A0A077ZDW4_TRITR Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZDW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077ZDW4_TRITR|A0A077ZDW4
MQELFGIESVFACYGIDVDYRHLSLLADYMTHTGMYQPFNRSYMYTSTSPLQKMTFETTMAFMKDAILNNSEDILRTPSSGLVVGRLPRIGTGCFDILYPFKSLDHQWVQLYEIFCHENLRTCHKMLKF
					

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	51.6	Low	75.3	Confident	206 Å²	206	94.2 Å²	94.2	100%	1.015	48%	0.481	S	S	*	.				0	-36.4	0	-88.3	-161.3	-87.1	0	0	114.2	E3 L4	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.05Å; M1-L4 PolarHBondContact O-N 3.36Å
2	Q	60.8	Low	76.4	Confident	186 Å²	186	92.2 Å²	92.2	87%	0.869	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-34.8	-178.8	-71.4	175	-22.5	0	0	114.3	F5	Q2-F5 PolarHBondContact O-N 2.8Å
3	E	62.1	Low	77.4	Confident	108 Å²	108	93.9 Å²	93.9	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-37.1	-179.6	-71.1	-91.7	138.8	0	0	113.9	M1 F5 G6 I7 Y36	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.05Å; E3-F5 VanDerWaalsContact C-N 3.29Å; E3-F5 PolarHBondContact O-N 3.28Å; E3-G6 PolarHBondContact O-N 3.04Å; E3-G6 VanDerWaalsContact O-N 3.15Å; E3-I7 PolarHBondContact O-N 3.43Å; E3-Y36 HydrophobicContact CB-CE2 4.48Å; E3-Y36 HydrophobicContact CG-CE2 3.93Å; E3-Y36 WeakPolarHBondContact OE2-CE2 3.15Å; E3-Y36 VanDerWaalsContact OE2-CZ 3.27Å; E3-Y36 PolarHBondContact OE2-OH 3.31Å
4	L	67.2	Low	78.5	Confident	25 Å²	25	100.1 Å²	100.1	13%	0.131	53%	0.526	C	S	.	.	H	α-helix	trans	-58.6	-42.8	177.9	-87.9	158.8	0	0	0	111.6	M1 G6 I7 E8 L23 A27	M1-L4 PolarHBondContact O-N 3.36Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.91Å; L4-I7 PolarHBondContact O-N 3.31Å; L4-E8 PolarHBondContact O-N 2.91Å; L4-L23 VanDerWaalsContact CD2-C 3.47Å; L4-L23 HydrophobicContact CD2-CB 3.63Å; L4-L23 VanDerWaalsContact CD2-O 3.31Å; L4-L23 WeakPolarHBondContact CD2-O 3.35Å; L4-A27 HydrophobicContact CD1-CB 3.56Å; L4-A27 HydrophobicContact CD2-CB 3.76Å; L4-A27 HydrophobicContact CG-CB 3.62Å
5	F	70	Confident	79.2	Confident	151 Å²	151	98.1 Å²	98.1	66%	0.662	54%	0.539	S	S	*	.	H	α-helix	trans	-63.2	-34.7	179.3	-173.1	-100.7	0	0	0	112.1	Q2 E3 S9	Q2-F5 PolarHBondContact O-N 2.8Å; E3-F5 VanDerWaalsContact C-N 3.29Å; E3-F5 PolarHBondContact O-N 3.28Å; F5-S9 WeakPolarHBondContact O-CB 3.49Å; F5-S9 PolarHBondContact O-N 3.25Å
6	G	80.8	Confident	79.9	Confident	34 Å²	34	97.5 Å²	97.5	35%	0.351	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-47.6	174.8	0	0	0	0	0	111.8	E3 L4 S9 V10	E3-G6 PolarHBondContact O-N 3.04Å; E3-G6 VanDerWaalsContact O-N 3.15Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.91Å; G6-S9 PolarHBondContact O-N 2.89Å; G6-S9 PolarHBondContact O-OG 2.98Å; G6-V10 WeakPolarHBondContact O-CG2 3.44Å; G6-V10 PolarHBondContact O-N 3.28Å; G6-V10 VanDerWaalsContact O-N 3.15Å
7	I	84.9	Confident	80.5	Confident	47 Å²	47	101.3 Å²	101.3	24%	0.241	55%	0.553	C	S	.	*	H	α-helix	trans	-65.8	-44	-178.7	-64.2	170.4	0	0	0	111.3	E3 L4 S9 V10 F11 L23	E3-I7 PolarHBondContact O-N 3.43Å; L4-I7 PolarHBondContact O-N 3.31Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.47Å; I7-V10 PolarHBondContact O-N 2.94Å; I7-F11 HydrophobicContact CG2-CD2 3.55Å; I7-F11 HydrophobicContact CG2-CE2 3.27Å; I7-F11 HydrophobicContact CG2-CZ 4.39Å; I7-F11 VanDerWaalsContact O-CD2 3.25Å; I7-F11 WeakPolarHBondContact O-CD2 3.29Å; I7-F11 PolarHBondContact O-N 3.49Å; I7-L23 HydrophobicContact CG2-CD2 3.88Å
8	E	85.4	Confident	81.1	Confident	72 Å²	72	98.1 Å²	98.1	34%	0.336	54%	0.537	S	S	.	.	H	α-helix	trans	-58.1	-43.5	175	-73.8	-178.3	172.9	0	0	111.6	L4 V10 F11 A12 L23	L4-E8 PolarHBondContact O-N 2.91Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.45Å; E8-F11 PolarHBondContact O-N 2.98Å; E8-A12 VanDerWaalsContact O-CB 3.28Å; E8-A12 WeakPolarHBondContact O-CB 3.29Å; E8-A12 PolarHBondContact O-N 3.19Å; E8-L23 HydrophobicContact CG-CD1 3.3Å
9	S	85.2	Confident	81.6	Confident	56 Å²	56	96.3 Å²	96.3	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-38.6	179	75.6	0	0	0	0	113	F5 G6 I7 A12 C13	F5-S9 WeakPolarHBondContact O-CB 3.49Å; F5-S9 PolarHBondContact O-N 3.25Å; G6-S9 PolarHBondContact O-N 2.89Å; G6-S9 PolarHBondContact O-OG 2.98Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.47Å; S9-A12 PolarHBondContact O-N 2.93Å; S9-C13 PolarHBondContact O-N 3.49Å; S9-C13 VanDerWaalsContact O-N 3.08Å; S9-C13 PolarHBondContact O-SG 3.38Å; S9-C13 VanDerWaalsContact O-SG 3.34Å
10	V	89.6	Confident	82	Confident	78 Å²	78	98.4 Å²	98.4	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-47.7	177.9	173.4	0	0	0	0	110	G6 I7 E8 A12 C13 Y14	G6-V10 WeakPolarHBondContact O-CG2 3.44Å; G6-V10 PolarHBondContact O-N 3.28Å; G6-V10 VanDerWaalsContact O-N 3.15Å; I7-V10 PolarHBondContact O-N 2.94Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3.45Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 3.44Å; V10-C13 WeakPolarHBondContact O-CB 3.36Å; V10-C13 PolarHBondContact O-N 2.9Å; V10-Y14 HydrophobicContact CG1-CD2 4.26Å; V10-Y14 HydrophobicContact CG1-CE2 3.94Å; V10-Y14 WeakPolarHBondContact O-CD2 3.3Å; V10-Y14 PolarHBondContact O-N 3.4Å
11	F	90.8	Very high	82.6	Confident	73 Å²	73	102 Å²	102	32%	0.32	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177.5	-73.1	-55.4	0	0	0	112.5	I7 E8 C13 Y14 G15 I16 V18 L23	I7-F11 HydrophobicContact CG2-CD2 3.55Å; I7-F11 HydrophobicContact CG2-CE2 3.27Å; I7-F11 HydrophobicContact CG2-CZ 4.39Å; I7-F11 VanDerWaalsContact O-CD2 3.25Å; I7-F11 WeakPolarHBondContact O-CD2 3.29Å; I7-F11 PolarHBondContact O-N 3.49Å; E8-F11 PolarHBondContact O-N 2.98Å; F11-C13 VanDerWaalsContact C-N 3.33Å; F11-C13 PolarHBondContact O-N 3.25Å; F11-Y14 CarbonylContact O-C 3.47Å; F11-Y14 PolarHBondContact O-N 3.21Å; F11-Y14 VanDerWaalsContact O-N 3.09Å; F11-G15 PolarHBondContact O-N 2.83Å; F11-I16 HydrophobicContact CB-CB 4.36Å; F11-I16 HydrophobicContact CD1-CB 4.34Å; F11-I16 HydrophobicContact CD1-CD1 4.21Å; F11-I16 HydrophobicContact CD1-CG2 4.41Å; F11-I16 PolarHBondContact O-N 2.82Å; F11-V18 HydrophobicContact CB-CG2 4.45Å; F11-V18 HydrophobicContact CD2-CG2 4.22Å; F11-V18 HydrophobicContact CG-CG2 4.22Å; F11-L23 HydrophobicContact CE2-CD2 4.29Å
12	A	88.2	Confident	84.5	Confident	70 Å²	70	98.1 Å²	98.1	58%	0.579	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-38.6	175	0	0	0	0	0	112.5	E8 S9 V10 Y14 G15	E8-A12 VanDerWaalsContact O-CB 3.28Å; E8-A12 WeakPolarHBondContact O-CB 3.29Å; E8-A12 PolarHBondContact O-N 3.19Å; S9-A12 PolarHBondContact O-N 2.93Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 3.44Å; A12-Y14 PolarHBondContact O-N 3.24Å; A12-G15 PolarHBondContact O-N 3.02Å
13	C	89.7	Confident	86	Confident	115 Å²	115	89.7 Å²	89.7	78%	0.777	47%	0.474	S	S	*	.	H	α-helix	trans	-62.4	-29.1	174.5	-72.5	0	0	0	0	113.4	S9 V10 F11	S9-C13 PolarHBondContact O-N 3.49Å; S9-C13 VanDerWaalsContact O-N 3.08Å; S9-C13 PolarHBondContact O-SG 3.38Å; S9-C13 VanDerWaalsContact O-SG 3.34Å; V10-C13 WeakPolarHBondContact O-CB 3.36Å; V10-C13 PolarHBondContact O-N 2.9Å; F11-C13 VanDerWaalsContact C-N 3.33Å; F11-C13 PolarHBondContact O-N 3.25Å
14	Y	92.3	Very high	87.4	Confident	181 Å²	181	85.6 Å²	85.6	71%	0.71	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.6	174.8	-67.6	-71.9	0	0	0	113.5	V10 F11 A12 I16	V10-Y14 HydrophobicContact CG1-CD2 4.26Å; V10-Y14 HydrophobicContact CG1-CE2 3.94Å; V10-Y14 WeakPolarHBondContact O-CD2 3.3Å; V10-Y14 PolarHBondContact O-N 3.4Å; F11-Y14 CarbonylContact O-C 3.47Å; F11-Y14 PolarHBondContact O-N 3.21Å; F11-Y14 VanDerWaalsContact O-N 3.09Å; A12-Y14 PolarHBondContact O-N 3.24Å; Y14-I16 PolarHBondContact O-N 3.31Å
15	G	89.3	Confident	88.7	Confident	70 Å²	70	90.1 Å²	90.1	72%	0.722	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	22.7	-176.6	0	0	0	0	0	113.9	F11 A12	F11-G15 PolarHBondContact O-N 2.83Å; A12-G15 PolarHBondContact O-N 3.02Å
16	I	91.2	Very high	89.8	Confident	88 Å²	88	86.1 Å²	86.1	45%	0.451	47%	0.466	S	S	.	.			trans	-94.1	112.6	178.5	-57.7	172.8	0	0	0	107.9	F11 Y14 V18	F11-I16 HydrophobicContact CB-CB 4.36Å; F11-I16 HydrophobicContact CD1-CB 4.34Å; F11-I16 HydrophobicContact CD1-CD1 4.21Å; F11-I16 HydrophobicContact CD1-CG2 4.41Å; F11-I16 PolarHBondContact O-N 2.82Å; Y14-I16 PolarHBondContact O-N 3.31Å; I16-V18 HydrophobicContact CG2-CG2 3.84Å
17	D	89.7	Confident	90.3	Very high	162 Å²	162	85.1 Å²	85.1	87%	0.866	45%	0.454	S	S	*	.			trans	-84.4	122.9	172.6	-167	12.7	0	0	0	109.8
18	V	90.2	Very high	90.7	Very high	43 Å²	43	88 Å²	88	26%	0.261	47%	0.47	S	S	.	.			trans	-123.6	122.9	-179.4	-176.1	0	0	0	0	108	F11 I16 Y20 H22 L23	F11-V18 HydrophobicContact CB-CG2 4.45Å; F11-V18 HydrophobicContact CD2-CG2 4.22Å; F11-V18 HydrophobicContact CG-CG2 4.22Å; I16-V18 HydrophobicContact CG2-CG2 3.84Å; V18-Y20 PolarHBondContact O-N 2.87Å; V18-H22 HydrophobicContact CG1-CB 4.1Å; V18-L23 HydrophobicContact CB-CD1 4.39Å; V18-L23 HydrophobicContact CG1-CD1 4.31Å; V18-L23 HydrophobicContact CG1-CD2 4.1Å; V18-L23 HydrophobicContact CG1-CG 3.91Å
19	D	91.9	Very high	91	Very high	64 Å²	64	89.7 Å²	89.7	34%	0.342	47%	0.474	S	S	.	.			trans	-58.7	130.7	176.8	-171.6	-61	0	0	0	110.6	R21 H22	D19-R21 PolarHBondContact O-N 3.29Å; D19-R21 WeakPolarHBondContact OD1-CB 3.47Å; D19-R21 VanDerWaalsContact OD1-CG 3.22Å; D19-R21 WeakPolarHBondContact OD1-CG 3.3Å; D19-R21 IonicContact OD1-CZ 3.35Å; D19-R21 PolarHBondContact OD1-N 3.29Å; D19-R21 IonicContact OD1-NE 3.19Å; D19-R21 PolarHBondContact OD1-NE 3.34Å; D19-R21 IonicContact OD1-NH2 2.7Å; D19-R21 IonicContact OD2-CZ 3.69Å; D19-R21 IonicContact OD2-NE 3.86Å; D19-R21 PolarHBondContact OD2-NE 3.13Å; D19-R21 IonicContact OD2-NH2 3.82Å; D19-R21 PolarHBondContact OD2-NH2 3.39Å; D19-H22 WeakPolarHBondContact O-CB 2.7Å; D19-H22 PolarHBondContact O-N 3.08Å
20	Y	90	Very high	91.3	Very high	139 Å²	139	87.6 Å²	87.6	55%	0.545	46%	0.458	S	S	.	.	H	α-helix	trans	-49.4	-31.3	179.1	171.7	-95.5	0	0	0	113.2	V18 H22 L23 S24	V18-Y20 PolarHBondContact O-N 2.87Å; Y20-H22 PolarHBondContact O-N 3.11Å; Y20-L23 PolarHBondContact O-N 3.41Å; Y20-S24 WeakPolarHBondContact O-CB 3.39Å; Y20-S24 PolarHBondContact O-N 3.38Å; Y20-S24 PolarHBondContact O-OG 2.69Å
21	R	93.4	Very high	91.4	Very high	174 Å²	174	87.1 Å²	87.1	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-31.6	178.3	-65.8	174.4	-68.7	168.5	-0.5	112.7	D19 S24 L25	D19-R21 PolarHBondContact O-N 3.29Å; D19-R21 WeakPolarHBondContact OD1-CB 3.47Å; D19-R21 VanDerWaalsContact OD1-CG 3.22Å; D19-R21 WeakPolarHBondContact OD1-CG 3.3Å; D19-R21 IonicContact OD1-CZ 3.35Å; D19-R21 PolarHBondContact OD1-N 3.29Å; D19-R21 IonicContact OD1-NE 3.19Å; D19-R21 PolarHBondContact OD1-NE 3.34Å; D19-R21 IonicContact OD1-NH2 2.7Å; D19-R21 IonicContact OD2-CZ 3.69Å; D19-R21 IonicContact OD2-NE 3.86Å; D19-R21 PolarHBondContact OD2-NE 3.13Å; D19-R21 IonicContact OD2-NH2 3.82Å; D19-R21 PolarHBondContact OD2-NH2 3.39Å; R21-S24 VanDerWaalsContact CA-OG 3.28Å; R21-S24 WeakPolarHBondContact CA-OG 3.4Å; R21-S24 PolarHBondContact O-OG 3.17Å; R21-L25 VanDerWaalsContact O-CB 3.32Å; R21-L25 WeakPolarHBondContact O-CB 3.1Å; R21-L25 PolarHBondContact O-N 3.45Å
22	H	92.4	Very high	91.4	Very high	124 Å²	124	88.9 Å²	88.9	57%	0.574	47%	0.465	S	S	*	.	H	α-helix	trans	-73.2	-44.2	176.4	-62.7	-58.4	0	0	0	111.5	V18 D19 Y20 L26	V18-H22 HydrophobicContact CG1-CB 4.1Å; D19-H22 WeakPolarHBondContact O-CB 2.7Å; D19-H22 PolarHBondContact O-N 3.08Å; Y20-H22 PolarHBondContact O-N 3.11Å; H22-L26 WeakPolarHBondContact O-CB 3.35Å; H22-L26 PolarHBondContact O-N 3.47Å; H22-L26 VanDerWaalsContact O-N 3.1Å
23	L	91.8	Very high	91.5	Very high	10 Å²	10	88.9 Å²	88.9	5%	0.052	46%	0.457	C	S	.	.	H	α-helix	trans	-70.9	-42.3	-179	-62	180	0	0	0	111.4	L4 I7 E8 F11 V18 Y20 L26 A27	L4-L23 VanDerWaalsContact CD2-C 3.47Å; L4-L23 HydrophobicContact CD2-CB 3.63Å; L4-L23 VanDerWaalsContact CD2-O 3.31Å; L4-L23 WeakPolarHBondContact CD2-O 3.35Å; I7-L23 HydrophobicContact CG2-CD2 3.88Å; E8-L23 HydrophobicContact CG-CD1 3.3Å; F11-L23 HydrophobicContact CE2-CD2 4.29Å; V18-L23 HydrophobicContact CB-CD1 4.39Å; V18-L23 HydrophobicContact CG1-CD1 4.31Å; V18-L23 HydrophobicContact CG1-CD2 4.1Å; V18-L23 HydrophobicContact CG1-CG 3.91Å; Y20-L23 PolarHBondContact O-N 3.41Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.08Å; L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 2.92Å
24	S	92.4	Very high	91.5	Very high	22 Å²	22	86.6 Å²	86.6	15%	0.154	45%	0.453	C	S	.	.	H	α-helix	trans	-60.7	-45	175.1	51.7	0	0	0	0	112.2	Y20 R21 L26 A27 D28	Y20-S24 WeakPolarHBondContact O-CB 3.39Å; Y20-S24 PolarHBondContact O-N 3.38Å; Y20-S24 PolarHBondContact O-OG 2.69Å; R21-S24 VanDerWaalsContact CA-OG 3.28Å; R21-S24 WeakPolarHBondContact CA-OG 3.4Å; R21-S24 PolarHBondContact O-OG 3.17Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 2.7Å; S24-A27 PolarHBondContact O-N 3.26Å; S24-A27 VanDerWaalsContact O-N 3.15Å; S24-D28 PolarHBondContact O-N 3.25Å
25	L	93.5	Very high	91.4	Very high	120 Å²	120	84.3 Å²	84.3	63%	0.628	45%	0.451	S	S	*	.	H	α-helix	trans	-60	-40.6	174.7	-177.3	65.4	0	0	0	112	R21 Y29	R21-L25 VanDerWaalsContact O-CB 3.32Å; R21-L25 WeakPolarHBondContact O-CB 3.1Å; R21-L25 PolarHBondContact O-N 3.45Å; L25-Y29 WeakPolarHBondContact O-CB 3.44Å; L25-Y29 PolarHBondContact O-N 2.95Å
26	L	92.2	Very high	91.4	Very high	67 Å²	67	86.6 Å²	86.6	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-43.7	175.7	-171.7	72.5	0	0	0	111.4	H22 L23 S24 Y29 M30 F39	H22-L26 WeakPolarHBondContact O-CB 3.35Å; H22-L26 PolarHBondContact O-N 3.47Å; H22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.08Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 2.7Å; L26-Y29 PolarHBondContact O-N 3.04Å; L26-M30 HydrophobicContact CD2-CE 4.43Å; L26-M30 HydrophobicContact CG-CE 4.13Å; L26-M30 WeakPolarHBondContact O-CG 3.47Å; L26-M30 PolarHBondContact O-N 3.19Å; L26-F39 HydrophobicContact CD1-CE1 4.37Å; L26-F39 HydrophobicContact CD1-CE2 3.45Å; L26-F39 VanDerWaalsContact CD1-CE2 3.45Å; L26-F39 HydrophobicContact CD1-CZ 3.35Å; L26-F39 HydrophobicContact CG-CE2 3.94Å; L26-F39 HydrophobicContact CG-CZ 4.12Å
27	A	92	Very high	91.4	Very high	13 Å²	13	84.3 Å²	84.3	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-66.6	-41.7	179.1	0	0	0	0	0	112.6	L4 L23 S24 Y29 M30 T31	L4-A27 HydrophobicContact CD1-CB 3.56Å; L4-A27 HydrophobicContact CD2-CB 3.76Å; L4-A27 HydrophobicContact CG-CB 3.62Å; L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 2.92Å; S24-A27 PolarHBondContact O-N 3.26Å; S24-A27 VanDerWaalsContact O-N 3.15Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 PolarHBondContact O-N 3.38Å; A27-M30 HydrophobicContact CB-CE 4.47Å; A27-M30 PolarHBondContact O-N 2.94Å; A27-T31 WeakPolarHBondContact O-CB 3.11Å; A27-T31 WeakPolarHBondContact O-CG2 3.15Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 3.44Å
28	D	93.3	Very high	91.4	Very high	106 Å²	106	78.9 Å²	78.9	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-60.9	-41.9	173.6	-72.4	-11.6	0	0	0	110.3	S24 M30 T31 H32	S24-D28 PolarHBondContact O-N 3.25Å; D28-M30 PolarHBondContact O-N 3.5Å; D28-T31 PolarHBondContact O-N 3.1Å; D28-H32 WeakPolarHBondContact O-CB 3.46Å; D28-H32 PolarHBondContact O-N 3.1Å
29	Y	92.4	Very high	91.4	Very high	109 Å²	109	82 Å²	82	43%	0.427	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-37.2	175.7	-168.5	-88.8	0	0	0	113	L25 L26 A27 T31 H32 F39 Y43	L25-Y29 WeakPolarHBondContact O-CB 3.44Å; L25-Y29 PolarHBondContact O-N 2.95Å; L26-Y29 PolarHBondContact O-N 3.04Å; A27-Y29 VanDerWaalsContact C-N 3.28Å; A27-Y29 PolarHBondContact O-N 3.38Å; Y29-T31 PolarHBondContact O-N 2.57Å; Y29-H32 PolarHBondContact O-CD2 3.42Å; Y29-F39 AromaticContact CD1-CE1 3.43Å; Y29-F39 HydrophobicContact CD1-CE1 3.43Å; Y29-F39 VanDerWaalsContact CD1-CE1 3.43Å; Y29-F39 AromaticContact CD1-CZ 3.76Å; Y29-F39 HydrophobicContact CD1-CZ 3.76Å; Y29-F39 HydrophobicContact CE1-CD1 4.49Å; Y29-F39 AromaticContact CE1-CE1 3.63Å; Y29-F39 HydrophobicContact CE1-CE1 3.63Å; Y29-F39 HydrophobicContact CE1-CZ 4.41Å; Y29-Y43 AromaticContact CE1-CE1 3.67Å; Y29-Y43 HydrophobicContact CE1-CE1 3.67Å; Y29-Y43 AromaticContact CE1-CZ 3.8Å; Y29-Y43 WeakPolarHBondContact CE1-OH 3.35Å; Y29-Y43 AromaticContact CZ-CE1 3.94Å; Y29-Y43 AromaticContact CZ-CZ 4Å; Y29-Y43 VanDerWaalsContact CZ-OH 3.23Å; Y29-Y43 WeakPolarHBondContact OH-CE1 3.37Å; Y29-Y43 PolarHBondContact OH-OH 2.03Å
30	M	91.3	Very high	91.4	Very high	11 Å²	11	81.7 Å²	81.7	5%	0.054	41%	0.408	C	S	.	.	H	α-helix	trans	-70.1	-22.4	175.3	-71.9	-176	-67.5	0	0	112.9	L26 A27 D28 Y36 Q37 F39	L26-M30 HydrophobicContact CD2-CE 4.43Å; L26-M30 HydrophobicContact CG-CE 4.13Å; L26-M30 WeakPolarHBondContact O-CG 3.47Å; L26-M30 PolarHBondContact O-N 3.19Å; A27-M30 HydrophobicContact CB-CE 4.47Å; A27-M30 PolarHBondContact O-N 2.94Å; D28-M30 PolarHBondContact O-N 3.5Å; M30-Y36 HydrophobicContact SD-CE2 4.14Å; M30-Q37 PolarHBondContact O-N 3.42Å; M30-F39 HydrophobicContact CG-CD2 4.18Å; M30-F39 HydrophobicContact CG-CE2 3.29Å; M30-F39 HydrophobicContact CG-CZ 3.52Å; M30-F39 HydrophobicContact SD-CD2 4.1Å; M30-F39 HydrophobicContact SD-CE2 3.47Å; M30-F39 WeakPolarHBondContact SD-CE2 3.29Å; M30-F39 HydrophobicContact SD-CZ 4.3Å
31	T	91.5	Very high	91.4	Very high	69 Å²	69	81.2 Å²	81.2	42%	0.423	41%	0.405	S	S	.	.	H	α-helix	trans	-115.1	1.2	-170.8	58.4	0	0	0	0	114.4	A27 D28 Y29 T33 G34	A27-T31 WeakPolarHBondContact O-CB 3.11Å; A27-T31 WeakPolarHBondContact O-CG2 3.15Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 3.44Å; D28-T31 PolarHBondContact O-N 3.1Å; Y29-T31 PolarHBondContact O-N 2.57Å; T31-T33 PolarHBondContact O-N 3.35Å; T31-T33 VanDerWaalsContact O-N 3.09Å; T31-G34 PolarHBondContact O-N 2.66Å
32	H	90.7	Very high	91.3	Very high	110 Å²	110	76.2 Å²	76.2	51%	0.509	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.3	-175.4	76.5	69.3	0	0	0	114.2	D28 Y29 G34 Y43	D28-H32 WeakPolarHBondContact O-CB 3.46Å; D28-H32 PolarHBondContact O-N 3.1Å; Y29-H32 PolarHBondContact O-CD2 3.42Å; H32-G34 PolarHBondContact O-N 3.1Å; H32-Y43 AromaticContact NE2-CZ 3.98Å; H32-Y43 PolarHBondContact NE2-OH 3.08Å
33	T	89.7	Confident	91.2	Very high	69 Å²	69	71.2 Å²	71.2	42%	0.423	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.6	179.5	63.5	0	0	0	0	113.8	T31 M35 Q37	T31-T33 PolarHBondContact O-N 3.35Å; T31-T33 VanDerWaalsContact O-N 3.09Å; T33-M35 PolarHBondContact O-N 3.36Å; T33-M35 PolarHBondContact OG1-N 3.1Å; T33-M35 PolarHBondContact OG1-O 3.47Å; T33-M35 VanDerWaalsContact OG1-O 3.11Å; T33-Q37 HydrophobicContact CG2-CG 4.09Å; T33-Q37 WeakPolarHBondContact OG1-CG 3.11Å; T33-Q37 PolarHBondContact OG1-NE2 3.28Å; T33-Q37 VanDerWaalsContact OG1-NE2 3.08Å
34	G	91.1	Very high	91.2	Very high	67 Å²	67	72 Å²	72	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	81.5	-12.1	-168	0	0	0	0	0	114	T31 H32	T31-G34 PolarHBondContact O-N 2.66Å; H32-G34 PolarHBondContact O-N 3.1Å
35	M	89.4	Confident	91.1	Very high	134 Å²	134	75.9 Å²	75.9	66%	0.66	39%	0.389	S	S	*	.	S	Bend	trans	-114.7	154.2	171.8	-56.8	-59.8	-72.4	0	0	109.6	T33 Q37	T33-M35 PolarHBondContact O-N 3.36Å; T33-M35 PolarHBondContact OG1-N 3.1Å; T33-M35 PolarHBondContact OG1-O 3.47Å; T33-M35 VanDerWaalsContact OG1-O 3.11Å; M35-Q37 PolarHBondContact O-N 3.35Å
36	Y	89.6	Confident	90.9	Very high	117 Å²	117	74 Å²	74	46%	0.459	38%	0.383	S	S	.	.			trans	-72.2	119.4	173.9	-175.1	-87.5	0	0	0	110.5	E3 M30	E3-Y36 HydrophobicContact CB-CE2 4.48Å; E3-Y36 HydrophobicContact CG-CE2 3.93Å; E3-Y36 WeakPolarHBondContact OE2-CE2 3.15Å; E3-Y36 VanDerWaalsContact OE2-CZ 3.27Å; E3-Y36 PolarHBondContact OE2-OH 3.31Å; M30-Y36 HydrophobicContact SD-CE2 4.14Å
37	Q	90.2	Very high	90.9	Very high	41 Å²	41	71.8 Å²	71.8	19%	0.192	37%	0.372	C	S	.	.			trans	-106.3	127.5	-177.5	-65.4	-61.9	-27.4	0	0	111.3	M30 T33 M35 Y43	M30-Q37 PolarHBondContact O-N 3.42Å; T33-Q37 HydrophobicContact CG2-CG 4.09Å; T33-Q37 WeakPolarHBondContact OG1-CG 3.11Å; T33-Q37 PolarHBondContact OG1-NE2 3.28Å; T33-Q37 VanDerWaalsContact OG1-NE2 3.08Å; M35-Q37 PolarHBondContact O-N 3.35Å; Q37-Y43 HydrophobicContact CB-CD2 3.59Å; Q37-Y43 HydrophobicContact CB-CE2 3.78Å; Q37-Y43 HydrophobicContact CB-CG 4.47Å; Q37-Y43 HydrophobicContact CG-CD2 3.89Å; Q37-Y43 HydrophobicContact CG-CE2 3.86Å
38	P	90.5	Very high	90.8	Very high	48 Å²	48	77.6 Å²	77.6	31%	0.312	41%	0.407	S	S	.	.			trans	-80.1	153.4	178.2	33.1	-35.5	0	0	0	112.2	N40 Y43	P38-N40 VanDerWaalsContact C-N 3.34Å; P38-N40 PolarHBondContact O-N 3.25Å; P38-N40 VanDerWaalsContact O-N 3.11Å; P38-Y43 WeakPolarHBondContact O-CB 3.42Å
39	F	89.3	Confident	90.8	Very high	108 Å²	108	72.8 Å²	72.8	47%	0.474	38%	0.381	S	S	.	.	S	Bend	trans	-86.1	67.8	171.7	-66.7	-68.8	0	0	0	112.4	L26 Y29 M30	L26-F39 HydrophobicContact CD1-CE1 4.37Å; L26-F39 HydrophobicContact CD1-CE2 3.45Å; L26-F39 VanDerWaalsContact CD1-CE2 3.45Å; L26-F39 HydrophobicContact CD1-CZ 3.35Å; L26-F39 HydrophobicContact CG-CE2 3.94Å; L26-F39 HydrophobicContact CG-CZ 4.12Å; Y29-F39 AromaticContact CD1-CE1 3.43Å; Y29-F39 HydrophobicContact CD1-CE1 3.43Å; Y29-F39 VanDerWaalsContact CD1-CE1 3.43Å; Y29-F39 AromaticContact CD1-CZ 3.76Å; Y29-F39 HydrophobicContact CD1-CZ 3.76Å; Y29-F39 HydrophobicContact CE1-CD1 4.49Å; Y29-F39 AromaticContact CE1-CE1 3.63Å; Y29-F39 HydrophobicContact CE1-CE1 3.63Å; Y29-F39 HydrophobicContact CE1-CZ 4.41Å; M30-F39 HydrophobicContact CG-CD2 4.18Å; M30-F39 HydrophobicContact CG-CE2 3.29Å; M30-F39 HydrophobicContact CG-CZ 3.52Å; M30-F39 HydrophobicContact SD-CD2 4.1Å; M30-F39 HydrophobicContact SD-CE2 3.47Å; M30-F39 WeakPolarHBondContact SD-CE2 3.29Å; M30-F39 HydrophobicContact SD-CZ 4.3Å
40	N	91.7	Very high	91	Very high	57 Å²	57	68.2 Å²	68.2	31%	0.305	37%	0.365	S	S	.	.	S	Bend	trans	-142.2	-179.5	178.7	64.7	24.9	0	0	0	111.6	P38 S42 Y43 M44	P38-N40 VanDerWaalsContact C-N 3.34Å; P38-N40 PolarHBondContact O-N 3.25Å; P38-N40 VanDerWaalsContact O-N 3.11Å; N40-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact O-N 3.08Å; N40-S42 WeakPolarHBondContact OD1-CA 3.4Å; N40-S42 WeakPolarHBondContact OD1-CB 3.33Å; N40-S42 PolarHBondContact OD1-N 3.39Å; N40-S42 PolarHBondContact OD1-OG 3.17Å; N40-Y43 PolarHBondContact O-N 2.71Å; N40-Y43 VanDerWaalsContact O-N 3.1Å; N40-Y43 PolarHBondContact OD1-N 3.5Å; N40-M44 PolarHBondContact O-N 3.04Å
41	R	90.8	Very high	91.1	Very high	129 Å²	129	69.5 Å²	69.5	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-51.6	-33	177.7	60.4	175.7	-172.1	-89.6	0.1	114.1	Y43 M44 Y45 E57	R41-Y43 VanDerWaalsContact C-N 3.32Å; R41-Y43 PolarHBondContact O-N 3.26Å; R41-M44 WeakPolarHBondContact O-CB 3.4Å; R41-M44 PolarHBondContact O-N 3.47Å; R41-M44 VanDerWaalsContact O-N 3.1Å; R41-Y45 WeakPolarHBondContact O-CD2 3.47Å; R41-Y45 PolarHBondContact O-N 2.71Å; R41-E57 HydrophobicContact CB-CB 4.13Å; R41-E57 HydrophobicContact CB-CG 4.46Å; R41-E57 VanDerWaalsContact CB-OE2 3.23Å; R41-E57 WeakPolarHBondContact CB-OE2 3.42Å; R41-E57 WeakPolarHBondContact CD-OE2 3.41Å; R41-E57 VanDerWaalsContact CG-OE2 3.3Å; R41-E57 WeakPolarHBondContact CG-OE2 3.48Å; R41-E57 PolarHBondContact N-OE1 3Å; R41-E57 IonicContact NH1-OE2 2.9Å
42	S	90.6	Very high	91.3	Very high	69 Å²	69	68 Å²	68	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-41.1	-177.8	-54.3	0	0	0	0	111.1	N40 M44 Y45	N40-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact O-N 3.08Å; N40-S42 WeakPolarHBondContact OD1-CA 3.4Å; N40-S42 WeakPolarHBondContact OD1-CB 3.33Å; N40-S42 PolarHBondContact OD1-N 3.39Å; N40-S42 PolarHBondContact OD1-OG 3.17Å; S42-M44 VanDerWaalsContact C-N 3.34Å; S42-Y45 PolarHBondContact O-N 3.12Å
43	Y	91.6	Very high	91.5	Very high	19 Å²	19	64.8 Å²	64.8	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-68.4	-34	174.3	176.5	-106.5	0	0	0	112.3	Y29 H32 Q37 P38 N40 R41 Y45 T46	Y29-Y43 AromaticContact CE1-CE1 3.67Å; Y29-Y43 HydrophobicContact CE1-CE1 3.67Å; Y29-Y43 AromaticContact CE1-CZ 3.8Å; Y29-Y43 WeakPolarHBondContact CE1-OH 3.35Å; Y29-Y43 AromaticContact CZ-CE1 3.94Å; Y29-Y43 AromaticContact CZ-CZ 4Å; Y29-Y43 VanDerWaalsContact CZ-OH 3.23Å; Y29-Y43 WeakPolarHBondContact OH-CE1 3.37Å; Y29-Y43 PolarHBondContact OH-OH 2.03Å; H32-Y43 AromaticContact NE2-CZ 3.98Å; H32-Y43 PolarHBondContact NE2-OH 3.08Å; Q37-Y43 HydrophobicContact CB-CD2 3.59Å; Q37-Y43 HydrophobicContact CB-CE2 3.78Å; Q37-Y43 HydrophobicContact CB-CG 4.47Å; Q37-Y43 HydrophobicContact CG-CD2 3.89Å; Q37-Y43 HydrophobicContact CG-CE2 3.86Å; P38-Y43 WeakPolarHBondContact O-CB 3.42Å; N40-Y43 PolarHBondContact O-N 2.71Å; N40-Y43 VanDerWaalsContact O-N 3.1Å; N40-Y43 PolarHBondContact OD1-N 3.5Å; R41-Y43 VanDerWaalsContact C-N 3.32Å; R41-Y43 PolarHBondContact O-N 3.26Å; Y43-Y45 PolarHBondContact O-N 2.63Å; Y43-T46 WeakPolarHBondContact O-CB 3.16Å; Y43-T46 PolarHBondContact O-N 3.41Å; Y43-T46 PolarHBondContact O-OG1 2.97Å
44	M	91.8	Very high	91.7	Very high	27 Å²	27	63 Å²	63	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-27.7	178.4	-164.1	57.5	63.6	0	0	112.9	N40 R41 S42 T46 S47 Q52 K53 F56 F62	N40-M44 PolarHBondContact O-N 3.04Å; R41-M44 WeakPolarHBondContact O-CB 3.4Å; R41-M44 PolarHBondContact O-N 3.47Å; R41-M44 VanDerWaalsContact O-N 3.1Å; S42-M44 VanDerWaalsContact C-N 3.34Å; M44-T46 PolarHBondContact O-N 2.92Å; M44-S47 WeakPolarHBondContact O-CB 3.45Å; M44-S47 PolarHBondContact O-N 3.34Å; M44-S47 VanDerWaalsContact O-N 3.08Å; M44-S47 PolarHBondContact SD-OG 3.09Å; M44-Q52 HydrophobicContact SD-CG 4.32Å; M44-K53 HydrophobicContact CG-CB 4.17Å; M44-K53 HydrophobicContact CG-CG 4.11Å; M44-K53 WeakPolarHBondContact O-CE 3.08Å; M44-K53 WeakPolarHBondContact O-CG 3.38Å; M44-F56 HydrophobicContact CB-CD1 4.09Å; M44-F56 HydrophobicContact CE-CB 3.86Å; M44-F56 HydrophobicContact CE-CD1 3.81Å; M44-F56 HydrophobicContact CE-CG 3.84Å; M44-F56 HydrophobicContact CG-CB 4.29Å; M44-F56 HydrophobicContact CG-CD1 4.19Å; M44-F62 HydrophobicContact CB-CZ 4.08Å; M44-F62 HydrophobicContact CG-CE2 4.28Å; M44-F62 HydrophobicContact CG-CZ 4.13Å
45	Y	90.4	Very high	91.8	Very high	104 Å²	104	63.4 Å²	63.4	41%	0.408	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.3	172.7	-74.4	-87.6	0	0	0	113.2	R41 S42 Y43 S47 K53 F62	R41-Y45 WeakPolarHBondContact O-CD2 3.47Å; R41-Y45 PolarHBondContact O-N 2.71Å; S42-Y45 PolarHBondContact O-N 3.12Å; Y43-Y45 PolarHBondContact O-N 2.63Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; Y45-K53 WeakPolarHBondContact O-CE 3.25Å; Y45-K53 PolarHBondContact O-NZ 3.4Å; Y45-F62 HydrophobicContact CD1-CD1 4.29Å; Y45-F62 AromaticContact CD1-CE1 3.56Å; Y45-F62 HydrophobicContact CD1-CE1 3.56Å; Y45-F62 AromaticContact CD2-CE1 3.97Å; Y45-F62 HydrophobicContact CD2-CE1 3.97Å; Y45-F62 HydrophobicContact CD2-CZ 4.14Å; Y45-F62 AromaticContact CE1-CD1 3.99Å; Y45-F62 HydrophobicContact CE1-CD1 3.99Å; Y45-F62 AromaticContact CE1-CE1 3.41Å; Y45-F62 HydrophobicContact CE1-CE1 3.41Å; Y45-F62 VanDerWaalsContact CE1-CE1 3.41Å; Y45-F62 HydrophobicContact CE1-CZ 4.27Å; Y45-F62 AromaticContact CE2-CE1 3.83Å; Y45-F62 HydrophobicContact CE2-CE1 3.83Å; Y45-F62 AromaticContact CE2-CZ 3.88Å; Y45-F62 HydrophobicContact CE2-CZ 3.88Å; Y45-F62 AromaticContact CG-CE1 3.83Å; Y45-F62 HydrophobicContact CG-CE1 3.83Å; Y45-F62 HydrophobicContact CG-CZ 4.43Å; Y45-F62 AromaticContact CZ-CE1 3.54Å; Y45-F62 AromaticContact CZ-CZ 3.94Å
46	T	89.7	Confident	92	Very high	81 Å²	81	60.4 Å²	60.4	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.7	178.7	73.7	0	0	0	0	113.5	Y43 M44	Y43-T46 WeakPolarHBondContact O-CB 3.16Å; Y43-T46 PolarHBondContact O-N 3.41Å; Y43-T46 PolarHBondContact O-OG1 2.97Å; M44-T46 PolarHBondContact O-N 2.92Å
47	S	90.8	Very high	92.1	Very high	19 Å²	19	59.9 Å²	59.9	13%	0.133	31%	0.306	C	S	.	.			trans	-62.8	150.4	177.1	-67.9	0	0	0	0	111.2	M44 Y45 Q52 K53	M44-S47 WeakPolarHBondContact O-CB 3.45Å; M44-S47 PolarHBondContact O-N 3.34Å; M44-S47 VanDerWaalsContact O-N 3.08Å; M44-S47 PolarHBondContact SD-OG 3.09Å; Y45-S47 VanDerWaalsContact C-N 3.32Å; S47-Q52 PolarHBondContact OG-NE2 3.38Å; S47-K53 WeakPolarHBondContact O-CE 2.96Å; S47-K53 PolarHBondContact O-NZ 3.44Å
48	T	90.7	Very high	92.1	Very high	135 Å²	135	60.1 Å²	60.1	83%	0.828	31%	0.31	S	S	*	.	S	Bend	trans	-88.2	-30.1	-179.3	50.7	0	0	0	0	113.3	P50	T48-P50 WeakPolarHBondContact O-CD 3.36Å
49	S	93.8	Very high	92.2	Very high	5 Å²	5	61 Å²	61	4%	0.035	32%	0.315	C	S	.	.			trans	-85	115.6	-177	157.5	0	0	0	0	111.5	Q52 K53 D73 S80	S49-Q52 PolarHBondContact O-N 2.81Å; S49-Q52 VanDerWaalsContact OG-CB 3.25Å; S49-Q52 WeakPolarHBondContact OG-CB 3.21Å; S49-Q52 PolarHBondContact OG-N 2.95Å; S49-K53 WeakPolarHBondContact O-CG 3.16Å; S49-K53 PolarHBondContact O-N 3.38Å; S49-K53 VanDerWaalsContact O-N 3.1Å; S49-D73 WeakPolarHBondContact CB-OD2 3.36Å; S49-D73 VanDerWaalsContact OG-CG 3.29Å; S49-D73 PolarHBondContact OG-OD1 3.07Å; S49-D73 PolarHBondContact OG-OD2 2.99Å; S49-S80 WeakPolarHBondContact OG-CB 3.49Å
50	P	95.1	Very high	92.5	Very high	14 Å²	14	63.1 Å²	63.1	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-35.3	177.7	25.7	-34	0	0	0	112.8	T48 Q52 K53 M54 A66 D73	T48-P50 WeakPolarHBondContact O-CD 3.36Å; P50-Q52 VanDerWaalsContact C-N 3.33Å; P50-Q52 PolarHBondContact O-N 2.91Å; P50-K53 PolarHBondContact O-N 3.39Å; P50-M54 WeakPolarHBondContact O-CG 3.3Å; P50-M54 PolarHBondContact O-N 3.04Å; P50-A66 HydrophobicContact CB-CB 3.93Å; P50-D73 WeakPolarHBondContact CD-OD2 3.23Å; P50-D73 HydrophobicContact CG-CB 3.86Å
51	L	94.9	Very high	92.6	Very high	37 Å²	37	62.3 Å²	62.3	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-40.1	175.2	-62.7	176.5	0	0	0	110.8	K53 M54 T55 D73 L75 V83 V84	L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.93Å; L51-M54 HydrophobicContact CD2-CE 3.39Å; L51-M54 HydrophobicContact CG-CE 4.34Å; L51-M54 PolarHBondContact O-N 3.3Å; L51-T55 WeakPolarHBondContact O-CG2 3.42Å; L51-T55 PolarHBondContact O-N 3.33Å; L51-D73 WeakPolarHBondContact CB-OD2 3.46Å; L51-D73 HydrophobicContact CD1-CB 4.09Å; L51-D73 HydrophobicContact CG-CB 4.04Å; L51-D73 VanDerWaalsContact CG-OD2 3.29Å; L51-D73 WeakPolarHBondContact CG-OD2 3.48Å; L51-D73 PolarHBondContact N-OD2 3.23Å; L51-L75 HydrophobicContact CD1-CD2 3.53Å; L51-V83 HydrophobicContact CD1-CG1 4.36Å; L51-V83 HydrophobicContact CD2-CG1 4.34Å; L51-V84 HydrophobicContact CD1-CG1 4.22Å
52	Q	94.7	Very high	92.8	Very high	39 Å²	39	56.5 Å²	56.5	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-44.8	173.4	177.3	175.7	-42.2	0	0	111.5	M44 S47 S49 P50 M54 T55 T77	M44-Q52 HydrophobicContact SD-CG 4.32Å; S47-Q52 PolarHBondContact OG-NE2 3.38Å; S49-Q52 PolarHBondContact O-N 2.81Å; S49-Q52 VanDerWaalsContact OG-CB 3.25Å; S49-Q52 WeakPolarHBondContact OG-CB 3.21Å; S49-Q52 PolarHBondContact OG-N 2.95Å; P50-Q52 VanDerWaalsContact C-N 3.33Å; P50-Q52 PolarHBondContact O-N 2.91Å; Q52-M54 VanDerWaalsContact C-N 3.27Å; Q52-M54 PolarHBondContact O-N 3Å; Q52-T55 PolarHBondContact O-N 3.11Å; Q52-T55 VanDerWaalsContact O-N 3.1Å; Q52-T55 PolarHBondContact O-OG1 3.15Å; Q52-T77 PolarHBondContact OE1-OG1 3.31Å
53	K	94.5	Very high	93	Very high	42 Å²	42	56.8 Å²	56.8	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-43.5	177	-63.7	-176.3	-172.1	-179	0	111.7	M44 Y45 S47 S49 P50 L51 T55 F56 F62	M44-K53 HydrophobicContact CG-CB 4.17Å; M44-K53 HydrophobicContact CG-CG 4.11Å; M44-K53 WeakPolarHBondContact O-CE 3.08Å; M44-K53 WeakPolarHBondContact O-CG 3.38Å; Y45-K53 WeakPolarHBondContact O-CE 3.25Å; Y45-K53 PolarHBondContact O-NZ 3.4Å; S47-K53 WeakPolarHBondContact O-CE 2.96Å; S47-K53 PolarHBondContact O-NZ 3.44Å; S49-K53 WeakPolarHBondContact O-CG 3.16Å; S49-K53 PolarHBondContact O-N 3.38Å; S49-K53 VanDerWaalsContact O-N 3.1Å; P50-K53 PolarHBondContact O-N 3.39Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.93Å; K53-T55 PolarHBondContact O-N 3.16Å; K53-T55 VanDerWaalsContact O-N 3.17Å; K53-F56 PolarHBondContact O-N 2.82Å; K53-F56 VanDerWaalsContact O-N 3.12Å; K53-F62 HydrophobicContact CB-CB 3.95Å; K53-F62 HydrophobicContact CB-CD1 3.76Å; K53-F62 HydrophobicContact CB-CD2 3.85Å; K53-F62 HydrophobicContact CB-CE1 4.15Å; K53-F62 HydrophobicContact CB-CE2 4.24Å; K53-F62 HydrophobicContact CB-CG 3.6Å; K53-F62 HydrophobicContact CB-CZ 4.39Å; K53-F62 HydrophobicContact CD-CD1 3.83Å; K53-F62 HydrophobicContact CD-CE1 4.05Å; K53-F62 HydrophobicContact CD-CG 4.49Å; K53-F62 HydrophobicContact CG-CD1 4.32Å; K53-F62 HydrophobicContact CG-CE1 4.44Å; K53-F62 WeakPolarHBondContact O-CD2 3.38Å; K53-F62 WeakPolarHBondContact O-CE2 3.23Å
54	M	94.1	Very high	93.2	Very high	31 Å²	31	62.4 Å²	62.4	15%	0.153	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-21.8	179.6	-79	-168.9	-70.4	0	0	114	P50 L51 Q52 F56 T59 F62 M63	P50-M54 WeakPolarHBondContact O-CG 3.3Å; P50-M54 PolarHBondContact O-N 3.04Å; L51-M54 HydrophobicContact CD2-CE 3.39Å; L51-M54 HydrophobicContact CG-CE 4.34Å; L51-M54 PolarHBondContact O-N 3.3Å; Q52-M54 VanDerWaalsContact C-N 3.27Å; Q52-M54 PolarHBondContact O-N 3Å; M54-F56 VanDerWaalsContact C-N 3.27Å; M54-F56 PolarHBondContact O-N 3.06Å; M54-T59 HydrophobicContact CB-CG2 4.02Å; M54-T59 HydrophobicContact CG-CG2 4.26Å; M54-T59 WeakPolarHBondContact O-CB 3.14Å; M54-T59 WeakPolarHBondContact O-CG2 3.32Å; M54-T59 PolarHBondContact O-OG1 3.26Å; M54-F62 HydrophobicContact CG-CB 3.91Å; M54-M63 HydrophobicContact CG-CB 4.3Å; M54-M63 HydrophobicContact SD-CB 3.47Å; M54-M63 WeakPolarHBondContact SD-CB 2.98Å; M54-M63 HydrophobicContact SD-CE 3.58Å; M54-M63 VanDerWaalsContact SD-CE 3.58Å; M54-M63 HydrophobicContact SD-CG 3.79Å
55	T	93.7	Very high	93.3	Very high	75 Å²	75	64.1 Å²	64.1	46%	0.46	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.7	176.3	67	0	0	0	0	114.7	L51 Q52 K53 V83	L51-T55 WeakPolarHBondContact O-CG2 3.42Å; L51-T55 PolarHBondContact O-N 3.33Å; Q52-T55 PolarHBondContact O-N 3.11Å; Q52-T55 VanDerWaalsContact O-N 3.1Å; Q52-T55 PolarHBondContact O-OG1 3.15Å; K53-T55 PolarHBondContact O-N 3.16Å; K53-T55 VanDerWaalsContact O-N 3.17Å; T55-V83 HydrophobicContact CG2-CG2 4Å
56	F	94.2	Very high	93.5	Very high	72 Å²	72	59.9 Å²	59.9	32%	0.316	32%	0.323	S	S	.	.	S	Bend	trans	-131.6	130	-172.3	-173.1	-104.4	0	0	0	113.6	M44 K53 M54 T58	M44-F56 HydrophobicContact CB-CD1 4.09Å; M44-F56 HydrophobicContact CE-CB 3.86Å; M44-F56 HydrophobicContact CE-CD1 3.81Å; M44-F56 HydrophobicContact CE-CG 3.84Å; M44-F56 HydrophobicContact CG-CB 4.29Å; M44-F56 HydrophobicContact CG-CD1 4.19Å; K53-F56 PolarHBondContact O-N 2.82Å; K53-F56 VanDerWaalsContact O-N 3.12Å; M54-F56 VanDerWaalsContact C-N 3.27Å; M54-F56 PolarHBondContact O-N 3.06Å; F56-T58 VanDerWaalsContact C-N 3.25Å; F56-T58 PolarHBondContact O-N 3.18Å
57	E	91.4	Very high	93.8	Very high	106 Å²	106	62 Å²	62	50%	0.495	33%	0.33	S	S	.	.	S	Bend	trans	51.9	-58.1	177	-75.2	-173.6	-134.8	0	0	117.7	R41	R41-E57 HydrophobicContact CB-CB 4.13Å; R41-E57 HydrophobicContact CB-CG 4.46Å; R41-E57 VanDerWaalsContact CB-OE2 3.23Å; R41-E57 WeakPolarHBondContact CB-OE2 3.42Å; R41-E57 WeakPolarHBondContact CD-OE2 3.41Å; R41-E57 VanDerWaalsContact CG-OE2 3.3Å; R41-E57 WeakPolarHBondContact CG-OE2 3.48Å; R41-E57 PolarHBondContact N-OE1 3Å; R41-E57 IonicContact NH1-OE2 2.9Å
58	T	89.3	Confident	94.1	Very high	45 Å²	45	66.9 Å²	66.9	28%	0.276	35%	0.354	S	S	.	.			trans	-131.5	66.2	-166.8	54.6	0	0	0	0	113.3	F56 M60 A61 F62	F56-T58 VanDerWaalsContact C-N 3.25Å; F56-T58 PolarHBondContact O-N 3.18Å; T58-M60 PolarHBondContact O-N 2.81Å; T58-A61 PolarHBondContact O-N 3.33Å; T58-F62 WeakPolarHBondContact O-CD2 3.33Å; T58-F62 PolarHBondContact O-N 3.26Å; T58-F62 WeakPolarHBondContact OG1-CE2 3.46Å
59	T	94	Very high	94.3	Very high	67 Å²	67	66.1 Å²	66.1	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-51.6	-50.5	-178.4	-50.8	0	0	0	0	113.7	M54 A61 F62 M63	M54-T59 HydrophobicContact CB-CG2 4.02Å; M54-T59 HydrophobicContact CG-CG2 4.26Å; M54-T59 WeakPolarHBondContact O-CB 3.14Å; M54-T59 WeakPolarHBondContact O-CG2 3.32Å; M54-T59 PolarHBondContact O-OG1 3.26Å; T59-A61 PolarHBondContact O-N 3.48Å; T59-F62 PolarHBondContact O-N 3.09Å; T59-M63 VanDerWaalsContact O-CB 3.3Å; T59-M63 WeakPolarHBondContact O-CB 3.48Å; T59-M63 PolarHBondContact O-N 2.85Å
60	M	95.2	Very high	94.3	Very high	153 Å²	153	72.2 Å²	72.2	75%	0.754	38%	0.377	S	S	*	.	H	α-helix	trans	-65.3	-36.4	-175.3	-73.4	-67.1	-174	0	0	113.2	T58 K64	T58-M60 PolarHBondContact O-N 2.81Å; M60-K64 WeakPolarHBondContact O-CB 3.38Å; M60-K64 PolarHBondContact O-N 3.01Å
61	A	93.9	Very high	94.2	Very high	40 Å²	40	74.3 Å²	74.3	33%	0.331	39%	0.393	S	S	.	.	H	α-helix	trans	-66.3	-50.3	177.8	0	0	0	0	0	110.4	T58 T59 M63 K64 D65	T58-A61 PolarHBondContact O-N 3.33Å; T59-A61 PolarHBondContact O-N 3.48Å; A61-M63 VanDerWaalsContact C-N 3.31Å; A61-M63 PolarHBondContact O-N 3.07Å; A61-K64 PolarHBondContact O-N 2.99Å; A61-D65 PolarHBondContact O-N 3.3Å
62	F	94.2	Very high	94.1	Very high	6 Å²	6	80.4 Å²	80.4	3%	0.026	42%	0.42	C	S	.	.	H	α-helix	trans	-63.3	-36.6	177.2	-67	-56.2	0	0	0	112.9	M44 Y45 K53 M54 T58 T59 D65 A66	M44-F62 HydrophobicContact CB-CZ 4.08Å; M44-F62 HydrophobicContact CG-CE2 4.28Å; M44-F62 HydrophobicContact CG-CZ 4.13Å; Y45-F62 HydrophobicContact CD1-CD1 4.29Å; Y45-F62 AromaticContact CD1-CE1 3.56Å; Y45-F62 HydrophobicContact CD1-CE1 3.56Å; Y45-F62 AromaticContact CD2-CE1 3.97Å; Y45-F62 HydrophobicContact CD2-CE1 3.97Å; Y45-F62 HydrophobicContact CD2-CZ 4.14Å; Y45-F62 AromaticContact CE1-CD1 3.99Å; Y45-F62 HydrophobicContact CE1-CD1 3.99Å; Y45-F62 AromaticContact CE1-CE1 3.41Å; Y45-F62 HydrophobicContact CE1-CE1 3.41Å; Y45-F62 VanDerWaalsContact CE1-CE1 3.41Å; Y45-F62 HydrophobicContact CE1-CZ 4.27Å; Y45-F62 AromaticContact CE2-CE1 3.83Å; Y45-F62 HydrophobicContact CE2-CE1 3.83Å; Y45-F62 AromaticContact CE2-CZ 3.88Å; Y45-F62 HydrophobicContact CE2-CZ 3.88Å; Y45-F62 AromaticContact CG-CE1 3.83Å; Y45-F62 HydrophobicContact CG-CE1 3.83Å; Y45-F62 HydrophobicContact CG-CZ 4.43Å; Y45-F62 AromaticContact CZ-CE1 3.54Å; Y45-F62 AromaticContact CZ-CZ 3.94Å; K53-F62 HydrophobicContact CB-CB 3.95Å; K53-F62 HydrophobicContact CB-CD1 3.76Å; K53-F62 HydrophobicContact CB-CD2 3.85Å; K53-F62 HydrophobicContact CB-CE1 4.15Å; K53-F62 HydrophobicContact CB-CE2 4.24Å; K53-F62 HydrophobicContact CB-CG 3.6Å; K53-F62 HydrophobicContact CB-CZ 4.39Å; K53-F62 HydrophobicContact CD-CD1 3.83Å; K53-F62 HydrophobicContact CD-CE1 4.05Å; K53-F62 HydrophobicContact CD-CG 4.49Å; K53-F62 HydrophobicContact CG-CD1 4.32Å; K53-F62 HydrophobicContact CG-CE1 4.44Å; K53-F62 WeakPolarHBondContact O-CD2 3.38Å; K53-F62 WeakPolarHBondContact O-CE2 3.23Å; M54-F62 HydrophobicContact CG-CB 3.91Å; T58-F62 WeakPolarHBondContact O-CD2 3.33Å; T58-F62 PolarHBondContact O-N 3.26Å; T58-F62 WeakPolarHBondContact OG1-CE2 3.46Å; T59-F62 PolarHBondContact O-N 3.09Å; F62-D65 PolarHBondContact O-N 2.98Å; F62-A66 VanDerWaalsContact O-CB 3.29Å; F62-A66 WeakPolarHBondContact O-CB 3.12Å; F62-A66 PolarHBondContact O-N 3.43Å
63	M	94.9	Very high	94.1	Very high	76 Å²	76	80.2 Å²	80.2	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-63.5	-48.6	175.8	-172.7	177.9	-75.1	0	0	111.3	M54 T59 A61 D65 A66 I67	M54-M63 HydrophobicContact CG-CB 4.3Å; M54-M63 HydrophobicContact SD-CB 3.47Å; M54-M63 WeakPolarHBondContact SD-CB 2.98Å; M54-M63 HydrophobicContact SD-CE 3.58Å; M54-M63 VanDerWaalsContact SD-CE 3.58Å; M54-M63 HydrophobicContact SD-CG 3.79Å; T59-M63 VanDerWaalsContact O-CB 3.3Å; T59-M63 WeakPolarHBondContact O-CB 3.48Å; T59-M63 PolarHBondContact O-N 2.85Å; A61-M63 VanDerWaalsContact C-N 3.31Å; A61-M63 PolarHBondContact O-N 3.07Å; M63-D65 VanDerWaalsContact C-N 3.33Å; M63-D65 PolarHBondContact O-N 3.46Å; M63-A66 PolarHBondContact O-N 2.83Å; M63-I67 HydrophobicContact CG-CD1 3.92Å; M63-I67 VanDerWaalsContact O-CG1 3.3Å; M63-I67 WeakPolarHBondContact O-CG1 3.33Å; M63-I67 PolarHBondContact O-N 3.48Å
64	K	96.2	Very high	94	Very high	137 Å²	137	85.7 Å²	85.7	60%	0.596	45%	0.45	S	S	*	.	H	α-helix	trans	-58.4	-46.9	177.1	-179.3	-173.6	172.2	-174.4	0	110.8	M60 A61 A66 I67 L68	M60-K64 WeakPolarHBondContact O-CB 3.38Å; M60-K64 PolarHBondContact O-N 3.01Å; A61-K64 PolarHBondContact O-N 2.99Å; K64-A66 VanDerWaalsContact C-N 3.33Å; K64-A66 PolarHBondContact O-N 3.48Å; K64-I67 PolarHBondContact O-N 3.23Å; K64-L68 HydrophobicContact CD-CD1 4.47Å; K64-L68 HydrophobicContact CG-CD1 3.92Å; K64-L68 HydrophobicContact CG-CG 4.39Å; K64-L68 WeakPolarHBondContact O-CB 3Å; K64-L68 VanDerWaalsContact O-CG 3.29Å; K64-L68 WeakPolarHBondContact O-CG 3.38Å; K64-L68 PolarHBondContact O-N 2.84Å
65	D	94.2	Very high	94	Very high	63 Å²	63	86.9 Å²	86.9	34%	0.337	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-38.4	179.3	-68.6	-13.9	0	0	0	111.8	A61 F62 M63 N69	A61-D65 PolarHBondContact O-N 3.3Å; F62-D65 PolarHBondContact O-N 2.98Å; M63-D65 VanDerWaalsContact C-N 3.33Å; M63-D65 PolarHBondContact O-N 3.46Å; D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 3.43Å; D65-N69 PolarHBondContact O-ND2 3.41Å
66	A	94.6	Very high	93.9	Very high	14 Å²	14	93.6 Å²	93.6	12%	0.116	47%	0.473	C	S	.	.	H	α-helix	trans	-64.8	-42.5	175.6	0	0	0	0	0	112	P50 F62 M63 K64 N70 S71	P50-A66 HydrophobicContact CB-CB 3.93Å; F62-A66 VanDerWaalsContact O-CB 3.29Å; F62-A66 WeakPolarHBondContact O-CB 3.12Å; F62-A66 PolarHBondContact O-N 3.43Å; M63-A66 PolarHBondContact O-N 2.83Å; K64-A66 VanDerWaalsContact C-N 3.33Å; K64-A66 PolarHBondContact O-N 3.48Å; A66-N70 WeakPolarHBondContact O-CA 3.22Å; A66-N70 PolarHBondContact O-N 2.96Å; A66-S71 PolarHBondContact O-N 3.16Å
67	I	95.9	Very high	93.8	Very high	125 Å²	125	91.4 Å²	91.4	64%	0.641	47%	0.466	S	S	*	.	H	α-helix	trans	-65.7	-44.9	177.1	-67.1	166.7	0	0	0	110.7	M63 K64 N69 N70	M63-I67 HydrophobicContact CG-CD1 3.92Å; M63-I67 VanDerWaalsContact O-CG1 3.3Å; M63-I67 WeakPolarHBondContact O-CG1 3.33Å; M63-I67 PolarHBondContact O-N 3.48Å; K64-I67 PolarHBondContact O-N 3.23Å; I67-N69 VanDerWaalsContact C-N 3.32Å; I67-N69 PolarHBondContact O-N 2.99Å; I67-N70 PolarHBondContact O-N 3.13Å
68	L	96.8	Very high	93.9	Very high	123 Å²	123	88.9 Å²	88.9	64%	0.644	46%	0.459	S	S	*	.	H	α-helix	trans	-65.3	-34.5	-179.5	-73.1	174.6	0	0	0	113	K64	K64-L68 HydrophobicContact CD-CD1 4.47Å; K64-L68 HydrophobicContact CG-CD1 3.92Å; K64-L68 HydrophobicContact CG-CG 4.39Å; K64-L68 WeakPolarHBondContact O-CB 3Å; K64-L68 VanDerWaalsContact O-CG 3.29Å; K64-L68 WeakPolarHBondContact O-CG 3.38Å; K64-L68 PolarHBondContact O-N 2.84Å
69	N	94.6	Very high	94.2	Very high	119 Å²	119	88.8 Å²	88.8	64%	0.636	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.3	179.2	-66.1	-55.8	0	0	0	113.6	D65 I67 S71	D65-N69 WeakPolarHBondContact O-CB 3.49Å; D65-N69 PolarHBondContact O-N 3.43Å; D65-N69 PolarHBondContact O-ND2 3.41Å; I67-N69 VanDerWaalsContact C-N 3.32Å; I67-N69 PolarHBondContact O-N 2.99Å; N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.29Å
70	N	93.8	Very high	94.2	Very high	132 Å²	132	85.6 Å²	85.6	71%	0.706	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	45.3	-171.7	-164.7	46.5	0	0	0	112.8	A66 I67	A66-N70 WeakPolarHBondContact O-CA 3.22Å; A66-N70 PolarHBondContact O-N 2.96Å; I67-N70 PolarHBondContact O-N 3.13Å
71	S	93.1	Very high	94.2	Very high	59 Å²	59	78.4 Å²	78.4	41%	0.413	41%	0.406	S	S	.	.			trans	-76.6	126.6	-176.3	-60.6	0	0	0	0	111.9	A66 N69	A66-S71 PolarHBondContact O-N 3.16Å; N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.29Å
72	E	93.6	Very high	94.2	Very high	165 Å²	165	82.1 Å²	82.1	77%	0.771	42%	0.419	S	S	*	.			trans	-95.5	152.3	174.6	-62.5	-177.9	176.7	0	0	112
73	D	94.2	Very high	94.2	Very high	35 Å²	35	85.9 Å²	85.9	19%	0.187	44%	0.443	C	S	.	.			trans	-110.2	127.6	174.8	-155	-34.5	0	0	0	111.6	S49 P50 L51 L75	S49-D73 WeakPolarHBondContact CB-OD2 3.36Å; S49-D73 VanDerWaalsContact OG-CG 3.29Å; S49-D73 PolarHBondContact OG-OD1 3.07Å; S49-D73 PolarHBondContact OG-OD2 2.99Å; P50-D73 WeakPolarHBondContact CD-OD2 3.23Å; P50-D73 HydrophobicContact CG-CB 3.86Å; L51-D73 WeakPolarHBondContact CB-OD2 3.46Å; L51-D73 HydrophobicContact CD1-CB 4.09Å; L51-D73 HydrophobicContact CG-CB 4.04Å; L51-D73 VanDerWaalsContact CG-OD2 3.29Å; L51-D73 WeakPolarHBondContact CG-OD2 3.48Å; L51-D73 PolarHBondContact N-OD2 3.23Å; D73-L75 HydrophobicContact CB-CD2 4.45Å; D73-L75 PolarHBondContact O-N 2.75Å; D73-L75 PolarHBondContact OD1-N 3.2Å
74	I	93.1	Very high	94.2	Very high	156 Å²	156	86 Å²	86	80%	0.8	45%	0.447	S	S	*	.			trans	-81.4	-6	179.9	-51.7	169.9	0	0	0	111.2	R76	I74-R76 PolarHBondContact O-N 3.45Å
75	L	92.6	Very high	94.1	Very high	57 Å²	57	82.8 Å²	82.8	30%	0.298	45%	0.453	S	S	.	.			trans	58.9	30	177.4	-54.4	171.7	0	0	0	113.7	L51 D73 S80 V84	L51-L75 HydrophobicContact CD1-CD2 3.53Å; D73-L75 HydrophobicContact CB-CD2 4.45Å; D73-L75 PolarHBondContact O-N 2.75Å; D73-L75 PolarHBondContact OD1-N 3.2Å; L75-S80 WeakPolarHBondContact CA-OG 3.42Å; L75-V84 HydrophobicContact CD1-CG1 4.43Å; L75-V84 HydrophobicContact CD1-CG2 3.91Å; L75-V84 HydrophobicContact CD2-CG1 3.84Å; L75-V84 HydrophobicContact CD2-CG2 3.92Å; L75-V84 HydrophobicContact CG-CG2 4.45Å
76	R	91.6	Very high	94	Very high	216 Å²	216	85.8 Å²	85.8	82%	0.815	46%	0.46	S	S	*	.			trans	-82	-26.8	-178.4	-173.9	174.3	177.5	179.5	-0.4	112.3	I74	I74-R76 PolarHBondContact O-N 3.45Å
77	T	93.1	Very high	93.9	Very high	26 Å²	26	91 Å²	91	16%	0.16	49%	0.485	C	S	.	.	S	Bend	trans	-86.8	149.4	-174.4	71.8	0	0	0	0	110	Q52 S79 S80 G81	Q52-T77 PolarHBondContact OE1-OG1 3.31Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.49Å; T77-S80 PolarHBondContact N-OG 3.31Å; T77-S80 PolarHBondContact O-N 2.92Å; T77-S80 PolarHBondContact O-OG 3.39Å; T77-S80 WeakPolarHBondContact OG1-CB 3.41Å; T77-S80 PolarHBondContact OG1-N 2.86Å; T77-S80 PolarHBondContact OG1-OG 3.15Å; T77-G81 PolarHBondContact O-N 3Å
78	P	94.2	Very high	93.7	Very high	53 Å²	53	86.5 Å²	86.5	34%	0.344	46%	0.464	S	S	.	.	H	α-helix	trans	-59.6	-41.7	-177.5	22.2	-32.5	0	0	0	111.7	G81 L82 P88 I90	P78-G81 PolarHBondContact O-N 3.16Å; P78-L82 WeakPolarHBondContact O-CB 3.45Å; P78-L82 VanDerWaalsContact O-CG 3.23Å; P78-L82 WeakPolarHBondContact O-CG 3.33Å; P78-L82 PolarHBondContact O-N 3.4Å; P78-P88 HydrophobicContact CB-CB 3.89Å; P78-I90 HydrophobicContact CB-CD1 4.3Å
79	S	94.3	Very high	93.4	Very high	43 Å²	43	87.3 Å²	87.3	30%	0.301	46%	0.458	S	S	.	.	H	α-helix	trans	-63.6	-43.9	178.7	-50.3	0	0	0	0	112.8	T77 L82 V83	T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.49Å; S79-L82 PolarHBondContact O-N 3.45Å; S79-V83 WeakPolarHBondContact O-CG2 3.47Å; S79-V83 PolarHBondContact O-N 2.7Å; S79-V83 VanDerWaalsContact O-N 3.15Å
80	S	94.6	Very high	93.3	Very high	0 Å²	0	86.6 Å²	86.6	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-66.9	-40	178.1	57.5	0	0	0	0	112.2	S49 L75 T77 V83	S49-S80 WeakPolarHBondContact OG-CB 3.49Å; L75-S80 WeakPolarHBondContact CA-OG 3.42Å; T77-S80 PolarHBondContact N-OG 3.31Å; T77-S80 PolarHBondContact O-N 2.92Å; T77-S80 PolarHBondContact O-OG 3.39Å; T77-S80 WeakPolarHBondContact OG1-CB 3.41Å; T77-S80 PolarHBondContact OG1-N 2.86Å; T77-S80 PolarHBondContact OG1-OG 3.15Å; S80-V83 PolarHBondContact O-N 2.91Å
81	G	94.1	Very high	93.3	Very high	2 Å²	2	83.4 Å²	83.4	2%	0.021	45%	0.451	C	S	.	.	H	α-helix	trans	-61.1	-43.7	173.8	0	0	0	0	0	112.5	T77 P78 V83 V84 G85 R86	T77-G81 PolarHBondContact O-N 3Å; P78-G81 PolarHBondContact O-N 3.16Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-V83 PolarHBondContact O-N 2.87Å; G81-V84 WeakPolarHBondContact O-CG2 3.38Å; G81-V84 PolarHBondContact O-N 3.37Å; G81-G85 PolarHBondContact O-N 3.2Å; G81-G85 VanDerWaalsContact O-N 3.16Å; G81-R86 CarbonylContact C-O 3.56Å; G81-R86 PolarHBondContact O-N 3.1Å
82	L	94.8	Very high	93.4	Very high	117 Å²	117	86.3 Å²	86.3	61%	0.613	47%	0.467	S	S	*	.	H	α-helix	trans	-62.8	-39.1	178.4	-73.5	173.2	0	0	0	112.6	P78 S79 V84 G85	P78-L82 WeakPolarHBondContact O-CB 3.45Å; P78-L82 VanDerWaalsContact O-CG 3.23Å; P78-L82 WeakPolarHBondContact O-CG 3.33Å; P78-L82 PolarHBondContact O-N 3.4Å; S79-L82 PolarHBondContact O-N 3.45Å; L82-V84 PolarHBondContact O-N 3.37Å; L82-G85 PolarHBondContact O-N 3.22Å
83	V	94.1	Very high	93.3	Very high	86 Å²	86	78.8 Å²	78.8	52%	0.521	43%	0.434	S	S	.	.	H	α-helix	trans	-58	-35.4	178.1	169.2	0	0	0	0	112.1	L51 T55 S79 S80 G81	L51-V83 HydrophobicContact CD1-CG1 4.36Å; L51-V83 HydrophobicContact CD2-CG1 4.34Å; T55-V83 HydrophobicContact CG2-CG2 4Å; S79-V83 WeakPolarHBondContact O-CG2 3.47Å; S79-V83 PolarHBondContact O-N 2.7Å; S79-V83 VanDerWaalsContact O-N 3.15Å; S80-V83 PolarHBondContact O-N 2.91Å; G81-V83 VanDerWaalsContact C-N 3.35Å; G81-V83 PolarHBondContact O-N 2.87Å
84	V	94.2	Very high	93.2	Very high	78 Å²	78	81.4 Å²	81.4	47%	0.473	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.9	178.7	-58.3	0	0	0	0	113.7	L51 L75 G81 L82 R86	L51-V84 HydrophobicContact CD1-CG1 4.22Å; L75-V84 HydrophobicContact CD1-CG1 4.43Å; L75-V84 HydrophobicContact CD1-CG2 3.91Å; L75-V84 HydrophobicContact CD2-CG1 3.84Å; L75-V84 HydrophobicContact CD2-CG2 3.92Å; L75-V84 HydrophobicContact CG-CG2 4.45Å; G81-V84 WeakPolarHBondContact O-CG2 3.38Å; G81-V84 PolarHBondContact O-N 3.37Å; L82-V84 PolarHBondContact O-N 3.37Å; V84-R86 VanDerWaalsContact C-N 3.34Å; V84-R86 HydrophobicContact CG2-CB 3.82Å; V84-R86 PolarHBondContact O-N 3.46Å
85	G	94.6	Very high	93.2	Very high	70 Å²	70	80.1 Å²	80.1	72%	0.722	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	20.2	-177.3	0	0	0	0	0	114.9	G81 L82	G81-G85 PolarHBondContact O-N 3.2Å; G81-G85 VanDerWaalsContact O-N 3.16Å; L82-G85 PolarHBondContact O-N 3.22Å
86	R	92.6	Very high	93.2	Very high	126 Å²	126	83.2 Å²	83.2	48%	0.475	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-86.6	140.7	175.9	-175.5	179.7	174	92.4	9.4	110.6	G81 V84	G81-R86 CarbonylContact C-O 3.56Å; G81-R86 PolarHBondContact O-N 3.1Å; V84-R86 VanDerWaalsContact C-N 3.34Å; V84-R86 HydrophobicContact CG2-CB 3.82Å; V84-R86 PolarHBondContact O-N 3.46Å
87	L	92	Very high	93.3	Very high	122 Å²	122	80.1 Å²	80.1	64%	0.639	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-60.7	124.6	173.5	-172.6	73.9	0	0	0	110.7
88	P	91.7	Very high	93.3	Very high	31 Å²	31	86 Å²	86	20%	0.201	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-70.7	141.7	178.5	30.1	-35.6	0	0	0	111	P78 I90	P78-P88 HydrophobicContact CB-CB 3.89Å; P88-I90 HydrophobicContact CB-CG1 4.19Å; P88-I90 HydrophobicContact CG-CG1 4.36Å; P88-I90 PolarHBondContact O-N 3.29Å
89	R	91.1	Very high	93.1	Very high	140 Å²	140	93.4 Å²	93.4	53%	0.528	51%	0.51	S	S	.	.	S	Bend	trans	-80	51	-178.9	-64.7	-173.4	178.8	-85.1	6.5	112.9	G93	R89-G93 WeakPolarHBondContact CA-O 3.39Å
90	I	92.9	Very high	92.7	Very high	105 Å²	105	96 Å²	96	54%	0.538	53%	0.526	S	S	.	.	S	Bend	trans	-134.4	156	176.3	62.2	173.9	0	0	0	109.7	P78 P88 T92 G93	P78-I90 HydrophobicContact CB-CD1 4.3Å; P88-I90 HydrophobicContact CB-CG1 4.19Å; P88-I90 HydrophobicContact CG-CG1 4.36Å; P88-I90 PolarHBondContact O-N 3.29Å; I90-T92 PolarHBondContact O-N 3.24Å; I90-G93 PolarHBondContact O-N 3.15Å; I90-G93 VanDerWaalsContact O-N 3.1Å
91	G	94	Very high	92.2	Very high	64 Å²	64	104.1 Å²	104.1	66%	0.66	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	57.9	-123.2	-180	0	0	0	0	0	112.1	G93 C94	G91-G93 VanDerWaalsContact C-N 3.27Å; G91-G93 PolarHBondContact O-N 3.38Å; G91-C94 WeakPolarHBondContact O-CB 3.19Å; G91-C94 PolarHBondContact O-N 3.1Å; G91-C94 VanDerWaalsContact O-N 3.16Å
92	T	93.6	Very high	91.3	Very high	121 Å²	121	112.8 Å²	112.8	74%	0.742	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-65.1	-27.3	178.9	52.2	0	0	0	0	113.6	I90 C94	I90-T92 PolarHBondContact O-N 3.24Å; T92-C94 PolarHBondContact O-N 3.19Å
93	G	91.1	Very high	90.1	Very high	7 Å²	7	110.1 Å²	110.1	7%	0.072	59%	0.59	C	S	.	*	G	3₁₀ helix	trans	-81.7	4.6	175.9	0	0	0	0	0	114.2	R89 I90 G91 F95	R89-G93 WeakPolarHBondContact CA-O 3.39Å; I90-G93 PolarHBondContact O-N 3.15Å; I90-G93 VanDerWaalsContact O-N 3.1Å; G91-G93 VanDerWaalsContact C-N 3.27Å; G91-G93 PolarHBondContact O-N 3.38Å; G93-F95 VanDerWaalsContact C-N 3.27Å; G93-F95 PolarHBondContact O-N 2.75Å
94	C	93.1	Very high	88.5	Confident	90 Å²	90	109 Å²	109	61%	0.608	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-72.7	-19.4	-179.3	-168.6	0	0	0	0	113.1	G91 T92	G91-C94 WeakPolarHBondContact O-CB 3.19Å; G91-C94 PolarHBondContact O-N 3.1Å; G91-C94 VanDerWaalsContact O-N 3.16Å; T92-C94 PolarHBondContact O-N 3.19Å
95	F	93.6	Very high	86.9	Confident	129 Å²	129	110.6 Å²	110.6	57%	0.566	59%	0.586	S	S	*	*	S	Bend	trans	-135.4	152.9	-179.7	60.3	-89	0	0	0	110.7	G93 I97	G93-F95 VanDerWaalsContact C-N 3.27Å; G93-F95 PolarHBondContact O-N 2.75Å; F95-I97 HydrophobicContact CD2-CG1 4.07Å; F95-I97 HydrophobicContact CE2-CD1 4.12Å; F95-I97 HydrophobicContact CE2-CG1 3.76Å
96	D	92.7	Very high	85.2	Confident	121 Å²	121	114.6 Å²	114.6	65%	0.647	59%	0.586	S	S	*	*			trans	-98.1	135.2	174.5	-64.4	-51.1	0	0	0	109.1
97	I	92.5	Very high	83.4	Confident	151 Å²	151	114.3 Å²	114.3	77%	0.774	59%	0.59	S	S	*	*			trans	-92.1	113.9	174.4	-59.4	172.9	0	0	0	107.4	F95	F95-I97 HydrophobicContact CD2-CG1 4.07Å; F95-I97 HydrophobicContact CE2-CD1 4.12Å; F95-I97 HydrophobicContact CE2-CG1 3.76Å
98	L	92.9	Very high	81.5	Confident	150 Å²	150	116.3 Å²	116.3	79%	0.785	59%	0.589	S	S	*	*			trans	-100.6	132.9	177.1	-57.7	177.8	0	0	0	109.5
99	Y	91	Very high	79.9	Confident	209 Å²	209	118.2 Å²	118.2	82%	0.82	60%	0.6	S	S	*	*			trans	-83.7	129.6	169	-176	-98.3	0	0	0	109.1	F101	Y99-F101 PolarHBondContact O-N 2.82Å
100	P	86.4	Confident	78.4	Confident	98 Å²	98	117.1 Å²	117.1	64%	0.636	60%	0.601	S	S	*	*			trans	-65.4	108.7	176.5	26.8	-32.9	0	0	0	109.3	K102	P100-K102 PolarHBondContact O-N 3.3Å; P100-K102 VanDerWaalsContact O-N 3.09Å
101	F	83.3	Confident	76.9	Confident	169 Å²	169	117 Å²	117	74%	0.741	60%	0.601	S	S	*	*			trans	-71.2	103.9	170.3	-173.9	-105.7	0	0	0	108.2	Y99 S103	Y99-F101 PolarHBondContact O-N 2.82Å; F101-S103 PolarHBondContact O-N 2.83Å
102	K	75.8	Confident	75.4	Confident	185 Å²	185	117.9 Å²	117.9	80%	0.804	59%	0.585	S	S	*	*			trans	-70.7	113.9	160.2	-74.2	-175.6	178.6	179.9	0	106.1	P100 L104	P100-K102 PolarHBondContact O-N 3.3Å; P100-K102 VanDerWaalsContact O-N 3.09Å; K102-L104 PolarHBondContact O-N 2.91Å
103	S	69	Low	74	Confident	61 Å²	61	118.2 Å²	118.2	43%	0.427	58%	0.578	S	S	.	*			trans	-53	132	166.4	55.9	0	0	0	0	107.6	F101 D105	F101-S103 PolarHBondContact O-N 2.83Å; S103-D105 WeakPolarHBondContact CB-OD2 3.45Å; S103-D105 PolarHBondContact O-N 3.07Å; S103-D105 PolarHBondContact OG-OD2 3.41Å
104	L	60.9	Low	72.7	Confident	63 Å²	63	122.9 Å²	122.9	33%	0.33	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	26.4	179.1	-69.8	164.9	0	0	0	111.6	K102 H106 Q107 W108	K102-L104 PolarHBondContact O-N 2.91Å; L104-H106 PolarHBondContact O-N 3.3Å; L104-Q107 HydrophobicContact CD2-CB 3.86Å; L104-Q107 PolarHBondContact O-N 3Å; L104-W108 HydrophobicContact CB-CG 4.26Å; L104-W108 VanDerWaalsContact CB-NE1 3.28Å; L104-W108 HydrophobicContact CD1-CZ2 4.38Å; L104-W108 VanDerWaalsContact CD1-NE1 3.29Å; L104-W108 VanDerWaalsContact O-CD1 3.23Å; L104-W108 PolarHBondContact O-N 3.26Å
105	D	60.9	Low	71.3	Confident	110 Å²	110	123.2 Å²	123.2	59%	0.588	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-24.8	-177.1	-59.2	-26.2	0	0	0	111	S103 V109	S103-D105 WeakPolarHBondContact CB-OD2 3.45Å; S103-D105 PolarHBondContact O-N 3.07Å; S103-D105 PolarHBondContact OG-OD2 3.41Å; D105-V109 WeakPolarHBondContact O-CB 3.31Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å
106	H	57.6	Low	69.8	Low	155 Å²	155	119 Å²	119	72%	0.718	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-25.3	174.5	-81.2	-73.9	0	0	0	114.8	L104 Q110	L104-H106 PolarHBondContact O-N 3.3Å; H106-Q110 WeakPolarHBondContact O-CG 3.28Å; H106-Q110 PolarHBondContact O-N 3.06Å; H106-Q110 VanDerWaalsContact O-N 3.16Å
107	Q	54.4	Low	68.3	Low	120 Å²	120	121.4 Å²	121.4	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-84.2	-36.3	-179.5	-92.4	-179.1	-30.8	0	0	112.7	L104 V109 Q110 L111	L104-Q107 HydrophobicContact CD2-CB 3.86Å; L104-Q107 PolarHBondContact O-N 3Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-Q110 PolarHBondContact O-N 3.04Å; Q107-L111 WeakPolarHBondContact O-CB 3.48Å; Q107-L111 PolarHBondContact O-N 3.22Å
108	W	53.3	Low	66.8	Low	164 Å²	164	121.6 Å²	121.6	62%	0.621	58%	0.582	S	S	*	*	H	α-helix	trans	-70.1	-32.7	171.7	-67.9	114.8	0	0	0	111.8	L104 L111 Y112	L104-W108 HydrophobicContact CB-CG 4.26Å; L104-W108 VanDerWaalsContact CB-NE1 3.28Å; L104-W108 HydrophobicContact CD1-CZ2 4.38Å; L104-W108 VanDerWaalsContact CD1-NE1 3.29Å; L104-W108 VanDerWaalsContact O-CD1 3.23Å; L104-W108 PolarHBondContact O-N 3.26Å; W108-L111 HydrophobicContact CE3-CD1 4.36Å; W108-L111 PolarHBondContact O-N 3.35Å; W108-Y112 WeakPolarHBondContact O-CB 3.34Å; W108-Y112 PolarHBondContact O-N 3.26Å
109	V	58.7	Low	65	Low	70 Å²	70	118.4 Å²	118.4	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-66	-42.9	173.2	172.8	0	0	0	0	111	D105 Q107 Y112 E113	D105-V109 WeakPolarHBondContact O-CB 3.31Å; D105-V109 WeakPolarHBondContact O-CG2 3.32Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; V109-Y112 PolarHBondContact O-N 3.36Å; V109-E113 HydrophobicContact CG1-CG 4.4Å; V109-E113 WeakPolarHBondContact O-CB 3.37Å; V109-E113 WeakPolarHBondContact O-CG 3.45Å; V109-E113 PolarHBondContact O-N 2.69Å
110	Q	59.4	Low	63.3	Low	118 Å²	118	116.2 Å²	116.2	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-64.9	-41.7	174.3	-78.6	178.7	-23.7	0	0	113	H106 Q107 Y112 E113 I114	H106-Q110 WeakPolarHBondContact O-CG 3.28Å; H106-Q110 PolarHBondContact O-N 3.06Å; H106-Q110 VanDerWaalsContact O-N 3.16Å; Q107-Q110 PolarHBondContact O-N 3.04Å; Q110-Y112 VanDerWaalsContact C-N 3.34Å; Q110-E113 PolarHBondContact O-N 3.41Å; Q110-I114 WeakPolarHBondContact O-CB 3.14Å; Q110-I114 WeakPolarHBondContact O-CD1 3.46Å; Q110-I114 WeakPolarHBondContact O-CG1 3.49Å; Q110-I114 PolarHBondContact O-N 2.7Å
111	L	61.6	Low	61.8	Low	103 Å²	103	123 Å²	123	54%	0.539	58%	0.58	S	S	.	*	H	α-helix	trans	-66.2	-36.5	175.1	-80.4	166.4	0	0	0	112.1	Q107 W108 F115	Q107-L111 WeakPolarHBondContact O-CB 3.48Å; Q107-L111 PolarHBondContact O-N 3.22Å; W108-L111 HydrophobicContact CE3-CD1 4.36Å; W108-L111 PolarHBondContact O-N 3.35Å; L111-F115 VanDerWaalsContact O-CB 3.22Å; L111-F115 WeakPolarHBondContact O-CB 3.4Å; L111-F115 PolarHBondContact O-N 3.25Å
112	Y	62.3	Low	60.5	Low	82 Å²	82	118 Å²	118	32%	0.322	56%	0.563	S	S	.	*	H	α-helix	trans	-70	-40.4	175.6	-170.9	-96	0	0	0	111.8	W108 V109 Q110 F115 C116 C123 M126	W108-Y112 WeakPolarHBondContact O-CB 3.34Å; W108-Y112 PolarHBondContact O-N 3.26Å; V109-Y112 PolarHBondContact O-N 3.36Å; Q110-Y112 VanDerWaalsContact C-N 3.34Å; Y112-F115 PolarHBondContact O-N 3.43Å; Y112-C116 WeakPolarHBondContact O-CB 3.25Å; Y112-C116 PolarHBondContact O-N 3.46Å; Y112-C123 PolarHBondContact OH-O 3.15Å; Y112-C123 VanDerWaalsContact OH-O 3.04Å; Y112-M126 HydrophobicContact CE2-CB 4.35Å
113	E	62.8	Low	59.4	Low	127 Å²	127	110 Å²	110	59%	0.593	53%	0.531	S	S	*	.	H	α-helix	trans	-64.4	-42.7	174.7	-77.5	-177.8	173.2	0	0	112.1	V109 Q110 C116 H117	V109-E113 HydrophobicContact CG1-CG 4.4Å; V109-E113 WeakPolarHBondContact O-CB 3.37Å; V109-E113 WeakPolarHBondContact O-CG 3.45Å; V109-E113 PolarHBondContact O-N 2.69Å; Q110-E113 PolarHBondContact O-N 3.41Å; E113-C116 PolarHBondContact O-N 3.32Å; E113-H117 WeakPolarHBondContact O-CB 3.19Å; E113-H117 PolarHBondContact O-N 2.9Å
114	I	65	Low	58.7	Low	105 Å²	105	116.1 Å²	116.1	54%	0.538	55%	0.552	S	S	.	*	H	α-helix	trans	-63.1	-46.7	174.8	-68.3	163.8	0	0	0	110.6	Q110 C116 H117 E118	Q110-I114 WeakPolarHBondContact O-CB 3.14Å; Q110-I114 WeakPolarHBondContact O-CD1 3.46Å; Q110-I114 WeakPolarHBondContact O-CG1 3.49Å; Q110-I114 PolarHBondContact O-N 2.7Å; I114-C116 PolarHBondContact O-N 2.87Å; I114-H117 PolarHBondContact O-N 3.19Å; I114-E118 PolarHBondContact O-N 3.08Å
115	F	63.4	Low	58.4	Low	98 Å²	98	122.2 Å²	122.2	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-69.3	-33	-178.8	-162.3	-99.4	0	0	0	112.8	L111 Y112 N119	L111-F115 VanDerWaalsContact O-CB 3.22Å; L111-F115 WeakPolarHBondContact O-CB 3.4Å; L111-F115 PolarHBondContact O-N 3.25Å; Y112-F115 PolarHBondContact O-N 3.43Å; F115-N119 PolarHBondContact O-N 3.34Å; F115-N119 VanDerWaalsContact O-N 3.13Å
116	C	61	Low	58.1	Low	39 Å²	39	123.4 Å²	123.4	26%	0.264	58%	0.58	S	S	.	*	H	α-helix	trans	-78.3	-24.9	179.2	-151.2	0	0	0	0	112.8	Y112 E113 I114 C123	Y112-C116 WeakPolarHBondContact O-CB 3.25Å; Y112-C116 PolarHBondContact O-N 3.46Å; E113-C116 PolarHBondContact O-N 3.32Å; I114-C116 PolarHBondContact O-N 2.87Å; C116-C123 WeakPolarHBondContact CA-SG 3.49Å; C116-C123 HydrophobicContact CB-CB 4.4Å; C116-C123 WeakPolarHBondContact CB-SG 3.22Å; C116-C123 WeakPolarHBondContact SG-CB 3.14Å; C116-C123 CovalentContact SG-SG 2.03Å; C116-C123 PolarHBondContact SG-SG 3.45Å
117	H	61.3	Low	57.6	Low	173 Å²	173	122.9 Å²	122.9	80%	0.801	58%	0.581	S	S	*	*	H	α-helix	trans	-77.6	-30.6	174.1	-153.1	-77.9	0	0	0	113	E113 I114	E113-H117 WeakPolarHBondContact O-CB 3.19Å; E113-H117 PolarHBondContact O-N 2.9Å; I114-H117 PolarHBondContact O-N 3.19Å
118	E	62.5	Low	57.1	Low	155 Å²	155	126 Å²	126	72%	0.724	59%	0.593	S	S	*	*	H	α-helix	trans	-85.1	-23.7	174.5	-80.9	-174.5	152.9	0	0	113.8	I114	I114-E118 PolarHBondContact O-N 3.08Å
119	N	53.8	Low	56.6	Low	83 Å²	83	131.8 Å²	131.8	44%	0.444	62%	0.623	S	S	.	*			trans	-141.8	86	-177.9	-92.1	-59	0	0	0	113	F115 R121 T122	F115-N119 PolarHBondContact O-N 3.34Å; F115-N119 VanDerWaalsContact O-N 3.13Å; N119-R121 PolarHBondContact O-N 3.01Å; N119-T122 WeakPolarHBondContact CB-OG1 3.28Å; N119-T122 PolarHBondContact O-N 3.19Å; N119-T122 PolarHBondContact O-OG1 3.09Å
120	L	56.7	Low	56.5	Low	163 Å²	163	134.9 Å²	134.9	85%	0.853	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-11.5	173.3	-81.6	154.5	0	0	0	115
121	R	55	Low	56.4	Low	239 Å²	239	135.8 Å²	135.8	90%	0.902	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-10.7	-173.5	-69.9	-170.8	-176.8	-140.3	1.8	115.4	N119	N119-R121 PolarHBondContact O-N 3.01Å
122	T	54.3	Low	56.1	Low	65 Å²	65	137.6 Å²	137.6	40%	0.399	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.5	-10.6	-171.1	23.7	0	0	0	0	115.4	N119 H124 K125	N119-T122 WeakPolarHBondContact CB-OG1 3.28Å; N119-T122 PolarHBondContact O-N 3.19Å; N119-T122 PolarHBondContact O-OG1 3.09Å; T122-H124 PolarHBondContact O-N 3.44Å; T122-H124 VanDerWaalsContact O-N 3.13Å; T122-K125 PolarHBondContact O-N 3.31Å
123	C	53.5	Low	55.7	Low	18 Å²	18	140.9 Å²	140.9	12%	0.122	66%	0.662	C	S	.	*	G	3₁₀ helix	trans	-64.6	-22.6	-172.7	-54.7	0	0	0	0	114.5	Y112 C116 K125	Y112-C123 PolarHBondContact OH-O 3.15Å; Y112-C123 VanDerWaalsContact OH-O 3.04Å; C116-C123 WeakPolarHBondContact CA-SG 3.49Å; C116-C123 HydrophobicContact CB-CB 4.4Å; C116-C123 WeakPolarHBondContact CB-SG 3.22Å; C116-C123 WeakPolarHBondContact SG-CB 3.14Å; C116-C123 CovalentContact SG-SG 2.03Å; C116-C123 PolarHBondContact SG-SG 3.45Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.03Å
124	H	55.2	Low	55.3	Low	188 Å²	188	141.8 Å²	141.8	87%	0.87	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.4	-6.6	-179.1	-109.7	18.7	0	0	0	115.6	T122	T122-H124 PolarHBondContact O-N 3.44Å; T122-H124 VanDerWaalsContact O-N 3.13Å
125	K	54.6	Low	54.6	Low	192 Å²	192	144.2 Å²	144.2	84%	0.835	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-101.3	-8	-176.1	-78.6	-173	176.6	-179.1	0	115.8	T122 C123	T122-K125 PolarHBondContact O-N 3.31Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.03Å
126	M	53.4	Low	54	Low	135 Å²	135	147.5 Å²	147.5	67%	0.665	69%	0.692	S	S	*	*	S	Bend	trans	-96.6	-9	-172.6	-106.2	177.1	173.6	0	0	115.6	Y112 K128	Y112-M126 HydrophobicContact CE2-CB 4.35Å; M126-K128 VanDerWaalsContact C-N 3.27Å; M126-K128 PolarHBondContact O-N 3.42Å
127	L	48.1	Very low	53.5	Low	143 Å²	143	155.8 Å²	155.8	75%	0.749	73%	0.725	S	S	*	*			trans	-86.5	28.2	-176.6	-92.7	152.5	0	0	0	114.7
128	K	43.4	Very low	52.8	Low	186 Å²	186	154.4 Å²	154.4	81%	0.809	72%	0.719	S	S	*	*			trans	-126.3	74.5	175.3	-79.8	-168.8	175.3	-174.7	0	111.1	M126	M126-K128 VanDerWaalsContact C-N 3.27Å; M126-K128 PolarHBondContact O-N 3.42Å
129	F	43.3	Very low	51.9	Low	286 Å²	286	154.4 Å²	154.4	100%	1.254	72%	0.718	S	S	*	*			trans	-150.9	0	153.6	-84.9	-71.8	0	0	0	109

Retrieved 129 of 129 residues in 245.4 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).