 PolarHBondContact O-N 2.72Å; T98-I100 VanDerWaalsContact C-N 3.31Å; T98-I100 PolarHBondContact O-N 3.41Å; T98-M101 PolarHBondContact O-N 2.77Å
99	P	80.8	Confident	78.2	Confident	8 Å²	8	72.6 Å²	72.6	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-68	-31.1	174.2	26.7	-35	0	0	0	112.1	N36 L37 A40 A95 I96 M101 L102 L103	N36-P99 HydrophobicContact CB-CB 4.48Å; L37-P99 HydrophobicContact CD2-CB 3.81Å; L37-P99 HydrophobicContact CD2-CG 4.13Å; L37-P99 HydrophobicContact CG-CB 4.2Å; A40-P99 HydrophobicContact CB-CG 3.86Å; A95-P99 WeakPolarHBondContact O-CD 3.24Å; I96-P99 VanDerWaalsContact O-CD 3.23Å; I96-P99 WeakPolarHBondContact O-CD 3.44Å; I96-P99 WeakPolarHBondContact O-CG 3.47Å; P99-M101 PolarHBondContact O-N 2.78Å; P99-L102 PolarHBondContact O-N 3.11Å; P99-L102 VanDerWaalsContact O-N 3.14Å; P99-L103 VanDerWaalsContact O-CG 3.3Å; P99-L103 WeakPolarHBondContact O-CG 3.36Å; P99-L103 PolarHBondContact O-N 3.24Å
100	I	82	Confident	78	Confident	61 Å²	61	74.6 Å²	74.6	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-35.6	174.4	-74.4	172.8	0	0	0	111.5	I96 E97 T98 L102 L103 R104	I96-I100 HydrophobicContact CG2-CD1 3.66Å; I96-I100 HydrophobicContact CG2-CG1 4.35Å; I96-I100 WeakPolarHBondContact O-CB 3.33Å; I96-I100 WeakPolarHBondContact O-CD1 3.13Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.4Å; E97-I100 PolarHBondContact O-N 3.44Å; T98-I100 VanDerWaalsContact C-N 3.31Å; T98-I100 PolarHBondContact O-N 3.41Å; I100-L102 VanDerWaalsContact C-N 3.32Å; I100-L102 PolarHBondContact O-N 2.98Å; I100-L103 PolarHBondContact O-N 3.04Å; I100-R104 HydrophobicContact CG2-CG 4.45Å; I100-R104 VanDerWaalsContact O-CG 3.28Å; I100-R104 WeakPolarHBondContact O-CG 3.42Å; I100-R104 PolarHBondContact O-N 3.07Å
101	M	75.1	Confident	77.8	Confident	127 Å²	127	70.5 Å²	70.5	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-62.5	-39.2	175.9	-76.7	-163.9	60.3	0	0	112.5	E97 T98 P99 R104 V105	E97-M101 WeakPolarHBondContact O-CG 3Å; E97-M101 PolarHBondContact O-N 3.31Å; T98-M101 PolarHBondContact O-N 2.77Å; P99-M101 PolarHBondContact O-N 2.78Å; M101-R104 WeakPolarHBondContact O-CB 3.31Å; M101-R104 PolarHBondContact O-N 3Å; M101-V105 PolarHBondContact O-N 3.23Å
102	L	70.5	Confident	77.4	Confident	53 Å²	53	73 Å²	73	28%	0.277	36%	0.359	S	S	.	.	H	α-helix	trans	-69	-43.4	174	-72.9	162.3	0	0	0	111.5	N36 P99 I100 R104 V105 D106	N36-L102 HydrophobicContact CB-CD1 3.61Å; N36-L102 WeakPolarHBondContact ND2-CD1 3.35Å; P99-L102 PolarHBondContact O-N 3.11Å; P99-L102 VanDerWaalsContact O-N 3.14Å; I100-L102 VanDerWaalsContact C-N 3.32Å; I100-L102 PolarHBondContact O-N 2.98Å; L102-R104 PolarHBondContact O-N 3.13Å; L102-R104 VanDerWaalsContact O-N 3.1Å; L102-V105 PolarHBondContact O-N 2.8Å; L102-D106 WeakPolarHBondContact O-CB 3.4Å; L102-D106 PolarHBondContact O-N 3.02Å
103	L	72.1	Confident	77.1	Confident	44 Å²	44	72.5 Å²	72.5	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-22.5	174.4	-65.9	169.1	0	0	0	113.5	L20 M33 P99 I100 D106 V108	L20-L103 HydrophobicContact CD1-CD1 4.29Å; L20-L103 HydrophobicContact CD1-CD2 3.95Å; M33-L103 HydrophobicContact CE-CD2 3.31Å; P99-L103 VanDerWaalsContact O-CG 3.3Å; P99-L103 WeakPolarHBondContact O-CG 3.36Å; P99-L103 PolarHBondContact O-N 3.24Å; I100-L103 PolarHBondContact O-N 3.04Å; L103-D106 CarbonylContact C-O 3.54Å; L103-V108 HydrophobicContact CD2-CB 4.35Å; L103-V108 HydrophobicContact CD2-CG2 3.36Å
104	R	70.8	Confident	76.5	Confident	193 Å²	193	75.7 Å²	75.7	73%	0.728	37%	0.367	S	S	*	.	H	α-helix	trans	-77.1	-34.2	173.9	-74.5	171.4	-174.1	-166.9	4.3	112.6	I100 M101 L102	I100-R104 HydrophobicContact CG2-CG 4.45Å; I100-R104 VanDerWaalsContact O-CG 3.28Å; I100-R104 WeakPolarHBondContact O-CG 3.42Å; I100-R104 PolarHBondContact O-N 3.07Å; M101-R104 WeakPolarHBondContact O-CB 3.31Å; M101-R104 PolarHBondContact O-N 3Å; L102-R104 PolarHBondContact O-N 3.13Å; L102-R104 VanDerWaalsContact O-N 3.1Å
105	V	70.4	Confident	75.7	Confident	111 Å²	111	79.6 Å²	79.6	67%	0.673	38%	0.375	S	S	*	.	H	α-helix	trans	-79.7	-48.6	177.2	-179.6	0	0	0	0	109.4	M101 L102 K107	M101-V105 PolarHBondContact O-N 3.23Å; L102-V105 PolarHBondContact O-N 2.8Å; V105-K107 PolarHBondContact O-N 3.07Å
106	D	65.8	Low	74.6	Confident	42 Å²	42	87.9 Å²	87.9	23%	0.225	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	101.5	-178.5	-63.1	-43.5	0	0	0	109.9	I29 L102 L103 V108	I29-D106 HydrophobicContact CG2-CB 4.15Å; L102-D106 WeakPolarHBondContact O-CB 3.4Å; L102-D106 PolarHBondContact O-N 3.02Å; L103-D106 CarbonylContact C-O 3.54Å; D106-V108 PolarHBondContact O-N 3.17Å
107	K	67.1	Low	73.2	Confident	116 Å²	116	94.1 Å²	94.1	50%	0.504	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	93.2	-173	-65.2	154.8	169.2	-175.2	0	113.2	R23 V105	R23-K107 PolarHBondContact N-O 2.86Å; V105-K107 PolarHBondContact O-N 3.07Å
108	V	71	Confident	71.7	Confident	7 Å²	7	94.3 Å²	94.3	4%	0.042	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.9	169.7	177.1	0	0	0	0	112	T7 L20 P22 M33 L103 D106	T7-V108 PolarHBondContact OG1-O 2.97Å; L20-V108 HydrophobicContact CB-CG1 4.38Å; P22-V108 HydrophobicContact CB-CG2 4.47Å; M33-V108 HydrophobicContact CE-CG2 3.82Å; L103-V108 HydrophobicContact CD2-CB 4.35Å; L103-V108 HydrophobicContact CD2-CG2 3.36Å; D106-V108 PolarHBondContact O-N 3.17Å
109	L	67.9	Low	70.2	Confident	84 Å²	84	99 Å²	99	44%	0.44	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-50.2	-179.8	-75.5	-176.3	0	0	0	113.4	S21 R23	S21-L109 PolarHBondContact O-N 2.71Å; R23-L109 HydrophobicContact CB-CD1 4.41Å; R23-L109 HydrophobicContact CB-CG 4.27Å; R23-L109 HydrophobicContact CG-CD1 3.44Å; R23-L109 VanDerWaalsContact CG-CD1 3.44Å; R23-L109 HydrophobicContact CG-CD2 3.3Å; R23-L109 HydrophobicContact CG-CG 3.17Å
110	K	75.1	Confident	69	Low	84 Å²	84	105.2 Å²	105.2	37%	0.365	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.5	-162	-169.1	-175.7	-177.4	-163.3	0	109.6	S21 E112	S21-K110 PolarHBondContact N-O 3.28Å; S21-K110 PolarHBondContact O-N 3.43Å; K110-E112 WeakPolarHBondContact CE-OE2 3.41Å; K110-E112 VanDerWaalsContact NZ-CD 3.35Å; K110-E112 IonicContact NZ-OE1 3.7Å; K110-E112 IonicContact NZ-OE2 2.71Å; K110-E112 PolarHBondContact NZ-OE2 2.94Å
111	V	78.5	Confident	67.2	Low	12 Å²	12	107.5 Å²	107.5	7%	0.073	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.2	166	-174.7	0	0	0	0	107.3	T7 F8 V9 C18 V19 L20	T7-V111 HydrophobicContact CG2-CG2 3.79Å; F8-V111 PolarHBondContact O-N 2.65Å; V9-V111 HydrophobicContact CG2-CB 4.44Å; V9-V111 HydrophobicContact CG2-CG2 4.08Å; C18-V111 HydrophobicContact CB-CG1 4.06Å; V19-V111 WeakPolarHBondContact O-CA 3.5Å; L20-V111 HydrophobicContact CD2-CB 4.05Å; L20-V111 HydrophobicContact CD2-CG1 3.79Å; L20-V111 HydrophobicContact CD2-CG2 3.36Å
112	E	75.7	Confident	66.1	Low	104 Å²	104	108.2 Å²	108.2	49%	0.486	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108	177.3	-169.4	137.7	-156.7	0	0	109.1	V19 K110	V19-E112 PolarHBondContact N-O 2.8Å; V19-E112 PolarHBondContact O-N 3.41Å; K110-E112 WeakPolarHBondContact CE-OE2 3.41Å; K110-E112 VanDerWaalsContact NZ-CD 3.35Å; K110-E112 IonicContact NZ-OE1 3.7Å; K110-E112 IonicContact NZ-OE2 2.71Å; K110-E112 PolarHBondContact NZ-OE2 2.94Å
113	C	78.4	Confident	65.4	Low	19 Å²	19	110 Å²	110	13%	0.128	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.5	176.1	-64.7	0	0	0	0	109.8	D12 A15 A17 C18	D12-C113 HydrophobicContact CB-CB 4.38Å; A15-C113 HydrophobicContact CB-CB 3.61Å; A17-C113 CarbonylContact O-C 3.54Å; A17-C113 VanDerWaalsContact O-CA 3.31Å; A17-C113 WeakPolarHBondContact O-CA 3.2Å; C18-C113 HydrophobicContact CB-CB 4.22Å; C18-C113 WeakPolarHBondContact CB-SG 3.48Å; C18-C113 WeakPolarHBondContact SG-CB 3.3Å; C18-C113 CovalentContact SG-SG 2.06Å; C18-C113 PolarHBondContact SG-SG 3.23Å
114	R	74.3	Confident	64.6	Low	188 Å²	188	118.9 Å²	118.9	71%	0.709	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	-179.6	-133.5	-178.6	-165.3	-170.9	5.3	108.4	E16 A17	E16-R114 PolarHBondContact N-O 3.44Å; A17-R114 PolarHBondContact O-N 3.25Å
115	R	71.5	Confident	64	Low	147 Å²	147	115.9 Å²	115.9	56%	0.555	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.2	162.2	-68.6	-173.1	172.6	97.3	-9.2	109.2	D12 R117	D12-R115 IonicContact OD1-CZ 2.93Å; D12-R115 IonicContact OD1-NE 2.9Å; D12-R115 PolarHBondContact OD1-NE 3.23Å; D12-R115 IonicContact OD1-NH1 3.52Å; D12-R115 IonicContact OD1-NH2 3.17Å; D12-R115 PolarHBondContact OD1-NH2 2.72Å; D12-R115 WeakPolarHBondContact OD2-CD 3.42Å; D12-R115 WeakPolarHBondContact OD2-CG 3.38Å; D12-R115 IonicContact OD2-CZ 3.45Å; D12-R115 IonicContact OD2-NE 3.27Å; D12-R115 PolarHBondContact OD2-NE 2.81Å; D12-R115 IonicContact OD2-NH1 2.67Å; D12-R115 PolarHBondContact OD2-NH1 2.79Å; D12-R115 IonicContact OD2-NH2 3.39Å; D12-R115 PolarHBondContact OD2-NH2 3.42Å; R115-R117 VanDerWaalsContact C-N 3.32Å; R115-R117 PolarHBondContact O-N 2.88Å
116	R	65.6	Low	62.8	Low	185 Å²	185	117.9 Å²	117.9	70%	0.698	55%	0.553	S	S	*	*			trans	-60.6	101.6	160.9	-145.3	-178.8	-158.7	118.7	8.1	105.7	E16 T118	E16-R116 IonicContact OE1-CZ 2.72Å; E16-R116 IonicContact OE1-NH1 2.77Å; E16-R116 PolarHBondContact OE1-NH1 2.93Å; E16-R116 IonicContact OE1-NH2 3.33Å; E16-R116 PolarHBondContact OE1-NH2 3.28Å; E16-R116 VanDerWaalsContact OE2-CB 3.29Å; E16-R116 WeakPolarHBondContact OE2-CB 3.4Å; E16-R116 WeakPolarHBondContact OE2-CD 3.36Å; E16-R116 WeakPolarHBondContact OE2-CG 3.36Å; E16-R116 IonicContact OE2-CZ 2.91Å; E16-R116 VanDerWaalsContact OE2-CZ 3.27Å; E16-R116 IonicContact OE2-NE 3.25Å; E16-R116 PolarHBondContact OE2-NE 2.91Å; E16-R116 IonicContact OE2-NH1 2.78Å; E16-R116 PolarHBondContact OE2-NH1 2.86Å; R116-T118 PolarHBondContact O-N 3.27Å
117	R	56.9	Low	61.9	Low	219 Å²	219	118.5 Å²	118.5	83%	0.826	57%	0.569	S	S	*	*			trans	-59.3	98.8	167.9	-78	-177.2	-176.5	140.5	-0	105.1	R115 L119	R115-R117 VanDerWaalsContact C-N 3.32Å; R115-R117 PolarHBondContact O-N 2.88Å; R117-L119 PolarHBondContact O-N 3.13Å
118	T	51.3	Low	60.9	Low	107 Å²	107	124.8 Å²	124.8	66%	0.656	61%	0.606	S	S	*	*			trans	-50.2	116.5	151.5	40.4	0	0	0	0	103.8	R116 I120	R116-T118 PolarHBondContact O-N 3.27Å; T118-I120 PolarHBondContact O-N 3.5Å
119	L	52.8	Low	60.4	Low	168 Å²	168	130.7 Å²	130.7	88%	0.88	63%	0.634	S	S	*	*			trans	-61.6	75.9	171.8	-82.8	150.7	0	0	0	106.5	R117 N121	R117-L119 PolarHBondContact O-N 3.13Å; L119-N121 PolarHBondContact O-N 3.45Å
120	I	55.7	Low	60	Low	138 Å²	138	133.1 Å²	133.1	71%	0.708	64%	0.644	S	S	*	*			trans	-74.6	83.6	167.5	-56.4	175.6	0	0	0	104.1	T118 L122	T118-I120 PolarHBondContact O-N 3.5Å; I120-L122 PolarHBondContact O-N 2.93Å
121	N	44	Very low	59.1	Low	110 Å²	110	135.8 Å²	135.8	59%	0.588	66%	0.66	S	S	*	*			trans	26.2	73.5	147.5	-75.5	-59	0	0	0	114.9	L119 S123 R124	L119-N121 PolarHBondContact O-N 3.45Å; N121-S123 WeakPolarHBondContact CB-OG 3.4Å; N121-S123 PolarHBondContact O-N 2.9Å; N121-S123 VanDerWaalsContact O-N 3.13Å; N121-S123 PolarHBondContact OD1-OG 3.12Å; N121-R124 PolarHBondContact O-N 3.09Å
122	L	52.1	Low	58	Low	141 Å²	141	143.1 Å²	143.1	74%	0.738	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-61.7	-6.7	157.8	-99.2	151.8	0	0	0	112.2	I120 R124 I125	I120-L122 PolarHBondContact O-N 2.93Å; L122-R124 PolarHBondContact O-N 3.45Å; L122-I125 HydrophobicContact CD2-CD1 4.37Å
123	S	56.2	Low	56.9	Low	91 Å²	91	145.6 Å²	145.6	64%	0.636	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-64.1	-8.6	164.6	47.4	0	0	0	0	113.9	N121	N121-S123 WeakPolarHBondContact CB-OG 3.4Å; N121-S123 PolarHBondContact O-N 2.9Å; N121-S123 VanDerWaalsContact O-N 3.13Å; N121-S123 PolarHBondContact OD1-OG 3.12Å
124	R	54.5	Low	55.5	Low	230 Å²	230	154 Å²	154	87%	0.868	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-99.4	1.9	179.1	-137.4	171.8	-179.5	142.9	-0.5	115.6	N121 L122	N121-R124 PolarHBondContact O-N 3.09Å; L122-R124 PolarHBondContact O-N 3.45Å
125	I	58.1	Low	54.1	Low	131 Å²	131	151.6 Å²	151.6	67%	0.672	75%	0.748	S	S	*	*	S	Bend	trans	-104.7	-11.9	176.7	-64.2	168.5	0	0	0	112.7	L122	L122-I125 HydrophobicContact CD2-CD1 4.37Å
126	N	46.8	Very low	52.8	Low	152 Å²	152	151.9 Å²	151.9	81%	0.813	76%	0.763	S	S	*	*	S	Bend	trans	-127.6	50.5	179.8	-72.9	-44.8	0	0	0	114.6
127	G	46.6	Very low	51.7	Low	55 Å²	55	149.2 Å²	149.2	57%	0.567	77%	0.769	S	S	*	*			trans	-133.1	108.1	154.9	0	0	0	0	0	106.1
128	I	45.6	Very low	51.2	Low	248 Å²	248	142.8 Å²	142.8	100%	1.272	76%	0.763	S	S	*	*				46.9	0	98.5	-52.8	177.9	0	0	0	111.1

Retrieved 128 of 128 residues in 353.3 ms (Link to these results)

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