A0A077ZG38_TRITR Loading...

LIM and Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	70.2	Confident	232 Å²	232	96.7 Å²	96.7	100%	1.143	58%	0.581	S	S	*	*				0	101.6	0	-71.5	169.6	166.5	0	0	107.5	M3	M1-M3 PolarHBondContact O-N 3.15Å; M1-M3 VanDerWaalsContact O-N 3.11Å
2	S	42.4	Very low	72.1	Confident	120 Å²	120	92.3 Å²	92.3	84%	0.839	56%	0.557	S	S	*	*			trans	-70.2	104.7	-179.5	-52.1	0	0	0	0	108.6	T4	S2-T4 VanDerWaalsContact C-N 3.35Å; S2-T4 PolarHBondContact O-N 3.07Å
3	M	44	Very low	73.5	Confident	172 Å²	172	95.4 Å²	95.4	85%	0.847	57%	0.569	S	S	*	*			trans	-70.9	94.5	174.3	-65.1	-144.1	177.1	0	0	108.4	M1 T5	M1-M3 PolarHBondContact O-N 3.15Å; M1-M3 VanDerWaalsContact O-N 3.11Å; M3-T5 PolarHBondContact O-N 3.36Å
4	T	55	Low	74.8	Confident	118 Å²	118	101.4 Å²	101.4	72%	0.724	58%	0.576	S	S	*	*			trans	-60.7	106.2	164.1	45.9	0	0	0	0	107.1	S2 T6	S2-T4 VanDerWaalsContact C-N 3.35Å; S2-T4 PolarHBondContact O-N 3.07Å; T4-T6 VanDerWaalsContact C-N 3.32Å; T4-T6 PolarHBondContact O-N 3.04Å
5	T	62.1	Low	75.9	Confident	133 Å²	133	97.5 Å²	97.5	82%	0.816	56%	0.557	S	S	*	*			trans	-63.7	92.7	175.6	49.6	0	0	0	0	108.6	M3 T7	M3-T5 PolarHBondContact O-N 3.36Å; T5-T7 PolarHBondContact O-N 2.97Å
6	T	76.4	Confident	76.9	Confident	73 Å²	73	92.6 Å²	92.6	45%	0.448	53%	0.528	S	S	.	.			trans	-73.5	114.8	177.4	51.2	0	0	0	0	109.1	T4 T8 Y17	T4-T6 VanDerWaalsContact C-N 3.32Å; T4-T6 PolarHBondContact O-N 3.04Å; T6-T8 PolarHBondContact O-N 3.35Å; T6-Y17 HydrophobicContact CG2-CE1 4.48Å
7	T	87.4	Confident	77.6	Confident	55 Å²	55	97.9 Å²	97.9	34%	0.337	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-60.8	122.3	174.7	-50.7	0	0	0	0	110.9	T5 P15 I16 L21 L28	T5-T7 PolarHBondContact O-N 2.97Å; T7-P15 CarbonylContact O-C 3.6Å; T7-P15 WeakPolarHBondContact O-CA 3.11Å; T7-I16 HydrophobicContact CG2-CD1 4.24Å; T7-I16 PolarHBondContact O-N 2.95Å; T7-L21 HydrophobicContact CG2-CD2 4.5Å; T7-L28 HydrophobicContact CG2-CB 3.73Å; T7-L28 HydrophobicContact CG2-CD1 3.11Å; T7-L28 HydrophobicContact CG2-CG 3.96Å
8	T	92.7	Very high	78.1	Confident	85 Å²	85	96.9 Å²	96.9	52%	0.521	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-95.4	141.8	179.2	50.2	0	0	0	0	112.4	T6	T6-T8 PolarHBondContact O-N 3.35Å
9	C	93.5	Very high	78.6	Confident	0 Å²	0	101.8 Å²	101.8	0%	0	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-77.3	122.8	176.9	177.8	0	0	0	0	111.1	G11 C12 D13 R14 I16 L28 H30 C33	C9-G11 PolarHBondContact O-N 3.27Å; C9-G11 VanDerWaalsContact O-N 3.13Å; C9-G11 PolarHBondContact SG-N 2.64Å; C9-G11 VanDerWaalsContact SG-N 3.39Å; C9-C12 PolarHBondContact O-N 2.83Å; C9-C12 VanDerWaalsContact SG-SG 3.7Å; C9-D13 VanDerWaalsContact O-CA 3.22Å; C9-D13 WeakPolarHBondContact O-CA 3.38Å; C9-D13 PolarHBondContact O-N 3.08Å; C9-R14 WeakPolarHBondContact CB-O 3.35Å; C9-R14 PolarHBondContact N-O 3.13Å; C9-I16 HydrophobicContact CB-CD1 4.03Å; C9-I16 HydrophobicContact CB-CG1 3.75Å; C9-L28 CarbonylContact C-O 3.58Å; C9-L28 WeakPolarHBondContact CA-O 3.1Å; C9-H30 WeakPolarHBondContact CB-CE1 3.31Å; C9-H30 VanDerWaalsContact CB-ND1 3.35Å; C9-H30 WeakPolarHBondContact CB-ND1 3.45Å; C9-H30 PolarHBondContact SG-N 3.05Å; C9-H30 VanDerWaalsContact SG-N 3.4Å; C9-H30 PolarHBondContact SG-ND1 3.14Å; C9-C33 VanDerWaalsContact SG-SG 3.61Å
10	A	90.4	Very high	79	Confident	34 Å²	34	102.6 Å²	102.6	28%	0.281	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.3	178.9	0	0	0	0	0	115.1	K27 L28 W29	A10-K27 HydrophobicContact CB-CB 3.74Å; A10-K27 HydrophobicContact CB-CD 3.89Å; A10-K27 HydrophobicContact CB-CG 4.06Å; A10-L28 PolarHBondContact N-O 3.3Å; A10-W29 HydrophobicContact CB-CD2 4.24Å; A10-W29 HydrophobicContact CB-CH2 4.12Å; A10-W29 HydrophobicContact CB-CZ2 3.69Å
11	G	88.7	Confident	79.5	Confident	42 Å²	42	99.8 Å²	99.8	43%	0.433	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-24.5	177.7	0	0	0	0	0	114.8	C9	C9-G11 PolarHBondContact O-N 3.27Å; C9-G11 VanDerWaalsContact O-N 3.13Å; C9-G11 PolarHBondContact SG-N 2.64Å; C9-G11 VanDerWaalsContact SG-N 3.39Å
12	C	92.3	Very high	81.8	Confident	44 Å²	44	90.7 Å²	90.7	30%	0.297	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	1.7	-177.3	68	0	0	0	0	114.4	C9 R14 H30 C33	C9-C12 PolarHBondContact O-N 2.83Å; C9-C12 VanDerWaalsContact SG-SG 3.7Å; C12-R14 PolarHBondContact O-N 3.31Å; C12-H30 PolarHBondContact SG-CE1 2.85Å; C12-H30 PolarHBondContact SG-ND1 2.7Å; C12-C33 VanDerWaalsContact SG-SG 3.62Å
13	D	91.3	Very high	84.1	Confident	132 Å²	132	89.9 Å²	89.9	71%	0.706	46%	0.456	S	S	*	.			trans	57.4	12	180	-56.3	-49.1	0	0	0	115.7	C9	C9-D13 VanDerWaalsContact O-CA 3.22Å; C9-D13 WeakPolarHBondContact O-CA 3.38Å; C9-D13 PolarHBondContact O-N 3.08Å
14	R	91.6	Very high	86.2	Confident	179 Å²	179	81.9 Å²	81.9	68%	0.675	42%	0.416	S	S	*	.			trans	-89.5	149.8	175.3	-63.9	179	-170	-135.5	0.8	111.3	C9 C12	C9-R14 WeakPolarHBondContact CB-O 3.35Å; C9-R14 PolarHBondContact N-O 3.13Å; C12-R14 PolarHBondContact O-N 3.31Å
15	P	91.4	Very high	87.6	Confident	44 Å²	44	80.4 Å²	80.4	29%	0.286	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-61.5	138.8	173.1	26.4	-35.1	0	0	0	111.3	T7 Y17	T7-P15 CarbonylContact O-C 3.6Å; T7-P15 WeakPolarHBondContact O-CA 3.11Å; P15-Y17 HydrophobicContact CB-CE1 4.44Å; P15-Y17 HydrophobicContact CB-CE2 3.84Å; P15-Y17 HydrophobicContact CG-CD2 4.41Å; P15-Y17 HydrophobicContact CG-CE2 3.49Å; P15-Y17 VanDerWaalsContact CG-CE2 3.49Å
16	I	91	Very high	88.7	Confident	18 Å²	18	80.4 Å²	80.4	9%	0.092	40%	0.398	C	S	.	.			trans	-89.5	110.8	178.6	-55.9	172.8	0	0	0	108.7	T7 C9 D18 L21 L28	T7-I16 HydrophobicContact CG2-CD1 4.24Å; T7-I16 PolarHBondContact O-N 2.95Å; C9-I16 HydrophobicContact CB-CD1 4.03Å; C9-I16 HydrophobicContact CB-CG1 3.75Å; I16-D18 HydrophobicContact CG2-CB 4.12Å; I16-L21 HydrophobicContact CD1-CB 4.47Å; I16-L21 HydrophobicContact CG2-CB 4.03Å; I16-L28 HydrophobicContact CD1-CB 3.89Å
17	Y	88.9	Confident	89.2	Confident	183 Å²	183	82.5 Å²	82.5	72%	0.718	40%	0.402	S	S	*	.			trans	-105	0.9	171.8	-58	-68.2	0	0	0	112.9	T6 P15	T6-Y17 HydrophobicContact CG2-CE1 4.48Å; P15-Y17 HydrophobicContact CB-CE1 4.44Å; P15-Y17 HydrophobicContact CB-CE2 3.84Å; P15-Y17 HydrophobicContact CG-CD2 4.41Å; P15-Y17 HydrophobicContact CG-CE2 3.49Å; P15-Y17 VanDerWaalsContact CG-CE2 3.49Å
18	D	86.4	Confident	89.4	Confident	81 Å²	81	82.2 Å²	82.2	43%	0.433	40%	0.398	S	S	.	.			trans	-62.4	141.6	179.6	-67.5	-12.6	0	0	0	110.9	I16 Y20 H30	I16-D18 HydrophobicContact CG2-CB 4.12Å; D18-Y20 WeakPolarHBondContact CB-O 3.29Å; D18-Y20 PolarHBondContact O-N 2.97Å; D18-H30 IonicContact OD2-CD2 3.32Å; D18-H30 PolarHBondContact OD2-CD2 3.1Å; D18-H30 IonicContact OD2-CG 2.78Å
19	R	88.7	Confident	89.4	Confident	190 Å²	190	79.2 Å²	79.2	72%	0.717	38%	0.377	S	S	*	.	S	Bend	trans	-56.4	-31.7	173.2	-179.3	175.6	179.6	175.8	2.1	112.4
20	Y	86.5	Confident	89.3	Confident	117 Å²	117	80.1 Å²	80.1	46%	0.459	38%	0.381	S	S	.	.	S	Bend	trans	-125.3	131.8	179.5	-56.7	-72.7	0	0	0	109.6	D18	D18-Y20 WeakPolarHBondContact CB-O 3.29Å; D18-Y20 PolarHBondContact O-N 2.97Å
21	L	89.1	Confident	89.2	Confident	43 Å²	43	79 Å²	79	23%	0.225	37%	0.373	C	S	.	.			trans	-121.3	155.9	174.1	61.4	73.6	0	0	0	110.4	T7 I16 L28	T7-L21 HydrophobicContact CG2-CD2 4.5Å; I16-L21 HydrophobicContact CD1-CB 4.47Å; I16-L21 HydrophobicContact CG2-CB 4.03Å; L21-L28 HydrophobicContact CD1-CD2 3.64Å
22	Y	88.7	Confident	89.3	Confident	41 Å²	41	80.2 Å²	80.2	16%	0.161	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.6	173.9	-71.2	-83.8	0	0	0	109.8	L28 W29 G31 I34 L159	Y22-L28 WeakPolarHBondContact O-CA 3.44Å; Y22-W29 PolarHBondContact N-O 3.49Å; Y22-W29 PolarHBondContact O-N 3.38Å; Y22-G31 VanDerWaalsContact CD2-CA 3.49Å; Y22-G31 VanDerWaalsContact CE2-CA 3.4Å; Y22-I34 HydrophobicContact CD2-CG2 4.21Å; Y22-I34 HydrophobicContact CE2-CG2 4.4Å; Y22-I34 HydrophobicContact CG-CD1 4.4Å; Y22-L159 HydrophobicContact CD1-CB 4.15Å; Y22-L159 HydrophobicContact CD1-CD2 3.58Å; Y22-L159 HydrophobicContact CD1-CG 4.34Å; Y22-L159 HydrophobicContact CE1-CD2 4.49Å; Y22-L159 HydrophobicContact CG-CD2 4.11Å
23	R	89.9	Confident	89.3	Confident	104 Å²	104	79.3 Å²	79.3	39%	0.392	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.4	169.9	-173.9	176.4	172.4	-174	3.8	109.7	L25 D26 K27 L28	R23-L25 PolarHBondContact NE-O 3.42Å; R23-L25 VanDerWaalsContact NE-O 3.1Å; R23-D26 IonicContact CZ-OD1 2.79Å; R23-D26 IonicContact NH2-OD1 3.5Å; R23-D26 PolarHBondContact NH2-OD1 3.47Å; R23-K27 WeakPolarHBondContact CA-O 3.5Å; R23-L28 HydrophobicContact CB-CD2 3.8Å; R23-L28 HydrophobicContact CG-CD2 3.9Å
24	V	87.7	Confident	89.3	Confident	3 Å²	3	73 Å²	73	2%	0.018	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.2	176.5	-173.7	0	0	0	0	108.2	D26 K27 I34 T49 V157 L159	V24-D26 PolarHBondContact O-N 3.2Å; V24-D26 VanDerWaalsContact O-N 3.09Å; V24-K27 PolarHBondContact N-O 2.98Å; V24-K27 PolarHBondContact O-N 2.89Å; V24-I34 HydrophobicContact CG2-CD1 3.75Å; V24-T49 HydrophobicContact CG1-CG2 3.38Å; V24-V157 HydrophobicContact CG1-CG2 3.84Å; V24-L159 HydrophobicContact CG2-CD2 3.5Å; V24-L159 VanDerWaalsContact CG2-CD2 3.5Å
25	L	85.3	Confident	89.4	Confident	87 Å²	87	66.2 Å²	66.2	46%	0.455	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	-110.9	-166.3	-58.8	165.3	0	0	0	109.3	R23 T49 T155 V157	R23-L25 PolarHBondContact NE-O 3.42Å; R23-L25 VanDerWaalsContact NE-O 3.1Å; L25-T49 VanDerWaalsContact CD1-OG1 3.29Å; L25-T49 WeakPolarHBondContact CD1-OG1 3.28Å; L25-T155 HydrophobicContact CD2-CG2 4.14Å; L25-V157 HydrophobicContact CD2-CG1 3.47Å; L25-V157 VanDerWaalsContact CD2-CG1 3.47Å; L25-V157 HydrophobicContact CG-CG1 4.02Å
26	D	83.8	Confident	89.5	Confident	133 Å²	133	64.1 Å²	64.1	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	19.8	179	-62.6	-53.4	0	0	0	113	R23 V24	R23-D26 IonicContact CZ-OD1 2.79Å; R23-D26 IonicContact NH2-OD1 3.5Å; R23-D26 PolarHBondContact NH2-OD1 3.47Å; V24-D26 PolarHBondContact O-N 3.2Å; V24-D26 VanDerWaalsContact O-N 3.09Å
27	K	88.3	Confident	89.6	Confident	118 Å²	118	67.8 Å²	67.8	51%	0.513	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.9	177.2	-70	176.4	-177.1	-70.9	0	110.6	A10 R23 V24 W29	A10-K27 HydrophobicContact CB-CB 3.74Å; A10-K27 HydrophobicContact CB-CD 3.89Å; A10-K27 HydrophobicContact CB-CG 4.06Å; R23-K27 WeakPolarHBondContact CA-O 3.5Å; V24-K27 PolarHBondContact N-O 2.98Å; V24-K27 PolarHBondContact O-N 2.89Å; K27-W29 HydrophobicContact CB-CZ2 4.41Å; K27-W29 HydrophobicContact CD-CZ2 4.42Å
28	L	91.3	Very high	89.8	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140	-175.8	-60.8	164	0	0	0	108.6	T7 C9 A10 I16 L21 Y22 R23	T7-L28 HydrophobicContact CG2-CB 3.73Å; T7-L28 HydrophobicContact CG2-CD1 3.11Å; T7-L28 HydrophobicContact CG2-CG 3.96Å; C9-L28 CarbonylContact C-O 3.58Å; C9-L28 WeakPolarHBondContact CA-O 3.1Å; A10-L28 PolarHBondContact N-O 3.3Å; I16-L28 HydrophobicContact CD1-CB 3.89Å; L21-L28 HydrophobicContact CD1-CD2 3.64Å; Y22-L28 WeakPolarHBondContact O-CA 3.44Å; R23-L28 HydrophobicContact CB-CD2 3.8Å; R23-L28 HydrophobicContact CG-CD2 3.9Å
29	W	91.7	Very high	90.2	Very high	21 Å²	21	60.9 Å²	60.9	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.2	-168.7	-57.6	77.4	0	0	0	110.4	A10 Y22 K27 C33 I54	A10-W29 HydrophobicContact CB-CD2 4.24Å; A10-W29 HydrophobicContact CB-CH2 4.12Å; A10-W29 HydrophobicContact CB-CZ2 3.69Å; Y22-W29 PolarHBondContact N-O 3.49Å; Y22-W29 PolarHBondContact O-N 3.38Å; K27-W29 HydrophobicContact CB-CZ2 4.41Å; K27-W29 HydrophobicContact CD-CZ2 4.42Å; W29-C33 HydrophobicContact CE3-CB 4.32Å; W29-I54 HydrophobicContact CD2-CD1 3.82Å; W29-I54 HydrophobicContact CE3-CD1 3.77Å; W29-I54 HydrophobicContact CH2-CD1 3.68Å; W29-I54 HydrophobicContact CH2-CG1 4Å; W29-I54 HydrophobicContact CZ2-CD1 3.7Å; W29-I54 HydrophobicContact CZ2-CG1 4.18Å; W29-I54 HydrophobicContact CZ3-CD1 3.69Å; W29-I54 HydrophobicContact CZ3-CG1 4.33Å
30	H	91.9	Very high	90.4	Very high	19 Å²	19	57.2 Å²	57.2	9%	0.088	29%	0.289	C	S	.	.			trans	-62.7	151.4	162.7	-60.9	115.8	0	0	0	110.1	C9 C12 D18 S32 C33 I34	C9-H30 WeakPolarHBondContact CB-CE1 3.31Å; C9-H30 VanDerWaalsContact CB-ND1 3.35Å; C9-H30 WeakPolarHBondContact CB-ND1 3.45Å; C9-H30 PolarHBondContact SG-N 3.05Å; C9-H30 VanDerWaalsContact SG-N 3.4Å; C9-H30 PolarHBondContact SG-ND1 3.14Å; C12-H30 PolarHBondContact SG-CE1 2.85Å; C12-H30 PolarHBondContact SG-ND1 2.7Å; D18-H30 IonicContact OD2-CD2 3.32Å; D18-H30 PolarHBondContact OD2-CD2 3.1Å; D18-H30 IonicContact OD2-CG 2.78Å; H30-S32 PolarHBondContact O-N 3.15Å; H30-C33 HydrophobicContact CB-CB 3.99Å; H30-C33 PolarHBondContact ND1-SG 3.44Å; H30-C33 PolarHBondContact O-N 2.95Å; H30-I34 PolarHBondContact O-N 2.76Å
31	G	88.9	Confident	90.6	Very high	12 Å²	12	54 Å²	54	12%	0.124	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.4	171.5	0	0	0	0	0	114	Y22 R42	Y22-G31 VanDerWaalsContact CD2-CA 3.49Å; Y22-G31 VanDerWaalsContact CE2-CA 3.4Å; G31-R42 VanDerWaalsContact C-NH2 3.3Å; G31-R42 PolarHBondContact O-NH2 3.35Å
32	S	90.2	Very high	90.8	Very high	66 Å²	66	58.8 Å²	58.8	46%	0.462	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.2	172.1	53	0	0	0	0	113.6	H30	H30-S32 PolarHBondContact O-N 3.15Å
33	C	91.8	Very high	90.9	Very high	25 Å²	25	57.5 Å²	57.5	17%	0.169	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.7	-178.5	-68.2	0	0	0	0	113.1	C9 C12 W29 H30 V35	C9-C33 VanDerWaalsContact SG-SG 3.61Å; C12-C33 VanDerWaalsContact SG-SG 3.62Å; W29-C33 HydrophobicContact CE3-CB 4.32Å; H30-C33 HydrophobicContact CB-CB 3.99Å; H30-C33 PolarHBondContact ND1-SG 3.44Å; H30-C33 PolarHBondContact O-N 2.95Å; C33-V35 VanDerWaalsContact C-N 3.27Å; C33-V35 PolarHBondContact O-N 2.95Å
34	I	91.4	Very high	90.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.			trans	-83	74.1	178.4	-158.8	169.2	0	0	0	111.6	Y22 V24 H30 L43 I54 L159	Y22-I34 HydrophobicContact CD2-CG2 4.21Å; Y22-I34 HydrophobicContact CE2-CG2 4.4Å; Y22-I34 HydrophobicContact CG-CD1 4.4Å; V24-I34 HydrophobicContact CG2-CD1 3.75Å; H30-I34 PolarHBondContact O-N 2.76Å; I34-L43 HydrophobicContact CG1-CB 4.33Å; I34-L43 PolarHBondContact O-N 2.99Å; I34-I54 HydrophobicContact CG1-CD1 4.01Å; I34-I54 HydrophobicContact CG1-CG2 4.47Å; I34-L159 HydrophobicContact CD1-CD1 3.86Å; I34-L159 HydrophobicContact CD1-CD2 3.25Å; I34-L159 HydrophobicContact CD1-CG 4.2Å
35	V	93.7	Very high	90.3	Very high	37 Å²	37	62 Å²	62	22%	0.224	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-116	152.6	-179.6	-65.8	0	0	0	0	111.1	C33 A41 R42	C33-V35 VanDerWaalsContact C-N 3.27Å; C33-V35 PolarHBondContact O-N 2.95Å; V35-A41 CarbonylContact C-O 3.6Å; V35-A41 WeakPolarHBondContact CA-O 3.36Å; V35-R42 HydrophobicContact CG1-CG 4.05Å
36	C	94.8	Very high	90.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.			trans	-71.4	129.4	170.9	179	0	0	0	0	110.6	V38 C39 Q40 A41 L43 I54 C56 D59	C36-V38 PolarHBondContact O-N 2.88Å; C36-V38 PolarHBondContact SG-N 2.81Å; C36-V38 VanDerWaalsContact SG-N 3.43Å; C36-C39 WeakPolarHBondContact CB-SG 3.45Å; C36-Q40 WeakPolarHBondContact O-CA 3.28Å; C36-Q40 PolarHBondContact O-N 2.85Å; C36-Q40 PolarHBondContact O-NE2 2.99Å; C36-A41 PolarHBondContact N-O 3.16Å; C36-L43 HydrophobicContact CB-CD1 4.38Å; C36-I54 WeakPolarHBondContact CA-O 3.45Å; C36-C56 HydrophobicContact CB-CB 3.92Å; C36-C56 PolarHBondContact SG-N 3.26Å; C36-D59 PolarHBondContact SG-OD2 3.48Å; C36-D59 VanDerWaalsContact SG-OD2 3.35Å
37	E	93.2	Very high	90.8	Very high	94 Å²	94	58 Å²	58	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.7	176.5	-175.9	68.6	178.5	0	0	114	Q40 I54 Y55	E37-Q40 PolarHBondContact O-NE2 3.29Å; E37-Q40 VanDerWaalsContact O-NE2 3.09Å; E37-I54 WeakPolarHBondContact CB-O 3.49Å; E37-I54 PolarHBondContact N-O 2.78Å; E37-Y55 HydrophobicContact CB-CD1 4.3Å; E37-Y55 HydrophobicContact CB-CE1 3.96Å; E37-Y55 HydrophobicContact CG-CE1 4.39Å
38	V	92.6	Very high	90.9	Very high	54 Å²	54	53 Å²	53	33%	0.327	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-56.2	-172.1	-175.1	0	0	0	0	111.9	C36 Y55 D59	C36-V38 PolarHBondContact O-N 2.88Å; C36-V38 PolarHBondContact SG-N 2.81Å; C36-V38 VanDerWaalsContact SG-N 3.43Å; V38-Y55 HydrophobicContact CG2-CD1 3.85Å; V38-Y55 HydrophobicContact CG2-CE1 3.88Å; V38-D59 HydrophobicContact CB-CB 3.94Å; V38-D59 HydrophobicContact CG1-CB 4.32Å; V38-D59 HydrophobicContact CG2-CB 4.03Å
39	C	94.3	Very high	90.9	Very high	65 Å²	65	51.8 Å²	51.8	44%	0.439	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.7	-177.7	60.1	0	0	0	0	114.2	C36 A41 D59	C36-C39 WeakPolarHBondContact CB-SG 3.45Å; C39-A41 PolarHBondContact O-N 3.19Å; C39-D59 WeakPolarHBondContact CB-OD2 3.47Å; C39-D59 PolarHBondContact SG-OD2 2.95Å
40	Q	93.3	Very high	90.9	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	29%	0.285	S	S	.	.			trans	57.9	13.3	-177.3	-59.2	-64.1	-35.1	0	0	114.6	C36 E37	C36-Q40 WeakPolarHBondContact O-CA 3.28Å; C36-Q40 PolarHBondContact O-N 2.85Å; C36-Q40 PolarHBondContact O-NE2 2.99Å; E37-Q40 PolarHBondContact O-NE2 3.29Å; E37-Q40 VanDerWaalsContact O-NE2 3.09Å
41	A	92	Very high	90.6	Very high	48 Å²	48	60.7 Å²	60.7	40%	0.397	31%	0.314	S	S	.	.			trans	-69.8	138.2	175.7	0	0	0	0	0	111	V35 C36 C39	V35-A41 CarbonylContact C-O 3.6Å; V35-A41 WeakPolarHBondContact CA-O 3.36Å; C36-A41 PolarHBondContact N-O 3.16Å; C39-A41 PolarHBondContact O-N 3.19Å
42	R	91.9	Very high	90.4	Very high	145 Å²	145	62.9 Å²	62.9	55%	0.547	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-67.9	137.8	174	-62.9	178	71.1	126.8	-2.3	110.5	G31 V35	G31-R42 VanDerWaalsContact C-NH2 3.3Å; G31-R42 PolarHBondContact O-NH2 3.35Å; V35-R42 HydrophobicContact CG1-CG 4.05Å
43	L	90.9	Very high	90.3	Very high	14 Å²	14	66 Å²	66	7%	0.073	34%	0.337	C	S	.	.			trans	-114	93.1	-174.4	-59.5	173.4	0	0	0	110.5	I34 C36 C47 I54 C56	I34-L43 HydrophobicContact CG1-CB 4.33Å; I34-L43 PolarHBondContact O-N 2.99Å; C36-L43 HydrophobicContact CB-CD1 4.38Å; L43-C47 HydrophobicContact CB-CB 4.22Å; L43-C47 HydrophobicContact CD1-CB 3.62Å; L43-I54 HydrophobicContact CD1-CG2 3.52Å; L43-C56 HydrophobicContact CD2-CB 3.62Å
44	D	82.7	Confident	90.3	Very high	105 Å²	105	65.1 Å²	65.1	56%	0.561	33%	0.331	S	S	*	.	S	Bend	trans	-86.8	-28.8	-173.8	-56.7	-43.3	0	0	0	113.8
45	D	83.3	Confident	90.4	Very high	96 Å²	96	65.1 Å²	65.1	51%	0.513	33%	0.331	S	S	.	.	S	Bend	trans	-106	-56.8	-174	178.2	39.6	0	0	0	112.7	L159	D45-L159 WeakPolarHBondContact O-CD1 3.25Å
46	R	87.9	Confident	90.4	Very high	134 Å²	134	64.1 Å²	64.1	51%	0.506	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.7	-175.1	-77.5	172.9	-77.1	-163.1	-9.5	111.2
47	C	90.7	Very high	90.1	Very high	1 Å²	1	68 Å²	68	1%	0.007	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.8	173.4	67.8	0	0	0	0	110.7	L43 I54 L159	L43-C47 HydrophobicContact CB-CB 4.22Å; L43-C47 HydrophobicContact CD1-CB 3.62Å; C47-I54 HydrophobicContact CB-CG2 3.6Å; C47-L159 HydrophobicContact CB-CD1 4.33Å
48	F	91.4	Very high	89.9	Confident	13 Å²	13	66.5 Å²	66.5	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	176.1	-68.8	-101.4	0	0	0	108.1	I54 Y55 K57 F60 Q156	F48-I54 CarbonylContact O-C 3.55Å; F48-Y55 PolarHBondContact N-O 3.06Å; F48-Y55 PolarHBondContact O-N 3.19Å; F48-K57 HydrophobicContact CD2-CB 4.1Å; F48-K57 HydrophobicContact CE2-CB 3.49Å; F48-K57 VanDerWaalsContact CE2-CB 3.49Å; F48-K57 HydrophobicContact CE2-CD 4.17Å; F48-K57 HydrophobicContact CE2-CG 3.69Å; F48-K57 HydrophobicContact CZ-CB 4.24Å; F48-K57 HydrophobicContact CZ-CD 4.19Å; F48-K57 HydrophobicContact CZ-CG 3.9Å; F48-F60 HydrophobicContact CB-CB 3.76Å; F48-F60 HydrophobicContact CB-CD1 4.08Å; F48-F60 HydrophobicContact CB-CD2 3.42Å; F48-F60 VanDerWaalsContact CB-CD2 3.42Å; F48-F60 HydrophobicContact CB-CE2 3.98Å; F48-F60 HydrophobicContact CB-CG 3.46Å; F48-F60 VanDerWaalsContact CB-CG 3.46Å; F48-F60 HydrophobicContact CD1-CB 4.46Å; F48-F60 AromaticContact CD1-CD1 3.59Å; F48-F60 HydrophobicContact CD1-CD1 3.59Å; F48-F60 HydrophobicContact CD1-CD2 4.41Å; F48-F60 AromaticContact CD1-CE1 3.86Å; F48-F60 HydrophobicContact CD1-CE1 3.86Å; F48-F60 AromaticContact CD1-CG 3.89Å; F48-F60 HydrophobicContact CD1-CG 3.89Å; F48-F60 HydrophobicContact CD1-CZ 4.37Å; F48-F60 HydrophobicContact CD2-CB 4.44Å; F48-F60 HydrophobicContact CE1-CD1 4.29Å; F48-F60 HydrophobicContact CG-CB 3.97Å; F48-F60 AromaticContact CG-CD1 3.96Å; F48-F60 HydrophobicContact CG-CD1 3.96Å; F48-F60 HydrophobicContact CG-CD2 4.21Å; F48-F60 AromaticContact CG-CG 3.77Å; F48-F60 HydrophobicContact CG-CG 3.77Å; F48-Q156 HydrophobicContact CE1-CG 3.74Å; F48-Q156 HydrophobicContact CZ-CG 4.23Å
49	T	91.3	Very high	89.8	Confident	24 Å²	24	64.8 Å²	64.8	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.1	179.8	55	0	0	0	0	111.5	V24 L25 R53 I54	V24-T49 HydrophobicContact CG1-CG2 3.38Å; L25-T49 VanDerWaalsContact CD1-OG1 3.29Å; L25-T49 WeakPolarHBondContact CD1-OG1 3.28Å; T49-R53 VanDerWaalsContact CA-O 3.25Å; T49-R53 WeakPolarHBondContact CA-O 3.49Å; T49-I54 HydrophobicContact CG2-CG1 4.15Å
50	R	90	Very high	89.7	Confident	100 Å²	100	62.8 Å²	62.8	38%	0.377	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	134.3	170.4	-159.7	170.5	87.5	140.1	25.1	109.5	G52 R53 Y55 F60 Y64	R50-G52 PolarHBondContact O-N 3.06Å; R50-G52 VanDerWaalsContact O-N 3.14Å; R50-R53 PolarHBondContact N-O 3.37Å; R50-R53 PolarHBondContact O-N 3.11Å; R50-Y55 HydrophobicContact CB-CE2 4.28Å; R50-F60 HydrophobicContact CB-CE2 4.13Å; R50-Y64 VanDerWaalsContact CZ-CZ 3.43Å; R50-Y64 VanDerWaalsContact NE-CZ 3.34Å; R50-Y64 VanDerWaalsContact NH1-CG 3.33Å; R50-Y64 VanDerWaalsContact NH2-CZ 3.33Å
51	D	86.8	Confident	89.5	Confident	128 Å²	128	60.6 Å²	60.6	68%	0.684	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	36.1	179.1	-46.5	-39.9	0	0	0	112.8	R53	D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 2.75Å
52	G	84	Confident	89.2	Confident	57 Å²	57	63.4 Å²	63.4	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-3.3	-177.8	0	0	0	0	0	115.9	R50	R50-G52 PolarHBondContact O-N 3.06Å; R50-G52 VanDerWaalsContact O-N 3.14Å
53	R	89.3	Confident	88.9	Confident	131 Å²	131	62.1 Å²	62.1	49%	0.494	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	150.9	-179.4	-57.1	-179.7	-166.8	-168.8	6.2	111.7	T49 R50 D51 Y55	T49-R53 VanDerWaalsContact CA-O 3.25Å; T49-R53 WeakPolarHBondContact CA-O 3.49Å; R50-R53 PolarHBondContact N-O 3.37Å; R50-R53 PolarHBondContact O-N 3.11Å; D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 2.75Å; R53-Y55 HydrophobicContact CB-CE2 3.74Å; R53-Y55 WeakPolarHBondContact CD-OH 3.27Å
54	I	91.8	Very high	88.7	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.1	-178.6	-51.5	-171.2	0	0	0	110.3	W29 I34 C36 E37 L43 C47 F48 T49	W29-I54 HydrophobicContact CD2-CD1 3.82Å; W29-I54 HydrophobicContact CE3-CD1 3.77Å; W29-I54 HydrophobicContact CH2-CD1 3.68Å; W29-I54 HydrophobicContact CH2-CG1 4Å; W29-I54 HydrophobicContact CZ2-CD1 3.7Å; W29-I54 HydrophobicContact CZ2-CG1 4.18Å; W29-I54 HydrophobicContact CZ3-CD1 3.69Å; W29-I54 HydrophobicContact CZ3-CG1 4.33Å; I34-I54 HydrophobicContact CG1-CD1 4.01Å; I34-I54 HydrophobicContact CG1-CG2 4.47Å; C36-I54 WeakPolarHBondContact CA-O 3.45Å; E37-I54 WeakPolarHBondContact CB-O 3.49Å; E37-I54 PolarHBondContact N-O 2.78Å; L43-I54 HydrophobicContact CD1-CG2 3.52Å; C47-I54 HydrophobicContact CB-CG2 3.6Å; F48-I54 CarbonylContact O-C 3.55Å; T49-I54 HydrophobicContact CG2-CG1 4.15Å
55	Y	93.5	Very high	88.9	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.4	-179.7	-58.8	-84	0	0	0	111.4	E37 V38 F48 R50 R53 F60 Y64	E37-Y55 HydrophobicContact CB-CD1 4.3Å; E37-Y55 HydrophobicContact CB-CE1 3.96Å; E37-Y55 HydrophobicContact CG-CE1 4.39Å; V38-Y55 HydrophobicContact CG2-CD1 3.85Å; V38-Y55 HydrophobicContact CG2-CE1 3.88Å; F48-Y55 PolarHBondContact N-O 3.06Å; F48-Y55 PolarHBondContact O-N 3.19Å; R50-Y55 HydrophobicContact CB-CE2 4.28Å; R53-Y55 HydrophobicContact CB-CE2 3.74Å; R53-Y55 WeakPolarHBondContact CD-OH 3.27Å; Y55-F60 HydrophobicContact CD2-CD2 4.08Å; Y55-F60 HydrophobicContact CG-CD2 4.36Å; Y55-Y64 HydrophobicContact CD2-CE2 4.3Å; Y55-Y64 HydrophobicContact CE1-CE2 4.3Å; Y55-Y64 AromaticContact CE2-CE2 3.83Å; Y55-Y64 HydrophobicContact CE2-CE2 3.83Å; Y55-Y64 AromaticContact CZ-CE2 3.84Å; Y55-Y64 PolarHBondContact OH-OH 3.28Å
56	C	92.4	Very high	89.1	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.108	29%	0.287	C	S	.	.			trans	-69.8	159.3	163.2	85.5	0	0	0	0	109.6	C36 L43 S58 D59 F60	C36-C56 HydrophobicContact CB-CB 3.92Å; C36-C56 PolarHBondContact SG-N 3.26Å; L43-C56 HydrophobicContact CD2-CB 3.62Å; C56-S58 PolarHBondContact O-N 3.12Å; C56-S58 PolarHBondContact SG-N 3.42Å; C56-D59 PolarHBondContact O-N 2.85Å; C56-D59 VanDerWaalsContact SG-CG 3.54Å; C56-D59 PolarHBondContact SG-N 2.85Å; C56-D59 PolarHBondContact SG-OD2 3.03Å; C56-F60 VanDerWaalsContact O-CB 3.28Å; C56-F60 WeakPolarHBondContact O-CB 3.35Å; C56-F60 PolarHBondContact O-N 3.31Å
57	K	89.2	Confident	89.2	Confident	80 Å²	80	58.1 Å²	58.1	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-54.4	-39.3	178.9	-175.1	166.5	169.1	176.2	0	113.3	F48 L61	F48-K57 HydrophobicContact CD2-CB 4.1Å; F48-K57 HydrophobicContact CE2-CB 3.49Å; F48-K57 VanDerWaalsContact CE2-CB 3.49Å; F48-K57 HydrophobicContact CE2-CD 4.17Å; F48-K57 HydrophobicContact CE2-CG 3.69Å; F48-K57 HydrophobicContact CZ-CB 4.24Å; F48-K57 HydrophobicContact CZ-CD 4.19Å; F48-K57 HydrophobicContact CZ-CG 3.9Å; K57-L61 WeakPolarHBondContact O-CB 3.31Å; K57-L61 PolarHBondContact O-N 3.49Å; K57-L61 VanDerWaalsContact O-N 3.15Å
58	S	89.2	Confident	89.3	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-52.3	-177.4	-172.4	0	0	0	0	110.9	C56 L61 K62	C56-S58 PolarHBondContact O-N 3.12Å; C56-S58 PolarHBondContact SG-N 3.42Å; S58-L61 PolarHBondContact O-N 3.39Å; S58-K62 WeakPolarHBondContact O-CB 3.25Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.23Å; S58-K62 PolarHBondContact O-N 2.98Å; S58-K62 WeakPolarHBondContact OG-CE 3.44Å
59	D	90.7	Very high	89.3	Confident	18 Å²	18	59.2 Å²	59.2	10%	0.096	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-34.6	-176.2	-63.2	-36.7	0	0	0	112.3	C36 V38 C39 C56 L61 K62 R63	C36-D59 PolarHBondContact SG-OD2 3.48Å; C36-D59 VanDerWaalsContact SG-OD2 3.35Å; V38-D59 HydrophobicContact CB-CB 3.94Å; V38-D59 HydrophobicContact CG1-CB 4.32Å; V38-D59 HydrophobicContact CG2-CB 4.03Å; C39-D59 WeakPolarHBondContact CB-OD2 3.47Å; C39-D59 PolarHBondContact SG-OD2 2.95Å; C56-D59 PolarHBondContact O-N 2.85Å; C56-D59 VanDerWaalsContact SG-CG 3.54Å; C56-D59 PolarHBondContact SG-N 2.85Å; C56-D59 PolarHBondContact SG-OD2 3.03Å; D59-L61 VanDerWaalsContact C-N 3.35Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-R63 WeakPolarHBondContact O-CB 3.03Å; D59-R63 PolarHBondContact O-N 2.95Å
60	F	91.7	Very high	89.1	Confident	23 Å²	23	61.1 Å²	61.1	10%	0.101	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-48.6	171.3	-173.7	-94.3	0	0	0	111.1	F48 R50 Y55 C56 R63 Y64 G65 P154	F48-F60 HydrophobicContact CB-CB 3.76Å; F48-F60 HydrophobicContact CB-CD1 4.08Å; F48-F60 HydrophobicContact CB-CD2 3.42Å; F48-F60 VanDerWaalsContact CB-CD2 3.42Å; F48-F60 HydrophobicContact CB-CE2 3.98Å; F48-F60 HydrophobicContact CB-CG 3.46Å; F48-F60 VanDerWaalsContact CB-CG 3.46Å; F48-F60 HydrophobicContact CD1-CB 4.46Å; F48-F60 AromaticContact CD1-CD1 3.59Å; F48-F60 HydrophobicContact CD1-CD1 3.59Å; F48-F60 HydrophobicContact CD1-CD2 4.41Å; F48-F60 AromaticContact CD1-CE1 3.86Å; F48-F60 HydrophobicContact CD1-CE1 3.86Å; F48-F60 AromaticContact CD1-CG 3.89Å; F48-F60 HydrophobicContact CD1-CG 3.89Å; F48-F60 HydrophobicContact CD1-CZ 4.37Å; F48-F60 HydrophobicContact CD2-CB 4.44Å; F48-F60 HydrophobicContact CE1-CD1 4.29Å; F48-F60 HydrophobicContact CG-CB 3.97Å; F48-F60 AromaticContact CG-CD1 3.96Å; F48-F60 HydrophobicContact CG-CD1 3.96Å; F48-F60 HydrophobicContact CG-CD2 4.21Å; F48-F60 AromaticContact CG-CG 3.77Å; F48-F60 HydrophobicContact CG-CG 3.77Å; R50-F60 HydrophobicContact CB-CE2 4.13Å; Y55-F60 HydrophobicContact CD2-CD2 4.08Å; Y55-F60 HydrophobicContact CG-CD2 4.36Å; C56-F60 VanDerWaalsContact O-CB 3.28Å; C56-F60 WeakPolarHBondContact O-CB 3.35Å; C56-F60 PolarHBondContact O-N 3.31Å; F60-R63 PolarHBondContact O-N 2.98Å; F60-Y64 AromaticContact CD2-CD2 3.8Å; F60-Y64 HydrophobicContact CD2-CD2 3.8Å; F60-Y64 AromaticContact CE2-CD2 3.88Å; F60-Y64 HydrophobicContact CE2-CD2 3.88Å; F60-Y64 HydrophobicContact CG-CD2 4.45Å; F60-Y64 WeakPolarHBondContact O-CA 3.47Å; F60-Y64 WeakPolarHBondContact O-CB 3.23Å; F60-Y64 PolarHBondContact O-N 3.23Å; F60-G65 PolarHBondContact O-N 2.76Å; F60-P154 HydrophobicContact CE1-CB 3.82Å; F60-P154 HydrophobicContact CZ-CB 4.04Å
61	L	88.8	Confident	89.2	Confident	68 Å²	68	58.5 Å²	58.5	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-70.3	-35.1	-179.2	-167.3	70.4	0	0	0	112.2	K57 S58 D59 G65 F75	K57-L61 WeakPolarHBondContact O-CB 3.31Å; K57-L61 PolarHBondContact O-N 3.49Å; K57-L61 VanDerWaalsContact O-N 3.15Å; S58-L61 PolarHBondContact O-N 3.39Å; D59-L61 VanDerWaalsContact C-N 3.35Å; L61-G65 WeakPolarHBondContact O-CA 3.36Å; L61-G65 PolarHBondContact O-N 2.78Å; L61-F75 VanDerWaalsContact CD2-O 3.24Å; L61-F75 WeakPolarHBondContact CD2-O 3.27Å
62	K	85.7	Confident	89.3	Confident	107 Å²	107	56.2 Å²	56.2	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-44.2	174.4	-74	171.8	-176.1	177.7	0	111.9	S58 D59 R67	S58-K62 WeakPolarHBondContact O-CB 3.25Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.23Å; S58-K62 PolarHBondContact O-N 2.98Å; S58-K62 WeakPolarHBondContact OG-CE 3.44Å; D59-K62 PolarHBondContact O-N 3.44Å; K62-R67 PolarHBondContact O-NH2 3.24Å
63	R	85.5	Confident	89.5	Confident	119 Å²	119	59.6 Å²	59.6	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-80.4	-42.5	-177	-71.2	-168.7	177	-167.9	1.7	113.1	D59 F60	D59-R63 WeakPolarHBondContact O-CB 3.03Å; D59-R63 PolarHBondContact O-N 2.95Å; F60-R63 PolarHBondContact O-N 2.98Å
64	Y	87.7	Confident	89.4	Confident	69 Å²	69	55.2 Å²	55.2	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-125.4	-2	-167.2	-49.2	-48.4	0	0	0	113.7	R50 Y55 F60	R50-Y64 VanDerWaalsContact CZ-CZ 3.43Å; R50-Y64 VanDerWaalsContact NE-CZ 3.34Å; R50-Y64 VanDerWaalsContact NH1-CG 3.33Å; R50-Y64 VanDerWaalsContact NH2-CZ 3.33Å; Y55-Y64 HydrophobicContact CD2-CE2 4.3Å; Y55-Y64 HydrophobicContact CE1-CE2 4.3Å; Y55-Y64 AromaticContact CE2-CE2 3.83Å; Y55-Y64 HydrophobicContact CE2-CE2 3.83Å; Y55-Y64 AromaticContact CZ-CE2 3.84Å; Y55-Y64 PolarHBondContact OH-OH 3.28Å; F60-Y64 AromaticContact CD2-CD2 3.8Å; F60-Y64 HydrophobicContact CD2-CD2 3.8Å; F60-Y64 AromaticContact CE2-CD2 3.88Å; F60-Y64 HydrophobicContact CE2-CD2 3.88Å; F60-Y64 HydrophobicContact CG-CD2 4.45Å; F60-Y64 WeakPolarHBondContact O-CA 3.47Å; F60-Y64 WeakPolarHBondContact O-CB 3.23Å; F60-Y64 PolarHBondContact O-N 3.23Å
65	G	85.7	Confident	89.2	Confident	15 Å²	15	55.7 Å²	55.7	16%	0.155	29%	0.293	C	S	.	.	S	Bend	trans	-69.1	159.8	173.1	0	0	0	0	0	112.1	F60 L61	F60-G65 PolarHBondContact O-N 2.76Å; L61-G65 WeakPolarHBondContact O-CA 3.36Å; L61-G65 PolarHBondContact O-N 2.78Å
66	V	87.3	Confident	88.7	Confident	57 Å²	57	59.7 Å²	59.7	35%	0.345	32%	0.318	S	S	.	.			trans	-62.5	138.9	171	-167.6	0	0	0	0	108.8	F75 T88 C152	V66-F75 HydrophobicContact CB-CD2 4.39Å; V66-F75 HydrophobicContact CB-CE2 4.33Å; V66-F75 HydrophobicContact CG1-CE2 4.09Å; V66-F75 VanDerWaalsContact O-CD2 3.24Å; V66-F75 WeakPolarHBondContact O-CD2 3.4Å; V66-T88 HydrophobicContact CG1-CG2 4.04Å; V66-T88 WeakPolarHBondContact CG1-OG1 3.31Å; V66-C152 HydrophobicContact CG2-CB 4.25Å
67	R	90.4	Very high	88.1	Confident	124 Å²	124	68.7 Å²	68.7	47%	0.468	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-115.9	152.4	-178.9	-62.5	178.1	178.7	-154.3	2.5	110.2	K62 A69 Q73 T88	K62-R67 PolarHBondContact O-NH2 3.24Å; R67-A69 PolarHBondContact O-N 3.15Å; R67-Q73 WeakPolarHBondContact CA-O 3.43Å; R67-T88 PolarHBondContact O-OG1 3.31Å
68	C	92.3	Very high	87.8	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.007	36%	0.364	C	S	.	.			trans	-62.7	123.1	171.4	177.3	0	0	0	0	109.4	S70 C71 S72 Q73 F75 T88 H90 C93	C68-S70 PolarHBondContact O-N 3.4Å; C68-S70 VanDerWaalsContact O-N 3.16Å; C68-S70 PolarHBondContact SG-N 2.8Å; C68-C71 VanDerWaalsContact CB-SG 3.5Å; C68-C71 VanDerWaalsContact SG-SG 3.62Å; C68-S72 WeakPolarHBondContact O-CA 3.35Å; C68-S72 PolarHBondContact O-N 3.37Å; C68-Q73 PolarHBondContact N-O 2.94Å; C68-F75 HydrophobicContact CB-CE1 4.09Å; C68-F75 HydrophobicContact CB-CZ 3.98Å; C68-T88 CarbonylContact C-O 3.58Å; C68-T88 WeakPolarHBondContact CA-O 3.4Å; C68-H90 VanDerWaalsContact CB-CE1 3.48Å; C68-H90 WeakPolarHBondContact CB-CE1 3.2Å; C68-H90 WeakPolarHBondContact CB-ND1 3.31Å; C68-H90 PolarHBondContact SG-N 3.03Å; C68-C93 VanDerWaalsContact SG-SG 3.7Å
69	A	91	Very high	87.7	Confident	35 Å²	35	67.6 Å²	67.6	29%	0.289	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.4	-179.3	0	0	0	0	0	113.9	R67 K87 T88 F89 T115	R67-A69 PolarHBondContact O-N 3.15Å; A69-K87 HydrophobicContact CB-CB 3.84Å; A69-K87 HydrophobicContact CB-CD 3.85Å; A69-K87 HydrophobicContact CB-CG 4.2Å; A69-T88 PolarHBondContact N-O 3.36Å; A69-F89 HydrophobicContact CB-CD1 4.2Å; A69-F89 HydrophobicContact CB-CE1 3.6Å; A69-F89 HydrophobicContact CB-CE2 4.46Å; A69-F89 HydrophobicContact CB-CZ 3.74Å; A69-T115 HydrophobicContact CB-CG2 4.04Å
70	S	89.1	Confident	87.6	Confident	65 Å²	65	72.6 Å²	72.6	46%	0.455	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-47.9	175.8	165.8	0	0	0	0	112.8	C68	C68-S70 PolarHBondContact O-N 3.4Å; C68-S70 VanDerWaalsContact O-N 3.16Å; C68-S70 PolarHBondContact SG-N 2.8Å
71	C	90.9	Very high	87.5	Confident	44 Å²	44	74.7 Å²	74.7	30%	0.297	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-2.2	-177.2	70.7	0	0	0	0	114.9	C68 Q73 H90 C93	C68-C71 VanDerWaalsContact CB-SG 3.5Å; C68-C71 VanDerWaalsContact SG-SG 3.62Å; C71-Q73 PolarHBondContact O-N 2.88Å; C71-H90 PolarHBondContact SG-CE1 2.8Å; C71-H90 PolarHBondContact SG-ND1 3.4Å; C71-C93 VanDerWaalsContact SG-SG 3.69Å
72	S	88.6	Confident	87.5	Confident	80 Å²	80	72.9 Å²	72.9	56%	0.559	38%	0.383	S	S	*	.			trans	59.9	9.7	-179.3	-58.1	0	0	0	0	115.7	C68	C68-S72 WeakPolarHBondContact O-CA 3.35Å; C68-S72 PolarHBondContact O-N 3.37Å
73	Q	87.9	Confident	87.7	Confident	129 Å²	129	72 Å²	72	60%	0.603	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-85.1	147.8	176.4	-64.2	176.4	-5.8	0	0	111.3	R67 C68 C71	R67-Q73 WeakPolarHBondContact CA-O 3.43Å; C68-Q73 PolarHBondContact N-O 2.94Å; C71-Q73 PolarHBondContact O-N 2.88Å
74	S	87.6	Confident	87.7	Confident	39 Å²	39	66.4 Å²	66.4	27%	0.273	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-74.2	141.4	175.5	55.1	0	0	0	0	111.4
75	F	86.9	Confident	87.5	Confident	16 Å²	16	69 Å²	69	7%	0.07	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-70.2	139.6	176	-58.1	-72.1	0	0	0	112.6	L61 V66 C68 D79 I81 T88 H90	L61-F75 VanDerWaalsContact CD2-O 3.24Å; L61-F75 WeakPolarHBondContact CD2-O 3.27Å; V66-F75 HydrophobicContact CB-CD2 4.39Å; V66-F75 HydrophobicContact CB-CE2 4.33Å; V66-F75 HydrophobicContact CG1-CE2 4.09Å; V66-F75 VanDerWaalsContact O-CD2 3.24Å; V66-F75 WeakPolarHBondContact O-CD2 3.4Å; C68-F75 HydrophobicContact CB-CE1 4.09Å; C68-F75 HydrophobicContact CB-CZ 3.98Å; F75-D79 WeakPolarHBondContact CA-OD2 3.41Å; F75-D79 HydrophobicContact CD1-CB 4.39Å; F75-I81 HydrophobicContact CB-CD1 3.81Å; F75-I81 HydrophobicContact CD1-CD1 3.54Å; F75-I81 HydrophobicContact CD1-CG1 3.5Å; F75-I81 HydrophobicContact CD2-CD1 3.76Å; F75-I81 HydrophobicContact CE1-CB 4.33Å; F75-I81 HydrophobicContact CE1-CD1 3.99Å; F75-I81 HydrophobicContact CE1-CG1 3.71Å; F75-I81 HydrophobicContact CE1-CG2 3.9Å; F75-I81 HydrophobicContact CE2-CD1 4.2Å; F75-I81 HydrophobicContact CE2-CG2 4.38Å; F75-I81 HydrophobicContact CG-CD1 3.41Å; F75-I81 VanDerWaalsContact CG-CD1 3.41Å; F75-I81 HydrophobicContact CG-CG1 3.95Å; F75-I81 HydrophobicContact CZ-CD1 4.3Å; F75-I81 HydrophobicContact CZ-CG1 4.33Å; F75-I81 HydrophobicContact CZ-CG2 3.83Å; F75-T88 WeakPolarHBondContact CE2-OG1 3.43Å; F75-H90 AromaticContact CD1-CD2 3.36Å; F75-H90 WeakPolarHBondContact CD1-CD2 3.28Å; F75-H90 AromaticContact CD1-NE2 3.3Å; F75-H90 VanDerWaalsContact CD1-NE2 3.3Å; F75-H90 WeakPolarHBondContact CD1-NE2 3.39Å; F75-H90 AromaticContact CE1-CD2 3.42Å; F75-H90 VanDerWaalsContact CE1-CD2 3.42Å; F75-H90 WeakPolarHBondContact CE1-CD2 3.39Å; F75-H90 AromaticContact CE1-NE2 3.57Å
76	T	84.3	Confident	87.5	Confident	85 Å²	85	76.2 Å²	76.2	52%	0.521	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-91.4	169.7	169.9	84.7	0	0	0	0	111.4	G78 D79	T76-G78 PolarHBondContact O-N 3.01Å; T76-G78 VanDerWaalsContact O-N 3.14Å; T76-G78 PolarHBondContact OG1-N 2.88Å; T76-D79 PolarHBondContact N-OD2 3.01Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD1 3.09Å; T76-D79 PolarHBondContact OG1-OD2 3.43Å
77	R	80.5	Confident	87.5	Confident	206 Å²	206	76.8 Å²	76.8	78%	0.777	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20	-179.7	-67	-175.2	-174.4	-177.6	2.1	113.8
78	G	82.4	Confident	87.6	Confident	62 Å²	62	71.6 Å²	71.6	64%	0.639	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.1	-178.2	0	0	0	0	0	114	T76 L80	T76-G78 PolarHBondContact O-N 3.01Å; T76-G78 VanDerWaalsContact O-N 3.14Å; T76-G78 PolarHBondContact OG1-N 2.88Å; G78-L80 PolarHBondContact O-N 3.29Å
79	D	87.1	Confident	87.5	Confident	58 Å²	58	71.5 Å²	71.5	31%	0.31	38%	0.384	S	S	.	.			trans	-70.7	131.9	-172.6	-64.7	-8.4	0	0	0	110.4	F75 T76 H90	F75-D79 WeakPolarHBondContact CA-OD2 3.41Å; F75-D79 HydrophobicContact CD1-CB 4.39Å; T76-D79 PolarHBondContact N-OD2 3.01Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD1 3.09Å; T76-D79 PolarHBondContact OG1-OD2 3.43Å; D79-H90 IonicContact OD2-CD2 3.98Å; D79-H90 IonicContact OD2-NE2 3.35Å
80	L	88.3	Confident	87.6	Confident	123 Å²	123	70.9 Å²	70.9	64%	0.644	38%	0.375	S	S	*	.			trans	-81.9	128.7	169.6	-59.4	172.8	0	0	0	108.1	G78 V91	G78-L80 PolarHBondContact O-N 3.29Å; L80-V91 VanDerWaalsContact C-CG2 3.5Å; L80-V91 HydrophobicContact CB-CB 3.96Å; L80-V91 HydrophobicContact CB-CG2 3.48Å; L80-V91 VanDerWaalsContact CB-CG2 3.48Å; L80-V91 WeakPolarHBondContact O-CB 3.34Å; L80-V91 VanDerWaalsContact O-CG2 3.29Å; L80-V91 WeakPolarHBondContact O-CG2 3.48Å; L80-V91 PolarHBondContact O-N 2.92Å
81	I	90.2	Very high	87.7	Confident	67 Å²	67	68.3 Å²	68.3	34%	0.344	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.3	-174.1	-52.3	177.3	0	0	0	109.4	F75 T88 F89	F75-I81 HydrophobicContact CB-CD1 3.81Å; F75-I81 HydrophobicContact CD1-CD1 3.54Å; F75-I81 HydrophobicContact CD1-CG1 3.5Å; F75-I81 HydrophobicContact CD2-CD1 3.76Å; F75-I81 HydrophobicContact CE1-CB 4.33Å; F75-I81 HydrophobicContact CE1-CD1 3.99Å; F75-I81 HydrophobicContact CE1-CG1 3.71Å; F75-I81 HydrophobicContact CE1-CG2 3.9Å; F75-I81 HydrophobicContact CE2-CD1 4.2Å; F75-I81 HydrophobicContact CE2-CG2 4.38Å; F75-I81 HydrophobicContact CG-CD1 3.41Å; F75-I81 VanDerWaalsContact CG-CD1 3.41Å; F75-I81 HydrophobicContact CG-CG1 3.95Å; F75-I81 HydrophobicContact CZ-CD1 4.3Å; F75-I81 HydrophobicContact CZ-CG1 4.33Å; F75-I81 HydrophobicContact CZ-CG2 3.83Å; I81-T88 HydrophobicContact CG2-CG2 4.24Å; I81-F89 CarbonylContact C-O 3.54Å; I81-F89 VanDerWaalsContact CA-O 3.31Å; I81-F89 WeakPolarHBondContact CA-O 3.07Å; I81-F89 WeakPolarHBondContact CG2-O 3.39Å
82	R	88.9	Confident	87.7	Confident	29 Å²	29	71.7 Å²	71.7	11%	0.109	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.6	167.8	-77.8	169.5	179.7	-91	-9.3	110.2	T88 F89 V91 F94 L103 N104	R82-T88 CarbonylContact O-C 3.53Å; R82-T88 WeakPolarHBondContact O-CA 3.48Å; R82-F89 PolarHBondContact N-O 2.77Å; R82-F89 PolarHBondContact O-N 2.92Å; R82-V91 HydrophobicContact CG-CG2 3.79Å; R82-F94 HydrophobicContact CB-CB 4.34Å; R82-F94 HydrophobicContact CB-CD2 4.35Å; R82-F94 HydrophobicContact CB-CG 4.23Å; R82-F94 HydrophobicContact CG-CB 4.46Å; R82-F94 HydrophobicContact CG-CG 4.46Å; R82-L103 PolarHBondContact NH1-O 3.48Å; R82-L103 PolarHBondContact NH2-O 3.43Å; R82-L103 VanDerWaalsContact NH2-O 3.15Å; R82-N104 PolarHBondContact NH2-OD1 3.41Å
83	H	88.2	Confident	87.9	Confident	89 Å²	89	69.1 Å²	69.1	41%	0.412	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.4	173.4	-59.6	73.3	0	0	0	107	K87	H83-K87 WeakPolarHBondContact CA-O 3.29Å
84	A	85.8	Confident	88	Confident	2 Å²	2	63.4 Å²	63.4	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.7	171.9	0	0	0	0	0	108	D86 K87 F89 F94 F117	A84-D86 PolarHBondContact O-N 2.79Å; A84-K87 PolarHBondContact N-O 3.22Å; A84-K87 PolarHBondContact O-N 2.82Å; A84-F89 HydrophobicContact CB-CD2 4.3Å; A84-F89 HydrophobicContact CB-CE2 3.97Å; A84-F94 HydrophobicContact CB-CE2 3.63Å; A84-F94 HydrophobicContact CB-CZ 4.27Å; A84-F117 HydrophobicContact CB-CE1 3.92Å; A84-F117 HydrophobicContact CB-CZ 3.87Å
85	R	83.5	Confident	88.3	Confident	123 Å²	123	63.1 Å²	63.1	46%	0.464	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-123.6	-166.6	-57.8	-179.6	176.7	163.7	-2.3	109.5	D114	R85-D114 IonicContact CZ-OD1 2.74Å; R85-D114 IonicContact NH1-OD1 3.8Å; R85-D114 PolarHBondContact NH1-OD1 2.87Å
86	D	85.4	Confident	88.5	Confident	166 Å²	166	62.4 Å²	62.4	89%	0.888	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	10.9	-179.2	-57.2	-45.3	0	0	0	113.8	A84	A84-D86 PolarHBondContact O-N 2.79Å
87	K	88.3	Confident	88.8	Confident	69 Å²	69	62 Å²	62	30%	0.3	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146	-175	-63.6	-173	-170.9	-178.3	0	112	A69 H83 A84 F89 D114 T115	A69-K87 HydrophobicContact CB-CB 3.84Å; A69-K87 HydrophobicContact CB-CD 3.85Å; A69-K87 HydrophobicContact CB-CG 4.2Å; H83-K87 WeakPolarHBondContact CA-O 3.29Å; A84-K87 PolarHBondContact N-O 3.22Å; A84-K87 PolarHBondContact O-N 2.82Å; K87-F89 HydrophobicContact CB-CD2 4.5Å; K87-F89 HydrophobicContact CB-CE2 3.5Å; K87-F89 HydrophobicContact CB-CZ 3.68Å; K87-F89 HydrophobicContact CD-CZ 4.45Å; K87-D114 HydrophobicContact CD-CB 3.9Å; K87-D114 VanDerWaalsContact CE-CB 3.47Å; K87-D114 IonicContact NZ-OD2 2.76Å; K87-T115 HydrophobicContact CD-CG2 3.85Å
88	T	91.7	Very high	89.2	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.3	177.2	52	0	0	0	0	111.2	V66 R67 C68 A69 F75 I81 R82	V66-T88 HydrophobicContact CG1-CG2 4.04Å; V66-T88 WeakPolarHBondContact CG1-OG1 3.31Å; R67-T88 PolarHBondContact O-OG1 3.31Å; C68-T88 CarbonylContact C-O 3.58Å; C68-T88 WeakPolarHBondContact CA-O 3.4Å; A69-T88 PolarHBondContact N-O 3.36Å; F75-T88 WeakPolarHBondContact CE2-OG1 3.43Å; I81-T88 HydrophobicContact CG2-CG2 4.24Å; R82-T88 CarbonylContact O-C 3.53Å; R82-T88 WeakPolarHBondContact O-CA 3.48Å
89	F	91.8	Very high	89.6	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.7	-176.8	-58.9	-92.4	0	0	0	110.3	A69 I81 R82 A84 K87 F94 D114 T115 F117	A69-F89 HydrophobicContact CB-CD1 4.2Å; A69-F89 HydrophobicContact CB-CE1 3.6Å; A69-F89 HydrophobicContact CB-CE2 4.46Å; A69-F89 HydrophobicContact CB-CZ 3.74Å; I81-F89 CarbonylContact C-O 3.54Å; I81-F89 VanDerWaalsContact CA-O 3.31Å; I81-F89 WeakPolarHBondContact CA-O 3.07Å; I81-F89 WeakPolarHBondContact CG2-O 3.39Å; R82-F89 PolarHBondContact N-O 2.77Å; R82-F89 PolarHBondContact O-N 2.92Å; A84-F89 HydrophobicContact CB-CD2 4.3Å; A84-F89 HydrophobicContact CB-CE2 3.97Å; K87-F89 HydrophobicContact CB-CD2 4.5Å; K87-F89 HydrophobicContact CB-CE2 3.5Å; K87-F89 HydrophobicContact CB-CZ 3.68Å; K87-F89 HydrophobicContact CD-CZ 4.45Å; F89-F94 HydrophobicContact CB-CB 4.37Å; F89-F94 HydrophobicContact CB-CD2 4.32Å; F89-F94 HydrophobicContact CD2-CD2 4.21Å; F89-F94 HydrophobicContact CG-CD2 4.24Å; F89-D114 WeakPolarHBondContact CZ-O 3.38Å; F89-T115 HydrophobicContact CE1-CG2 4.4Å; F89-T115 HydrophobicContact CZ-CG2 4.44Å; F89-F117 HydrophobicContact CD1-CE2 4.12Å; F89-F117 HydrophobicContact CD2-CE2 4.42Å; F89-F117 HydrophobicContact CD2-CZ 4.33Å; F89-F117 AromaticContact CE1-CE2 3.75Å; F89-F117 HydrophobicContact CE1-CE2 3.75Å; F89-F117 HydrophobicContact CE1-CZ 4.08Å; F89-F117 HydrophobicContact CE2-CE2 4.1Å; F89-F117 AromaticContact CE2-CZ 3.71Å; F89-F117 HydrophobicContact CE2-CZ 3.71Å; F89-F117 HydrophobicContact CG-CE2 4.44Å; F89-F117 AromaticContact CZ-CE2 3.75Å; F89-F117 HydrophobicContact CZ-CE2 3.75Å; F89-F117 AromaticContact CZ-CZ 3.57Å; F89-F117 HydrophobicContact CZ-CZ 3.57Å
90	H	92.9	Very high	89.7	Confident	22 Å²	22	63.4 Å²	63.4	10%	0.102	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	146.5	160.5	-61	116.6	0	0	0	108.5	C68 C71 F75 D79 D92 C93 F94	C68-H90 VanDerWaalsContact CB-CE1 3.48Å; C68-H90 WeakPolarHBondContact CB-CE1 3.2Å; C68-H90 WeakPolarHBondContact CB-ND1 3.31Å; C68-H90 PolarHBondContact SG-N 3.03Å; C71-H90 PolarHBondContact SG-CE1 2.8Å; C71-H90 PolarHBondContact SG-ND1 3.4Å; F75-H90 AromaticContact CD1-CD2 3.36Å; F75-H90 WeakPolarHBondContact CD1-CD2 3.28Å; F75-H90 AromaticContact CD1-NE2 3.3Å; F75-H90 VanDerWaalsContact CD1-NE2 3.3Å; F75-H90 WeakPolarHBondContact CD1-NE2 3.39Å; F75-H90 AromaticContact CE1-CD2 3.42Å; F75-H90 VanDerWaalsContact CE1-CD2 3.42Å; F75-H90 WeakPolarHBondContact CE1-CD2 3.39Å; F75-H90 AromaticContact CE1-NE2 3.57Å; D79-H90 IonicContact OD2-CD2 3.98Å; D79-H90 IonicContact OD2-NE2 3.35Å; H90-D92 PolarHBondContact O-N 3.4Å; H90-C93 HydrophobicContact CB-CB 3.96Å; H90-C93 CarbonylContact O-C 3.53Å; H90-C93 PolarHBondContact O-N 2.95Å; H90-F94 PolarHBondContact O-N 3.19Å
91	V	90.9	Very high	89.8	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.067	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.7	174.2	159.7	0	0	0	0	112.1	L80 R82	L80-V91 VanDerWaalsContact C-CG2 3.5Å; L80-V91 HydrophobicContact CB-CB 3.96Å; L80-V91 HydrophobicContact CB-CG2 3.48Å; L80-V91 VanDerWaalsContact CB-CG2 3.48Å; L80-V91 WeakPolarHBondContact O-CB 3.34Å; L80-V91 VanDerWaalsContact O-CG2 3.29Å; L80-V91 WeakPolarHBondContact O-CG2 3.48Å; L80-V91 PolarHBondContact O-N 2.92Å; R82-V91 HydrophobicContact CG-CG2 3.79Å
92	D	90.7	Very high	89.8	Confident	114 Å²	114	65 Å²	65	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-23	177	-56.1	-44.8	0	0	0	113.2	H90 F94 R102	H90-D92 PolarHBondContact O-N 3.4Å; D92-F94 VanDerWaalsContact C-N 3.32Å; D92-R102 IonicContact OD1-CZ 2.7Å; D92-R102 IonicContact OD1-NH1 3.65Å; D92-R102 PolarHBondContact OD1-NH1 2.79Å
93	C	91.8	Very high	89.8	Confident	27 Å²	27	63.7 Å²	63.7	18%	0.182	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.4	171.8	-64.1	0	0	0	0	112.9	C68 C71 H90 C95	C68-C93 VanDerWaalsContact SG-SG 3.7Å; C71-C93 VanDerWaalsContact SG-SG 3.69Å; H90-C93 HydrophobicContact CB-CB 3.96Å; H90-C93 CarbonylContact O-C 3.53Å; H90-C93 PolarHBondContact O-N 2.95Å; C93-C95 VanDerWaalsContact C-N 3.27Å; C93-C95 PolarHBondContact O-N 3.02Å; C93-C95 VanDerWaalsContact O-N 3.09Å
94	F	91.5	Very high	89.9	Confident	8 Å²	8	63 Å²	63	4%	0.035	31%	0.309	C	S	.	.			trans	-86.8	71.5	176.9	-163.5	-100.8	0	0	0	110.3	R82 A84 F89 H90 D92 L103 L109 F117	R82-F94 HydrophobicContact CB-CB 4.34Å; R82-F94 HydrophobicContact CB-CD2 4.35Å; R82-F94 HydrophobicContact CB-CG 4.23Å; R82-F94 HydrophobicContact CG-CB 4.46Å; R82-F94 HydrophobicContact CG-CG 4.46Å; A84-F94 HydrophobicContact CB-CE2 3.63Å; A84-F94 HydrophobicContact CB-CZ 4.27Å; F89-F94 HydrophobicContact CB-CB 4.37Å; F89-F94 HydrophobicContact CB-CD2 4.32Å; F89-F94 HydrophobicContact CD2-CD2 4.21Å; F89-F94 HydrophobicContact CG-CD2 4.24Å; H90-F94 PolarHBondContact O-N 3.19Å; D92-F94 VanDerWaalsContact C-N 3.32Å; F94-L103 HydrophobicContact CD1-CB 3.71Å; F94-L103 HydrophobicContact CD1-CD1 4.49Å; F94-L103 WeakPolarHBondContact CD1-O 3.48Å; F94-L103 HydrophobicContact CE1-CB 3.67Å; F94-L103 HydrophobicContact CE1-CD1 4.24Å; F94-L103 PolarHBondContact O-N 3.16Å; F94-L109 HydrophobicContact CE1-CD2 3.62Å; F94-L109 HydrophobicContact CZ-CD2 3.58Å; F94-F117 AromaticContact CD2-CD2 3.87Å; F94-F117 HydrophobicContact CD2-CD2 3.87Å; F94-F117 HydrophobicContact CD2-CE1 4.5Å; F94-F117 AromaticContact CD2-CE2 3.58Å; F94-F117 HydrophobicContact CD2-CE2 3.58Å; F94-F117 HydrophobicContact CD2-CG 4.45Å; F94-F117 AromaticContact CD2-CZ 3.94Å; F94-F117 HydrophobicContact CD2-CZ 3.94Å; F94-F117 AromaticContact CE2-CD1 3.91Å; F94-F117 HydrophobicContact CE2-CD1 3.91Å; F94-F117 AromaticContact CE2-CD2 3.83Å; F94-F117 HydrophobicContact CE2-CD2 3.83Å; F94-F117 AromaticContact CE2-CE1 3.65Å; F94-F117 HydrophobicContact CE2-CE1 3.65Å; F94-F117 AromaticContact CE2-CE2 3.56Å; F94-F117 HydrophobicContact CE2-CE2 3.56Å; F94-F117 HydrophobicContact CE2-CG 4.01Å; F94-F117 AromaticContact CE2-CZ 3.47Å; F94-F117 HydrophobicContact CE2-CZ 3.47Å; F94-F117 VanDerWaalsContact CE2-CZ 3.47Å; F94-F117 HydrophobicContact CZ-CD1 4.23Å; F94-F117 HydrophobicContact CZ-CE1 4.28Å; F94-F117 HydrophobicContact CZ-CG 4.41Å
95	C	92.6	Very high	89.9	Confident	34 Å²	34	67.8 Å²	67.8	23%	0.23	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-127.9	159.1	-175.7	59.8	0	0	0	0	111.5	C93 T97 K101	C93-C95 VanDerWaalsContact C-N 3.27Å; C93-C95 PolarHBondContact O-N 3.02Å; C93-C95 VanDerWaalsContact O-N 3.09Å; C95-T97 PolarHBondContact O-N 3.2Å; C95-K101 CarbonylContact C-O 3.54Å; C95-K101 VanDerWaalsContact CA-O 3.23Å; C95-K101 WeakPolarHBondContact CA-O 3.41Å; C95-K101 WeakPolarHBondContact CB-O 3.49Å
96	C	92.5	Very high	90.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-63.3	131.4	172.6	-178.1	0	0	0	0	110.3	V98 C99 R100 K101 F117 C119 D122	C96-V98 PolarHBondContact O-N 2.99Å; C96-V98 PolarHBondContact SG-N 3.18Å; C96-V98 VanDerWaalsContact SG-N 3.39Å; C96-C99 VanDerWaalsContact CB-SG 3.53Å; C96-R100 WeakPolarHBondContact O-CA 3.43Å; C96-R100 PolarHBondContact O-N 2.85Å; C96-K101 PolarHBondContact N-O 3.34Å; C96-F117 CarbonylContact C-O 3.49Å; C96-F117 VanDerWaalsContact CA-O 3.27Å; C96-F117 WeakPolarHBondContact CA-O 3.23Å; C96-C119 HydrophobicContact CB-CB 4.11Å; C96-C119 PolarHBondContact SG-N 3.43Å; C96-D122 PolarHBondContact SG-OD2 3.43Å
97	T	90.2	Very high	90.2	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.5	177	53.7	0	0	0	0	113.2	C95 T116 F117	C95-T97 PolarHBondContact O-N 3.2Å; T97-T116 HydrophobicContact CG2-CG2 4.2Å; T97-F117 PolarHBondContact N-O 3.48Å; T97-F117 PolarHBondContact OG1-O 3.42Å
98	V	88.2	Confident	90.3	Very high	84 Å²	84	61.8 Å²	61.8	51%	0.509	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-68.6	-179.6	-177.3	0	0	0	0	110.9	C96 V118 D122	C96-V98 PolarHBondContact O-N 2.99Å; C96-V98 PolarHBondContact SG-N 3.18Å; C96-V98 VanDerWaalsContact SG-N 3.39Å; V98-V118 HydrophobicContact CG2-CG1 4.31Å; V98-V118 HydrophobicContact CG2-CG2 4.49Å; V98-D122 HydrophobicContact CB-CB 3.89Å; V98-D122 HydrophobicContact CG1-CB 4.03Å; V98-D122 HydrophobicContact CG2-CB 4.19Å
99	C	91.8	Very high	90.2	Very high	59 Å²	59	62.1 Å²	62.1	40%	0.399	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.6	-177.1	68.7	0	0	0	0	115.2	C96 K101 D122	C96-C99 VanDerWaalsContact CB-SG 3.53Å; C99-K101 PolarHBondContact O-N 3.49Å; C99-K101 WeakPolarHBondContact SG-CB 3.18Å; C99-K101 PolarHBondContact SG-N 3.28Å; C99-D122 VanDerWaalsContact CB-OD2 3.25Å; C99-D122 WeakPolarHBondContact CB-OD2 3.46Å; C99-D122 PolarHBondContact N-OD2 3.36Å; C99-D122 PolarHBondContact SG-OD2 2.97Å
100	R	89.3	Confident	90	Very high	212 Å²	212	63.6 Å²	63.6	80%	0.8	34%	0.339	S	S	*	.			trans	57.2	12.9	-173.5	-57.9	-171.9	-175.2	155.2	1.8	115.2	C96 R102	C96-R100 WeakPolarHBondContact O-CA 3.43Å; C96-R100 PolarHBondContact O-N 2.85Å; R100-R102 PolarHBondContact O-N 2.9Å
101	K	88.9	Confident	89.8	Confident	123 Å²	123	64 Å²	64	54%	0.535	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-64.1	128.6	174.5	-176.4	180	175.9	-176.6	0	110.2	C95 C96 C99 L103	C95-K101 CarbonylContact C-O 3.54Å; C95-K101 VanDerWaalsContact CA-O 3.23Å; C95-K101 WeakPolarHBondContact CA-O 3.41Å; C95-K101 WeakPolarHBondContact CB-O 3.49Å; C96-K101 PolarHBondContact N-O 3.34Å; C99-K101 PolarHBondContact O-N 3.49Å; C99-K101 WeakPolarHBondContact SG-CB 3.18Å; C99-K101 PolarHBondContact SG-N 3.28Å; K101-L103 PolarHBondContact O-N 3.32Å
102	R	91.7	Very high	89.5	Confident	101 Å²	101	68.3 Å²	68.3	38%	0.381	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-64.9	123.8	171.5	176.4	168.2	149.9	175.4	-7.4	110.3	D92 R100	D92-R102 IonicContact OD1-CZ 2.7Å; D92-R102 IonicContact OD1-NH1 3.65Å; D92-R102 PolarHBondContact OD1-NH1 2.79Å; R100-R102 PolarHBondContact O-N 2.9Å
103	L	89.2	Confident	89.1	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-88.6	118.5	-176.1	-60.4	168.3	0	0	0	108.8	R82 F94 K101 L109 F117 C119	R82-L103 PolarHBondContact NH1-O 3.48Å; R82-L103 PolarHBondContact NH2-O 3.43Å; R82-L103 VanDerWaalsContact NH2-O 3.15Å; F94-L103 HydrophobicContact CD1-CB 3.71Å; F94-L103 HydrophobicContact CD1-CD1 4.49Å; F94-L103 WeakPolarHBondContact CD1-O 3.48Å; F94-L103 HydrophobicContact CE1-CB 3.67Å; F94-L103 HydrophobicContact CE1-CD1 4.24Å; F94-L103 PolarHBondContact O-N 3.16Å; K101-L103 PolarHBondContact O-N 3.32Å; L103-L109 HydrophobicContact CB-CD2 4.2Å; L103-L109 HydrophobicContact CD1-CB 3.82Å; L103-L109 HydrophobicContact CD1-CD2 3.87Å; L103-L109 HydrophobicContact CD1-CG 4.4Å; L103-L109 HydrophobicContact CD2-CB 4.27Å; L103-F117 HydrophobicContact CD1-CB 3.58Å; L103-F117 HydrophobicContact CD1-CG 4.43Å; L103-C119 HydrophobicContact CD2-CB 3.7Å
104	N	89.1	Confident	88.6	Confident	75 Å²	75	69.7 Å²	69.7	40%	0.401	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-94.7	170.1	-175.8	-71.8	-48.4	0	0	0	114.2	R82 G106 D107	R82-N104 PolarHBondContact NH2-OD1 3.41Å; N104-G106 PolarHBondContact O-N 3.14Å; N104-D107 PolarHBondContact N-OD2 2.98Å; N104-D107 WeakPolarHBondContact O-CB 3.38Å; N104-D107 PolarHBondContact O-N 3.05Å
105	T	87	Confident	88.2	Confident	102 Å²	102	71.8 Å²	71.8	63%	0.626	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	119.5	173.5	-68.4	0	0	0	0	108.8	T145	T105-T145 VanDerWaalsContact CG2-OG1 3.23Å; T105-T145 WeakPolarHBondContact CG2-OG1 3.49Å; T105-T145 PolarHBondContact OG1-OG1 2.79Å
106	G	86.4	Confident	88	Confident	72 Å²	72	71.8 Å²	71.8	74%	0.742	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-10.6	-175.6	0	0	0	0	0	114.5	N104	N104-G106 PolarHBondContact O-N 3.14Å
107	D	88.8	Confident	87.9	Confident	61 Å²	61	72 Å²	72	33%	0.326	38%	0.384	S	S	.	.			trans	-73.2	137.1	173.5	-71.6	-8.6	0	0	0	110.3	N104	N104-D107 PolarHBondContact N-OD2 2.98Å; N104-D107 WeakPolarHBondContact O-CB 3.38Å; N104-D107 PolarHBondContact O-N 3.05Å
108	Q	88.9	Confident	88	Confident	98 Å²	98	68.5 Å²	68.5	46%	0.458	36%	0.363	S	S	.	.			trans	-79.4	128.4	173	-67.1	-180	2.9	0	0	109.8	K120	Q108-K120 HydrophobicContact CB-CB 3.99Å; Q108-K120 HydrophobicContact CB-CD 4.29Å; Q108-K120 PolarHBondContact O-N 3.35Å; Q108-K120 VanDerWaalsContact O-N 3.1Å; Q108-K120 VanDerWaalsContact OE1-CE 3.23Å
109	L	90.1	Very high	88.2	Confident	22 Å²	22	65.3 Å²	65.3	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155	-178.9	67.6	89.1	0	0	0	110.1	F94 L103 V111 F117 V118 I143	F94-L109 HydrophobicContact CE1-CD2 3.62Å; F94-L109 HydrophobicContact CZ-CD2 3.58Å; L103-L109 HydrophobicContact CB-CD2 4.2Å; L103-L109 HydrophobicContact CD1-CB 3.82Å; L103-L109 HydrophobicContact CD1-CD2 3.87Å; L103-L109 HydrophobicContact CD1-CG 4.4Å; L103-L109 HydrophobicContact CD2-CB 4.27Å; L109-V111 HydrophobicContact CD1-CG2 3.64Å; L109-F117 HydrophobicContact CD1-CD1 4.03Å; L109-V118 CarbonylContact C-O 3.5Å; L109-V118 VanDerWaalsContact CA-O 3.28Å; L109-V118 WeakPolarHBondContact CA-O 3.31Å; L109-I143 HydrophobicContact CD1-CD1 3.93Å
110	Y	87.7	Confident	88.1	Confident	31 Å²	31	66.6 Å²	66.6	12%	0.122	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.3	173.8	-67.4	-89.2	0	0	0	108.7	F117 V118 K120 Y123 E140	Y110-F117 CarbonylContact O-C 3.57Å; Y110-F117 WeakPolarHBondContact O-CA 3.47Å; Y110-V118 PolarHBondContact N-O 3.01Å; Y110-V118 PolarHBondContact O-N 2.98Å; Y110-K120 HydrophobicContact CE2-CB 4.25Å; Y110-K120 HydrophobicContact CE2-CG 4.15Å; Y110-Y123 AromaticContact CD1-CD1 3.71Å; Y110-Y123 HydrophobicContact CD1-CD1 3.71Å; Y110-Y123 HydrophobicContact CD1-CD2 4.11Å; Y110-Y123 AromaticContact CD1-CE1 3.64Å; Y110-Y123 HydrophobicContact CD1-CE1 3.64Å; Y110-Y123 HydrophobicContact CD1-CE2 4.06Å; Y110-Y123 AromaticContact CD1-CG 3.94Å; Y110-Y123 HydrophobicContact CD1-CG 3.94Å; Y110-Y123 AromaticContact CD1-CZ 3.83Å; Y110-Y123 AromaticContact CD2-CD1 3.44Å; Y110-Y123 HydrophobicContact CD2-CD1 3.44Å; Y110-Y123 VanDerWaalsContact CD2-CD1 3.44Å; Y110-Y123 AromaticContact CD2-CD2 3.96Å; Y110-Y123 HydrophobicContact CD2-CD2 3.96Å; Y110-Y123 HydrophobicContact CD2-CE1 4.25Å; Y110-Y123 AromaticContact CD2-CG 3.26Å; Y110-Y123 HydrophobicContact CD2-CG 3.26Å; Y110-Y123 AromaticContact CE1-CD1 3.69Å; Y110-Y123 HydrophobicContact CE1-CD1 3.69Å; Y110-Y123 AromaticContact CE1-CE1 3.58Å; Y110-Y123 HydrophobicContact CE1-CE1 3.58Å; Y110-Y123 HydrophobicContact CE1-CG 4.35Å; Y110-Y123 AromaticContact CE2-CD1 3.37Å; Y110-Y123 HydrophobicContact CE2-CD1 3.37Å; Y110-Y123 HydrophobicContact CE2-CE1 4.16Å; Y110-Y123 AromaticContact CE2-CG 3.71Å; Y110-Y123 HydrophobicContact CE2-CG 3.71Å; Y110-Y123 AromaticContact CG-CD1 3.6Å; Y110-Y123 HydrophobicContact CG-CD1 3.6Å; Y110-Y123 AromaticContact CG-CD2 3.61Å; Y110-Y123 HydrophobicContact CG-CD2 3.61Å; Y110-Y123 HydrophobicContact CG-CE1 4Å; Y110-Y123 HydrophobicContact CG-CE2 4.02Å; Y110-Y123 AromaticContact CG-CG 3.39Å; Y110-Y123 HydrophobicContact CG-CG 3.39Å; Y110-Y123 AromaticContact CZ-CD1 3.52Å; Y110-Y123 AromaticContact CZ-CE1 3.85Å; Y110-E140 PolarHBondContact OH-OE2 3.27Å; Y110-E140 VanDerWaalsContact OH-OE2 3.13Å
111	V	88.7	Confident	88.1	Confident	30 Å²	30	58.3 Å²	58.3	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.2	179.5	-173.2	0	0	0	0	107.3	L109 N113 F117 I143	L109-V111 HydrophobicContact CD1-CG2 3.64Å; V111-N113 WeakPolarHBondContact CG1-O 3.38Å; V111-F117 HydrophobicContact CG1-CD1 4.38Å; V111-F117 HydrophobicContact CG1-CE1 4.2Å; V111-F117 HydrophobicContact CG2-CD1 4.05Å; V111-F117 HydrophobicContact CG2-CE1 4.2Å; V111-I143 HydrophobicContact CG2-CD1 4.15Å
112	I	84	Confident	88.1	Confident	102 Å²	102	53.6 Å²	53.6	52%	0.523	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-52.2	178.8	-64.5	179.4	0	0	0	109.1	T116 V118	I112-T116 PolarHBondContact N-O 3.33Å; I112-V118 HydrophobicContact CD1-CB 4.46Å; I112-V118 HydrophobicContact CD1-CG2 3.37Å; I112-V118 HydrophobicContact CG1-CG2 3.97Å
113	N	82	Confident	88	Confident	95 Å²	95	51.3 Å²	51.3	51%	0.508	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	168	171.6	-56.8	-40.8	0	0	0	108.2	V111 T115 T116	V111-N113 WeakPolarHBondContact CG1-O 3.38Å; N113-T115 PolarHBondContact O-N 2.98Å; N113-T116 WeakPolarHBondContact CA-OG1 3.33Å; N113-T116 HydrophobicContact CB-CG2 4.47Å; N113-T116 VanDerWaalsContact CB-OG1 3.25Å; N113-T116 WeakPolarHBondContact CB-OG1 3.31Å; N113-T116 PolarHBondContact N-OG1 3.23Å; N113-T116 PolarHBondContact O-N 3.47Å
114	D	81.4	Confident	88	Confident	75 Å²	75	54.8 Å²	54.8	40%	0.401	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.7	-179.8	-67.4	-25.3	0	0	0	115.4	R85 K87 F89	R85-D114 IonicContact CZ-OD1 2.74Å; R85-D114 IonicContact NH1-OD1 3.8Å; R85-D114 PolarHBondContact NH1-OD1 2.87Å; K87-D114 HydrophobicContact CD-CB 3.9Å; K87-D114 VanDerWaalsContact CE-CB 3.47Å; K87-D114 IonicContact NZ-OD2 2.76Å; F89-D114 WeakPolarHBondContact CZ-O 3.38Å
115	T	84.4	Confident	87.8	Confident	53 Å²	53	55.7 Å²	55.7	33%	0.325	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-4.2	178.3	56.5	0	0	0	0	114	A69 K87 F89 N113	A69-T115 HydrophobicContact CB-CG2 4.04Å; K87-T115 HydrophobicContact CD-CG2 3.85Å; F89-T115 HydrophobicContact CE1-CG2 4.4Å; F89-T115 HydrophobicContact CZ-CG2 4.44Å; N113-T115 PolarHBondContact O-N 2.98Å
116	T	87.3	Confident	87.3	Confident	34 Å²	34	54.8 Å²	54.8	21%	0.209	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.3	-175.2	57.6	0	0	0	0	110.9	T97 I112 N113	T97-T116 HydrophobicContact CG2-CG2 4.2Å; I112-T116 PolarHBondContact N-O 3.33Å; N113-T116 WeakPolarHBondContact CA-OG1 3.33Å; N113-T116 HydrophobicContact CB-CG2 4.47Å; N113-T116 VanDerWaalsContact CB-OG1 3.25Å; N113-T116 WeakPolarHBondContact CB-OG1 3.31Å; N113-T116 PolarHBondContact N-OG1 3.23Å; N113-T116 PolarHBondContact O-N 3.47Å
117	F	90.8	Very high	86.6	Confident	4 Å²	4	56 Å²	56	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	-178	-50	-72.4	0	0	0	109.6	A84 F89 F94 C96 T97 L103 L109 Y110 V111	A84-F117 HydrophobicContact CB-CE1 3.92Å; A84-F117 HydrophobicContact CB-CZ 3.87Å; F89-F117 HydrophobicContact CD1-CE2 4.12Å; F89-F117 HydrophobicContact CD2-CE2 4.42Å; F89-F117 HydrophobicContact CD2-CZ 4.33Å; F89-F117 AromaticContact CE1-CE2 3.75Å; F89-F117 HydrophobicContact CE1-CE2 3.75Å; F89-F117 HydrophobicContact CE1-CZ 4.08Å; F89-F117 HydrophobicContact CE2-CE2 4.1Å; F89-F117 AromaticContact CE2-CZ 3.71Å; F89-F117 HydrophobicContact CE2-CZ 3.71Å; F89-F117 HydrophobicContact CG-CE2 4.44Å; F89-F117 AromaticContact CZ-CE2 3.75Å; F89-F117 HydrophobicContact CZ-CE2 3.75Å; F89-F117 AromaticContact CZ-CZ 3.57Å; F89-F117 HydrophobicContact CZ-CZ 3.57Å; F94-F117 AromaticContact CD2-CD2 3.87Å; F94-F117 HydrophobicContact CD2-CD2 3.87Å; F94-F117 HydrophobicContact CD2-CE1 4.5Å; F94-F117 AromaticContact CD2-CE2 3.58Å; F94-F117 HydrophobicContact CD2-CE2 3.58Å; F94-F117 HydrophobicContact CD2-CG 4.45Å; F94-F117 AromaticContact CD2-CZ 3.94Å; F94-F117 HydrophobicContact CD2-CZ 3.94Å; F94-F117 AromaticContact CE2-CD1 3.91Å; F94-F117 HydrophobicContact CE2-CD1 3.91Å; F94-F117 AromaticContact CE2-CD2 3.83Å; F94-F117 HydrophobicContact CE2-CD2 3.83Å; F94-F117 AromaticContact CE2-CE1 3.65Å; F94-F117 HydrophobicContact CE2-CE1 3.65Å; F94-F117 AromaticContact CE2-CE2 3.56Å; F94-F117 HydrophobicContact CE2-CE2 3.56Å; F94-F117 HydrophobicContact CE2-CG 4.01Å; F94-F117 AromaticContact CE2-CZ 3.47Å; F94-F117 HydrophobicContact CE2-CZ 3.47Å; F94-F117 VanDerWaalsContact CE2-CZ 3.47Å; F94-F117 HydrophobicContact CZ-CD1 4.23Å; F94-F117 HydrophobicContact CZ-CE1 4.28Å; F94-F117 HydrophobicContact CZ-CG 4.41Å; C96-F117 CarbonylContact C-O 3.49Å; C96-F117 VanDerWaalsContact CA-O 3.27Å; C96-F117 WeakPolarHBondContact CA-O 3.23Å; T97-F117 PolarHBondContact N-O 3.48Å; T97-F117 PolarHBondContact OG1-O 3.42Å; L103-F117 HydrophobicContact CD1-CB 3.58Å; L103-F117 HydrophobicContact CD1-CG 4.43Å; L109-F117 HydrophobicContact CD1-CD1 4.03Å; Y110-F117 CarbonylContact O-C 3.57Å; Y110-F117 WeakPolarHBondContact O-CA 3.47Å; V111-F117 HydrophobicContact CG1-CD1 4.38Å; V111-F117 HydrophobicContact CG1-CE1 4.2Å; V111-F117 HydrophobicContact CG2-CD1 4.05Å; V111-F117 HydrophobicContact CG2-CE1 4.2Å
118	V	91.4	Very high	85.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	175.1	-178.3	0	0	0	0	108.8	V98 L109 Y110 I112 D122	V98-V118 HydrophobicContact CG2-CG1 4.31Å; V98-V118 HydrophobicContact CG2-CG2 4.49Å; L109-V118 CarbonylContact C-O 3.5Å; L109-V118 VanDerWaalsContact CA-O 3.28Å; L109-V118 WeakPolarHBondContact CA-O 3.31Å; Y110-V118 PolarHBondContact N-O 3.01Å; Y110-V118 PolarHBondContact O-N 2.98Å; I112-V118 HydrophobicContact CD1-CB 4.46Å; I112-V118 HydrophobicContact CD1-CG2 3.37Å; I112-V118 HydrophobicContact CG1-CG2 3.97Å; V118-D122 HydrophobicContact CG1-CB 3.66Å
119	C	92.5	Very high	84.3	Confident	16 Å²	16	65.8 Å²	65.8	11%	0.108	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	155.5	177.4	82.9	0	0	0	0	110.5	C96 L103 G121 D122 Y123	C96-C119 HydrophobicContact CB-CB 4.11Å; C96-C119 PolarHBondContact SG-N 3.43Å; L103-C119 HydrophobicContact CD2-CB 3.7Å; C119-G121 PolarHBondContact O-N 2.85Å; C119-G121 VanDerWaalsContact O-N 3.14Å; C119-D122 PolarHBondContact O-N 3.5Å; C119-D122 VanDerWaalsContact O-N 3.16Å; C119-D122 VanDerWaalsContact SG-CG 3.53Å; C119-D122 PolarHBondContact SG-N 3.22Å; C119-D122 VanDerWaalsContact SG-N 3.42Å; C119-D122 PolarHBondContact SG-OD2 2.62Å; C119-Y123 WeakPolarHBondContact O-CB 3.28Å; C119-Y123 PolarHBondContact O-N 3.04Å
120	K	89.9	Confident	82.7	Confident	86 Å²	86	67 Å²	67	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-49.5	-43.2	178.1	-174.1	-166.6	-165.9	160.6	0	113.6	Q108 Y110 Y123 L124	Q108-K120 HydrophobicContact CB-CB 3.99Å; Q108-K120 HydrophobicContact CB-CD 4.29Å; Q108-K120 PolarHBondContact O-N 3.35Å; Q108-K120 VanDerWaalsContact O-N 3.1Å; Q108-K120 VanDerWaalsContact OE1-CE 3.23Å; Y110-K120 HydrophobicContact CE2-CB 4.25Å; Y110-K120 HydrophobicContact CE2-CG 4.15Å; K120-Y123 PolarHBondContact O-N 2.96Å; K120-L124 HydrophobicContact CD-CD1 4.29Å; K120-L124 HydrophobicContact CG-CD1 3.85Å; K120-L124 HydrophobicContact CG-CG 4.28Å; K120-L124 WeakPolarHBondContact O-CB 3.34Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.41Å; K120-L124 PolarHBondContact O-N 3.29Å
121	G	89.1	Confident	80.6	Confident	38 Å²	38	73.1 Å²	73.1	39%	0.392	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-49.2	-178.7	0	0	0	0	0	112.3	C119 N125	C119-G121 PolarHBondContact O-N 2.85Å; C119-G121 VanDerWaalsContact O-N 3.14Å; G121-N125 WeakPolarHBondContact O-CB 3.22Å; G121-N125 PolarHBondContact O-N 3.08Å; G121-N125 PolarHBondContact O-OD1 3.14Å
122	D	90.3	Very high	78.4	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.134	43%	0.425	C	S	.	.	H	α-helix	trans	-69.7	-37.3	-180	-63.6	-36	0	0	0	111.7	C96 V98 C99 V118 C119 N125 V126	C96-D122 PolarHBondContact SG-OD2 3.43Å; V98-D122 HydrophobicContact CB-CB 3.89Å; V98-D122 HydrophobicContact CG1-CB 4.03Å; V98-D122 HydrophobicContact CG2-CB 4.19Å; C99-D122 VanDerWaalsContact CB-OD2 3.25Å; C99-D122 WeakPolarHBondContact CB-OD2 3.46Å; C99-D122 PolarHBondContact N-OD2 3.36Å; C99-D122 PolarHBondContact SG-OD2 2.97Å; V118-D122 HydrophobicContact CG1-CB 3.66Å; C119-D122 PolarHBondContact O-N 3.5Å; C119-D122 VanDerWaalsContact O-N 3.16Å; C119-D122 VanDerWaalsContact SG-CG 3.53Å; C119-D122 PolarHBondContact SG-N 3.22Å; C119-D122 VanDerWaalsContact SG-N 3.42Å; C119-D122 PolarHBondContact SG-OD2 2.62Å; D122-N125 PolarHBondContact O-N 3.48Å; D122-V126 VanDerWaalsContact O-CG2 3.28Å; D122-V126 WeakPolarHBondContact O-CG2 3.49Å; D122-V126 PolarHBondContact O-N 3.42Å
123	Y	89.1	Confident	76.1	Confident	53 Å²	53	73.3 Å²	73.3	21%	0.208	42%	0.417	C	S	.	.	H	α-helix	trans	-62.2	-47.4	177.6	-175.2	-98.5	0	0	0	111.6	Y110 C119 K120 N125 V126 N127 V138	Y110-Y123 AromaticContact CD1-CD1 3.71Å; Y110-Y123 HydrophobicContact CD1-CD1 3.71Å; Y110-Y123 HydrophobicContact CD1-CD2 4.11Å; Y110-Y123 AromaticContact CD1-CE1 3.64Å; Y110-Y123 HydrophobicContact CD1-CE1 3.64Å; Y110-Y123 HydrophobicContact CD1-CE2 4.06Å; Y110-Y123 AromaticContact CD1-CG 3.94Å; Y110-Y123 HydrophobicContact CD1-CG 3.94Å; Y110-Y123 AromaticContact CD1-CZ 3.83Å; Y110-Y123 AromaticContact CD2-CD1 3.44Å; Y110-Y123 HydrophobicContact CD2-CD1 3.44Å; Y110-Y123 VanDerWaalsContact CD2-CD1 3.44Å; Y110-Y123 AromaticContact CD2-CD2 3.96Å; Y110-Y123 HydrophobicContact CD2-CD2 3.96Å; Y110-Y123 HydrophobicContact CD2-CE1 4.25Å; Y110-Y123 AromaticContact CD2-CG 3.26Å; Y110-Y123 HydrophobicContact CD2-CG 3.26Å; Y110-Y123 AromaticContact CE1-CD1 3.69Å; Y110-Y123 HydrophobicContact CE1-CD1 3.69Å; Y110-Y123 AromaticContact CE1-CE1 3.58Å; Y110-Y123 HydrophobicContact CE1-CE1 3.58Å; Y110-Y123 HydrophobicContact CE1-CG 4.35Å; Y110-Y123 AromaticContact CE2-CD1 3.37Å; Y110-Y123 HydrophobicContact CE2-CD1 3.37Å; Y110-Y123 HydrophobicContact CE2-CE1 4.16Å; Y110-Y123 AromaticContact CE2-CG 3.71Å; Y110-Y123 HydrophobicContact CE2-CG 3.71Å; Y110-Y123 AromaticContact CG-CD1 3.6Å; Y110-Y123 HydrophobicContact CG-CD1 3.6Å; Y110-Y123 AromaticContact CG-CD2 3.61Å; Y110-Y123 HydrophobicContact CG-CD2 3.61Å; Y110-Y123 HydrophobicContact CG-CE1 4Å; Y110-Y123 HydrophobicContact CG-CE2 4.02Å; Y110-Y123 AromaticContact CG-CG 3.39Å; Y110-Y123 HydrophobicContact CG-CG 3.39Å; Y110-Y123 AromaticContact CZ-CD1 3.52Å; Y110-Y123 AromaticContact CZ-CE1 3.85Å; C119-Y123 WeakPolarHBondContact O-CB 3.28Å; C119-Y123 PolarHBondContact O-N 3.04Å; K120-Y123 PolarHBondContact O-N 2.96Å; Y123-N125 VanDerWaalsContact C-N 3.33Å; Y123-N125 PolarHBondContact O-N 3.45Å; Y123-V126 PolarHBondContact O-N 2.79Å; Y123-N127 WeakPolarHBondContact O-CB 3.39Å; Y123-N127 PolarHBondContact O-N 3.27Å; Y123-V138 WeakPolarHBondContact OH-CG1 3.26Å
124	L	88.2	Confident	74.3	Confident	75 Å²	75	75.6 Å²	75.6	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-33.9	176.7	-67.3	177	0	0	0	112.4	K120 N127 R128	K120-L124 HydrophobicContact CD-CD1 4.29Å; K120-L124 HydrophobicContact CG-CD1 3.85Å; K120-L124 HydrophobicContact CG-CG 4.28Å; K120-L124 WeakPolarHBondContact O-CB 3.34Å; K120-L124 VanDerWaalsContact O-CG 3.29Å; K120-L124 WeakPolarHBondContact O-CG 3.41Å; K120-L124 PolarHBondContact O-N 3.29Å; L124-N127 PolarHBondContact O-N 3.21Å; L124-R128 WeakPolarHBondContact O-CB 3.42Å; L124-R128 VanDerWaalsContact O-CG 3.31Å; L124-R128 WeakPolarHBondContact O-CG 3.48Å; L124-R128 PolarHBondContact O-N 3.25Å
125	N	85.4	Confident	72.4	Confident	93 Å²	93	77.2 Å²	77.2	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-68.5	-40.5	176.1	-75.7	-5.1	0	0	0	111.9	G121 D122 Y123 R128 N129	G121-N125 WeakPolarHBondContact O-CB 3.22Å; G121-N125 PolarHBondContact O-N 3.08Å; G121-N125 PolarHBondContact O-OD1 3.14Å; D122-N125 PolarHBondContact O-N 3.48Å; Y123-N125 VanDerWaalsContact C-N 3.33Å; Y123-N125 PolarHBondContact O-N 3.45Å; N125-R128 PolarHBondContact O-N 2.76Å; N125-N129 PolarHBondContact O-N 3.43Å
126	V	77.2	Confident	70.4	Confident	83 Å²	83	76.9 Å²	76.9	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-64.5	-45.5	174	173.3	0	0	0	0	110.1	D122 Y123 R128 N129 A130	D122-V126 VanDerWaalsContact O-CG2 3.28Å; D122-V126 WeakPolarHBondContact O-CG2 3.49Å; D122-V126 PolarHBondContact O-N 3.42Å; Y123-V126 PolarHBondContact O-N 2.79Å; V126-R128 PolarHBondContact O-N 2.95Å; V126-N129 PolarHBondContact O-N 3.43Å; V126-N129 VanDerWaalsContact O-N 3.08Å; V126-A130 WeakPolarHBondContact O-CB 3.31Å; V126-A130 PolarHBondContact O-N 3.32Å
127	N	71.8	Confident	68.4	Low	98 Å²	98	81.9 Å²	81.9	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-69.6	-17.7	178.9	-158.4	81.7	0	0	0	113.9	Y123 L124	Y123-N127 WeakPolarHBondContact O-CB 3.39Å; Y123-N127 PolarHBondContact O-N 3.27Å; L124-N127 PolarHBondContact O-N 3.21Å
128	R	68	Low	66.5	Low	214 Å²	214	85.8 Å²	85.8	81%	0.808	52%	0.522	S	S	*	.	H	α-helix	trans	-80.8	-28.4	170.7	-83.4	-178.2	156.6	-166	-7.4	112.7	L124 N125 V126	L124-R128 WeakPolarHBondContact O-CB 3.42Å; L124-R128 VanDerWaalsContact O-CG 3.31Å; L124-R128 WeakPolarHBondContact O-CG 3.48Å; L124-R128 PolarHBondContact O-N 3.25Å; N125-R128 PolarHBondContact O-N 2.76Å; V126-R128 PolarHBondContact O-N 2.95Å
129	N	60.4	Low	64.6	Low	150 Å²	150	93.5 Å²	93.5	80%	0.802	56%	0.558	S	S	*	*	H	α-helix	trans	-93.3	-21.9	179.5	-75.4	0.6	0	0	0	112.9	N125 V126	N125-N129 PolarHBondContact O-N 3.43Å; V126-N129 PolarHBondContact O-N 3.43Å; V126-N129 VanDerWaalsContact O-N 3.08Å
130	A	57.5	Low	62.4	Low	47 Å²	47	98.3 Å²	98.3	39%	0.388	58%	0.579	S	S	.	*	S	Bend	trans	-102	89.4	176.5	0	0	0	0	0	110	V126	V126-A130 WeakPolarHBondContact O-CB 3.31Å; V126-A130 PolarHBondContact O-N 3.32Å
131	E	43.7	Very low	60.6	Low	160 Å²	160	96.8 Å²	96.8	75%	0.748	58%	0.579	S	S	*	*			trans	70.8	128.1	150.1	-42.9	-169.7	151.7	0	0	116.1	G133	E131-G133 PolarHBondContact O-N 2.85Å; E131-G133 VanDerWaalsContact O-N 3.15Å
132	G	42	Very low	58.7	Low	100 Å²	100	102.9 Å²	102.9	100%	1.031	60%	0.597	S	S	*	*	S	Bend	cis	61.6	-8.6	46.2	0	0	0	0	0	113.7
133	G	36.4	Very low	56.7	Low	36 Å²	36	104.4 Å²	104.4	37%	0.371	61%	0.605	S	S	.	*			trans	-170.1	111.6	-166.2	0	0	0	0	0	114.9	E131	E131-G133 PolarHBondContact O-N 2.85Å; E131-G133 VanDerWaalsContact O-N 3.15Å
134	V	43.5	Very low	54.5	Low	144 Å²	144	105.8 Å²	105.8	87%	0.873	63%	0.627	S	S	*	*			trans	65.6	91.3	150.2	-165.5	0	0	0	0	116.8	G136	V134-G136 PolarHBondContact O-N 2.95Å; V134-G136 VanDerWaalsContact O-N 3.07Å
135	A	40.9	Very low	52.2	Low	109 Å²	109	105.1 Å²	105.1	90%	0.901	63%	0.627	S	S	*	*			trans	-63	101.7	162.3	0	0	0	0	0	110.9
136	G	42.9	Very low	50.2	Low	45 Å²	45	105.9 Å²	105.9	46%	0.464	64%	0.639	S	S	.	*			trans	-81.1	153	161.5	0	0	0	0	0	110.9	V134 V138	V134-G136 PolarHBondContact O-N 2.95Å; V134-G136 VanDerWaalsContact O-N 3.07Å; G136-V138 PolarHBondContact O-N 3.02Å
137	P	44.6	Very low	48.8	Very low	139 Å²	139	106.4 Å²	106.4	90%	0.903	65%	0.646	S	S	*	*			trans	-69	108.5	-174.5	28.3	-31.4	0	0	0	109.8
138	V	50.9	Low	47.5	Very low	87 Å²	87	106.4 Å²	106.4	53%	0.527	65%	0.652	S	S	.	*			trans	-91.2	112.4	177.5	-69.5	0	0	0	0	108.6	Y123 G136 E140	Y123-V138 WeakPolarHBondContact OH-CG1 3.26Å; G136-V138 PolarHBondContact O-N 3.02Å; V138-E140 PolarHBondContact O-N 3.01Å
139	E	51.9	Low	46.1	Very low	166 Å²	166	102.8 Å²	102.8	78%	0.776	65%	0.649	S	S	*	*			trans	-65.9	99.2	171.9	-98	-168	118.8	0	0	109.5	S141	E139-S141 PolarHBondContact O-N 2.91Å
140	E	46.5	Very low	45.5	Very low	117 Å²	117	101.4 Å²	101.4	55%	0.547	65%	0.651	S	S	.	*			trans	-67.4	84.6	168.4	-176.2	121.8	133.9	0	0	109.3	Y110 V138 Q142	Y110-E140 PolarHBondContact OH-OE2 3.27Å; Y110-E140 VanDerWaalsContact OH-OE2 3.13Å; V138-E140 PolarHBondContact O-N 3.01Å; E140-Q142 PolarHBondContact O-N 3.49Å
141	S	53.2	Low	44.4	Very low	53 Å²	53	104.1 Å²	104.1	37%	0.371	67%	0.665	S	S	.	*			trans	-86	98.3	175.5	-69.8	0	0	0	0	109.9	E139 I143	E139-S141 PolarHBondContact O-N 2.91Å; S141-I143 VanDerWaalsContact C-N 3.32Å; S141-I143 PolarHBondContact O-N 2.94Å
142	Q	48.2	Very low	44.3	Very low	167 Å²	167	100.7 Å²	100.7	78%	0.78	66%	0.658	S	S	*	*			trans	-66.4	95.1	160.9	-65.1	-177.9	10.7	0	0	107.9	E140 A144	E140-Q142 PolarHBondContact O-N 3.49Å; Q142-A144 PolarHBondContact O-N 3.32Å
143	I	49	Very low	44.2	Very low	56 Å²	56	101.2 Å²	101.2	29%	0.287	65%	0.646	S	S	.	*			trans	-72.3	86.2	175.6	-51.9	-178.7	0	0	0	107.8	L109 V111 S141 T145	L109-I143 HydrophobicContact CD1-CD1 3.93Å; V111-I143 HydrophobicContact CG2-CD1 4.15Å; S141-I143 VanDerWaalsContact C-N 3.32Å; S141-I143 PolarHBondContact O-N 2.94Å; I143-T145 PolarHBondContact O-N 2.88Å
144	A	41.5	Very low	44.8	Very low	82 Å²	82	102.1 Å²	102.1	68%	0.678	65%	0.645	S	S	*	*			trans	-59.5	109.5	159.5	0	0	0	0	0	106.3	Q142 S146	Q142-A144 PolarHBondContact O-N 3.32Å; A144-S146 PolarHBondContact O-N 3.39Å
145	T	41.8	Very low	45.1	Very low	62 Å²	62	99.9 Å²	99.9	38%	0.38	63%	0.632	S	S	.	*			trans	-67.6	82.8	174.3	14.7	0	0	0	0	107.6	T105 I143	T105-T145 VanDerWaalsContact CG2-OG1 3.23Å; T105-T145 WeakPolarHBondContact CG2-OG1 3.49Å; T105-T145 PolarHBondContact OG1-OG1 2.79Å; I143-T145 PolarHBondContact O-N 2.88Å
146	S	41.3	Very low	45.7	Very low	108 Å²	108	100.1 Å²	100.1	76%	0.755	62%	0.615	S	S	*	*			trans	-67.6	145.3	169.8	48.6	0	0	0	0	109.2	A144	A144-S146 PolarHBondContact O-N 3.39Å
147	S	48.3	Very low	46.3	Very low	94 Å²	94	99.2 Å²	99.2	66%	0.657	60%	0.6	S	S	*	*			trans	-53.3	155.5	-171.2	-59.3	0	0	0	0	113.9	D149	S147-D149 PolarHBondContact O-N 2.87Å
148	P	45.6	Very low	47	Very low	98 Å²	98	97.5 Å²	97.5	64%	0.636	59%	0.587	S	S	*	*	S	Bend	trans	-79.5	86.5	-175.5	34.2	-31.2	0	0	0	109.1
149	D	38.4	Very low	47.1	Very low	139 Å²	139	94.3 Å²	94.3	74%	0.743	57%	0.567	S	S	*	*			trans	-145	100.5	169.7	-75.1	-51.8	0	0	0	106.9	S147	S147-D149 PolarHBondContact O-N 2.87Å
150	S	47.7	Very low	47	Very low	121 Å²	121	90.2 Å²	90.2	85%	0.846	55%	0.553	S	S	*	*			trans	132.6	88.3	158.6	-172	0	0	0	0	114.4
151	C	34.5	Very low	47.3	Very low	103 Å²	103	88 Å²	88	70%	0.696	55%	0.551	S	S	*	*			trans	173.9	152.7	130.1	58.9	0	0	0	0	109.9
152	C	40.7	Very low	47	Very low	88 Å²	88	92.9 Å²	92.9	60%	0.595	57%	0.565	S	S	*	*			trans	77.8	88.6	-173.3	-70.8	0	0	0	0	116.4	V66 P154	V66-C152 HydrophobicContact CG2-CB 4.25Å; C152-P154 WeakPolarHBondContact O-CD 3.41Å
153	S	40.1	Very low	46.8	Very low	112 Å²	112	88.2 Å²	88.2	78%	0.783	55%	0.551	S	S	*	*			trans	-78.3	115.1	153.7	-58.6	0	0	0	0	109.8
154	P	50.3	Low	46.4	Very low	54 Å²	54	93.1 Å²	93.1	35%	0.351	58%	0.578	S	S	.	*			trans	-99.9	130.7	150.2	31	-29	0	0	0	109.2	F60 C152 Q156	F60-P154 HydrophobicContact CE1-CB 3.82Å; F60-P154 HydrophobicContact CZ-CB 4.04Å; C152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-Q156 PolarHBondContact O-N 3.38Å
155	T	48.5	Very low	46.4	Very low	98 Å²	98	94.7 Å²	94.7	60%	0.601	58%	0.575	S	S	*	*			trans	-61.5	96.7	173.6	-50.7	0	0	0	0	109.3	L25 V157	L25-T155 HydrophobicContact CD2-CG2 4.14Å; T155-V157 HydrophobicContact CG2-CG1 4.23Å
156	Q	54.1	Low	46.4	Very low	114 Å²	114	97.3 Å²	97.3	53%	0.533	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.8	120.4	170.5	-71.6	-178.5	7.5	0	0	108	F48 P154	F48-Q156 HydrophobicContact CE1-CG 3.74Å; F48-Q156 HydrophobicContact CZ-CG 4.23Å; P154-Q156 PolarHBondContact O-N 3.38Å
157	V	54.8	Low	46.5	Very low	25 Å²	25	100.9 Å²	100.9	15%	0.152	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	122.3	172.9	-73.1	0	0	0	0	109	V24 L25 T155	V24-V157 HydrophobicContact CG1-CG2 3.84Å; L25-V157 HydrophobicContact CD2-CG1 3.47Å; L25-V157 VanDerWaalsContact CD2-CG1 3.47Å; L25-V157 HydrophobicContact CG-CG1 4.02Å; T155-V157 HydrophobicContact CG2-CG1 4.23Å
158	T	60	Low	46	Very low	103 Å²	103	100 Å²	100	63%	0.632	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.8	128.6	168.9	-60.9	0	0	0	0	108	T160	T158-T160 PolarHBondContact O-N 3.21Å
159	L	52.4	Low	45.5	Very low	20 Å²	20	106.8 Å²	106.8	11%	0.105	62%	0.617	C	S	.	*			trans	-70.6	120.8	175.5	-74.5	148.1	0	0	0	108.7	Y22 V24 I34 D45 C47	Y22-L159 HydrophobicContact CD1-CB 4.15Å; Y22-L159 HydrophobicContact CD1-CD2 3.58Å; Y22-L159 HydrophobicContact CD1-CG 4.34Å; Y22-L159 HydrophobicContact CE1-CD2 4.49Å; Y22-L159 HydrophobicContact CG-CD2 4.11Å; V24-L159 HydrophobicContact CG2-CD2 3.5Å; V24-L159 VanDerWaalsContact CG2-CD2 3.5Å; I34-L159 HydrophobicContact CD1-CD1 3.86Å; I34-L159 HydrophobicContact CD1-CD2 3.25Å; I34-L159 HydrophobicContact CD1-CG 4.2Å; D45-L159 WeakPolarHBondContact O-CD1 3.25Å; C47-L159 HydrophobicContact CB-CD1 4.33Å
160	T	51.1	Low	45.7	Very low	80 Å²	80	105.8 Å²	105.8	49%	0.491	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	115.9	171.7	59.6	0	0	0	0	108.9	T158	T158-T160 PolarHBondContact O-N 3.21Å
161	S	51.9	Low	45.2	Very low	72 Å²	72	102.9 Å²	102.9	50%	0.503	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	126.9	166.7	-45.2	0	0	0	0	108.3
162	K	46.4	Very low	45.5	Very low	154 Å²	154	104 Å²	104	67%	0.67	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-99.2	122.2	168	-72.7	-172.9	170.5	-168.4	0	108
163	S	45	Very low	45.3	Very low	69 Å²	69	108 Å²	108	48%	0.483	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-98.3	139.2	160.7	56.6	0	0	0	0	108.8	D165	S163-D165 VanDerWaalsContact CB-OD2 3.3Å; S163-D165 WeakPolarHBondContact CB-OD2 3.08Å; S163-D165 PolarHBondContact OG-OD2 2.77Å
164	D	41	Very low	45.4	Very low	159 Å²	159	109 Å²	109	85%	0.85	63%	0.626	S	S	*	*			trans	-100.3	104.8	168.2	-139	-32.9	0	0	0	105.5
165	D	41	Very low	45.3	Very low	116 Å²	116	111.4 Å²	111.4	62%	0.62	64%	0.641	S	S	*	*			trans	-110.5	111.4	-174.5	-73.2	-64.9	0	0	0	109.7	S163	S163-D165 VanDerWaalsContact CB-OD2 3.3Å; S163-D165 WeakPolarHBondContact CB-OD2 3.08Å; S163-D165 PolarHBondContact OG-OD2 2.77Å
166	T	41.7	Very low	44.9	Very low	116 Å²	116	111.9 Å²	111.9	71%	0.712	65%	0.648	S	S	*	*			trans	-118.8	115.9	175	-56.9	0	0	0	0	109.3
167	M	43.3	Very low	44.2	Very low	184 Å²	184	109.2 Å²	109.2	91%	0.906	65%	0.651	S	S	*	*			trans	71.6	127.6	158.7	-56.8	-67.6	178.7	0	0	120.7
168	G	36.5	Very low	44	Very low	75 Å²	75	117 Å²	117	77%	0.773	69%	0.689	S	S	*	*			trans	138.8	77.7	137.2	0	0	0	0	0	120.4
169	R	36.8	Very low	43.2	Very low	240 Å²	240	116.4 Å²	116.4	91%	0.906	69%	0.694	S	S	*	*			trans	66.2	127.7	132.1	-103.6	177.2	154.1	-150.7	-5.2	123.9
170	S	41.8	Very low	42.6	Very low	118 Å²	118	120.3 Å²	120.3	83%	0.825	73%	0.729	S	S	*	*			trans	61.6	135.7	141.9	-65.8	0	0	0	0	120
171	G	36.6	Very low	42	Very low	61 Å²	61	119.3 Å²	119.3	63%	0.629	73%	0.734	S	S	*	*			cis	-173.7	161.4	5.6	0	0	0	0	0	111.5
172	T	40.5	Very low	41.8	Very low	125 Å²	125	124.5 Å²	124.5	77%	0.767	75%	0.751	S	S	*	*			trans	53	142.9	152.4	56.5	0	0	0	0	118.9
173	E	38.5	Very low	41.4	Very low	173 Å²	173	124.4 Å²	124.4	81%	0.808	76%	0.757	S	S	*	*			cis	-162.1	149.7	22	14.5	-135.9	102.7	0	0	109.2
174	T	42.3	Very low	41	Very low	134 Å²	134	124.1 Å²	124.1	82%	0.822	77%	0.766	S	S	*	*			trans	-122.9	-164.9	-178.8	-1.1	0	0	0	0	107
175	P	48	Very low	40.8	Very low	103 Å²	103	122.4 Å²	122.4	67%	0.669	76%	0.761	S	S	*	*			cis	-138.3	-165.2	-37.7	29.6	-7.3	0	0	0	112.4
176	S	39.9	Very low	40.5	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	77%	0.765	S	S	*	*			trans	94.9	146.2	146	-44.5	0	0	0	0	117.4
177	G	39.4	Very low	40.5	Very low	58 Å²	58	123.1 Å²	123.1	60%	0.598	77%	0.77	S	S	*	*			cis	-160.3	158.6	15	0	0	0	0	0	112
178	M	50.6	Low	40.1	Very low	190 Å²	190	121.3 Å²	121.3	94%	0.936	76%	0.764	S	S	*	*				88.6	139.1	101.4	-68.7	167.9	177.5	0	0	111.8
179	A	43.7	Very low	40.3	Very low	90 Å²	90	122.2 Å²	122.2	74%	0.744	76%	0.764	S	S	*	*			cis	-158.7	145.1	19.4	0	0	0	0	0	108.2
180	A	38.7	Very low	40.3	Very low	101 Å²	101	113.6 Å²	113.6	84%	0.835	75%	0.75	S	S	*	*				49.9	140.2	84.8	0	0	0	0	0	114.3
181	G	37.7	Very low	40	Very low	59 Å²	59	114.2 Å²	114.2	61%	0.608	75%	0.748	S	S	*	*			cis	-162	164.7	16.8	0	0	0	0	0	110.9
182	Q	49	Very low	40.3	Very low	182 Å²	182	115.9 Å²	115.9	85%	0.85	75%	0.751	S	S	*	*				76.4	145.6	96.3	-69.3	-175.8	67	0	0	113.6
183	N	37.9	Very low	40.5	Very low	151 Å²	151	118.3 Å²	118.3	81%	0.807	75%	0.753	S	S	*	*			cis	178.4	154.5	-20.9	-141.9	-2.5	0	0	0	105
184	G	36.3	Very low	40.7	Very low	64 Å²	64	115 Å²	115	66%	0.66	75%	0.749	S	S	*	*			trans	75.2	159.5	157.2	0	0	0	0	0	117.4
185	T	36.8	Very low	41	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	74%	0.744	S	S	*	*			cis	-176	122.8	10.8	-88.7	0	0	0	0	106.9
186	T	35.7	Very low	40.8	Very low	113 Å²	113	114.1 Å²	114.1	69%	0.693	75%	0.751	S	S	*	*			trans	62.9	157.5	136.8	66.7	0	0	0	0	124.5
187	T	41.5	Very low	40.7	Very low	133 Å²	133	113.1 Å²	113.1	82%	0.816	76%	0.758	S	S	*	*			trans	89.5	146.3	155.9	70.3	0	0	0	0	116.2
188	D	34.2	Very low	40.5	Very low	147 Å²	147	114.2 Å²	114.2	79%	0.786	77%	0.769	S	S	*	*			cis	178.7	160	-25.5	-176.3	-101.8	0	0	0	103.5
189	A	39.7	Very low	39.8	Very low	93 Å²	93	109.4 Å²	109.4	77%	0.769	77%	0.768	S	S	*	*			trans	66.4	144.2	167.3	0	0	0	0	0	117.7
190	G	37.4	Very low	39.5	Very low	60 Å²	60	109.2 Å²	109.2	62%	0.619	78%	0.775	S	S	*	*			cis	-169.2	146.4	3.1	0	0	0	0	0	108
191	V	36.7	Very low	39.7	Very low	130 Å²	130	108.3 Å²	108.3	79%	0.788	78%	0.775	S	S	*	*				70.2	108.8	109.2	-179.9	0	0	0	0	112.7
192	S	42.5	Very low	39.6	Very low	97 Å²	97	109.8 Å²	109.8	68%	0.678	79%	0.791	S	S	*	*				-173.8	125.4	83.3	-58.9	0	0	0	0	110
193	Q	43.2	Very low	39.7	Very low	175 Å²	175	104.5 Å²	104.5	82%	0.818	78%	0.778	S	S	*	*				60.4	122	101.5	-58.5	179.2	31.8	0	0	114.1
194	S	43.4	Very low	40.2	Very low	103 Å²	103	107.8 Å²	107.8	72%	0.72	79%	0.785	S	S	*	*				-179.1	134.4	64.3	47.3	0	0	0	0	110.3
195	S	48.5	Very low	41.1	Very low	104 Å²	104	115.5 Å²	115.5	73%	0.727	80%	0.795	S	S	*	*				71.2	133.5	115.5	67.6	0	0	0	0	116.5
196	S	44.7	Very low	42.3	Very low	115 Å²	115	121 Å²	121	80%	0.804	80%	0.802	S	S	*	*			cis	-173.5	151.3	7.4	-83	0	0	0	0	109.7
197	G	37.5	Very low	43.7	Very low	87 Å²	87	118.4 Å²	118.4	90%	0.897	80%	0.797	S	S	*	*			trans	81.3	129.3	153.6	0	0	0	0	0	116.8
198	G	35.3	Very low	45.3	Very low	82 Å²	82	118.4 Å²	118.4	85%	0.845	80%	0.799	S	S	*	*			cis	165.9	142.3	3.3	0	0	0	0	0	108.2
199	G	34.8	Very low	47.3	Very low	89 Å²	89	122.3 Å²	122.3	92%	0.918	80%	0.803	S	S	*	*			trans	96	117.6	155.6	0	0	0	0	0	118.8
200	G	37.3	Very low	49.3	Very low	85 Å²	85	122.1 Å²	122.1	88%	0.876	79%	0.792	S	S	*	*			trans	123.4	104.7	133.5	0	0	0	0	0	119
201	G	42.8	Very low	51.7	Low	82 Å²	82	125.1 Å²	125.1	85%	0.845	80%	0.799	S	S	*	*			trans	85	91	130.3	0	0	0	0	0	118.6	A203	G201-A203 PolarHBondContact O-N 2.99Å
202	G	35.8	Very low	54.2	Low	91 Å²	91	121.1 Å²	121.1	94%	0.938	77%	0.772	S	S	*	*			trans	-66.2	117.3	173	0	0	0	0	0	114.7
203	A	52.1	Low	56.6	Low	71 Å²	71	123.9 Å²	123.9	59%	0.587	77%	0.772	S	S	*	*			trans	-133.1	131.9	142.3	0	0	0	0	0	105.5	G201 R205	G201-A203 PolarHBondContact O-N 2.99Å; A203-R205 HydrophobicContact CB-CG 4.49Å; A203-R205 PolarHBondContact O-N 3.32Å
204	K	48.7	Very low	59	Low	219 Å²	219	119.6 Å²	119.6	95%	0.952	77%	0.767	S	S	*	*			trans	-65.1	71.1	179.5	-72.8	172.2	178.7	167.9	0	110.5	R206	K204-R206 PolarHBondContact O-N 2.78Å; K204-R206 VanDerWaalsContact O-N 3.15Å
205	R	54.1	Low	61.3	Low	227 Å²	227	122.8 Å²	122.8	86%	0.857	77%	0.768	S	S	*	*			trans	-73.8	105	173.5	-68.6	-164.5	173.6	-147.6	-0.8	106.2	A203 G207	A203-R205 HydrophobicContact CB-CG 4.49Å; A203-R205 PolarHBondContact O-N 3.32Å; R205-G207 PolarHBondContact O-N 3.43Å
206	R	62.3	Low	63.5	Low	239 Å²	239	119.5 Å²	119.5	90%	0.902	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-49.8	118.8	167.5	-67.4	176.7	179.3	-99.1	2	106.2	K204	K204-R206 PolarHBondContact O-N 2.78Å; K204-R206 VanDerWaalsContact O-N 3.15Å
207	G	64.4	Low	65.9	Low	57 Å²	57	116.6 Å²	116.6	59%	0.588	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-55.1	163.2	-176	0	0	0	0	0	112.5	R205 R209	R205-G207 PolarHBondContact O-N 3.43Å; G207-R209 PolarHBondContact O-N 3.17Å
208	P	75.8	Confident	68.7	Low	134 Å²	134	119 Å²	119	87%	0.87	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-47.6	124.6	-177.5	-27.4	34.1	0	0	0	111.7	T210	P208-T210 PolarHBondContact O-N 3.06Å
209	R	76	Confident	71.5	Confident	229 Å²	229	117.2 Å²	117.2	86%	0.864	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-71.1	120.1	177.1	-174.2	178.5	-176.7	92.8	-1.8	108.2	G207 T211	G207-R209 PolarHBondContact O-N 3.17Å; R209-T211 PolarHBondContact O-N 2.98Å
210	T	81.9	Confident	74.5	Confident	88 Å²	88	113 Å²	113	54%	0.54	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-65.7	124.7	175.5	55.9	0	0	0	0	110.6	P208 V248	P208-T210 PolarHBondContact O-N 3.06Å; T210-V248 HydrophobicContact CG2-CG2 3.99Å
211	T	87.4	Confident	77.2	Confident	123 Å²	123	113.9 Å²	113.9	76%	0.755	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-94.8	121.9	172.8	-58	0	0	0	0	109.5	R209	R209-T211 PolarHBondContact O-N 2.98Å
212	I	89.8	Confident	79.8	Confident	46 Å²	46	113 Å²	113	24%	0.236	60%	0.597	C	S	.	*	P	Polyproline II helix	trans	-88.9	120.8	178.1	-60.3	170.2	0	0	0	108.1	Q216 L217 L220 L244 V248 W252	I212-Q216 HydrophobicContact CG2-CB 3.75Å; I212-L217 HydrophobicContact CG2-CB 4.21Å; I212-L220 HydrophobicContact CD1-CD1 4.38Å; I212-L220 HydrophobicContact CG2-CD1 4.13Å; I212-L244 HydrophobicContact CG1-CD1 4.26Å; I212-L244 HydrophobicContact CG2-CD1 4.17Å; I212-V248 HydrophobicContact CD1-CG1 4.13Å; I212-V248 HydrophobicContact CG1-CG1 4.32Å; I212-W252 VanDerWaalsContact CD1-CD1 3.42Å; I212-W252 HydrophobicContact CD1-CG 4.26Å
213	K	92.7	Very high	82.6	Confident	155 Å²	155	109.4 Å²	109.4	67%	0.674	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-69.2	160.4	180	-63.8	-177.5	177.5	179.2	0	111.6	K215 Q216 L217	K213-K215 PolarHBondContact O-N 3.3Å; K213-Q216 HydrophobicContact CB-CG 4.31Å; K213-Q216 WeakPolarHBondContact O-CB 3.3Å; K213-Q216 PolarHBondContact O-N 3.13Å; K213-L217 PolarHBondContact O-N 2.97Å
214	A	92.8	Very high	84.7	Confident	85 Å²	85	106.8 Å²	106.8	70%	0.702	53%	0.534	S	S	*	.	H	α-helix	trans	-55.9	-49	-176.7	0	0	0	0	0	113.4	Q216 L217 E218	A214-Q216 PolarHBondContact O-N 2.81Å; A214-L217 WeakPolarHBondContact O-CB 3.36Å; A214-L217 PolarHBondContact O-N 3.3Å; A214-L217 VanDerWaalsContact O-N 3.14Å; A214-E218 PolarHBondContact O-N 2.99Å
215	K	92.9	Very high	86.9	Confident	171 Å²	171	100.4 Å²	100.4	74%	0.743	52%	0.522	S	S	*	.	H	α-helix	trans	-58.6	-44.1	176.8	-173.4	179.1	179.6	-179.7	0	112.4	K213 L217 E218 T219	K213-K215 PolarHBondContact O-N 3.3Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.98Å; K215-E218 WeakPolarHBondContact O-CB 3.42Å; K215-E218 PolarHBondContact O-N 2.94Å; K215-T219 PolarHBondContact O-N 3.46Å; K215-T219 PolarHBondContact O-OG1 3.49Å
216	Q	94.9	Very high	88.9	Confident	34 Å²	34	93.4 Å²	93.4	16%	0.159	51%	0.513	C	S	.	.	H	α-helix	trans	-63.3	-39.6	177	-62.4	170.5	-37.1	0	0	111.4	I212 K213 A214 E218 L220 T242 L244	I212-Q216 HydrophobicContact CG2-CB 3.75Å; K213-Q216 HydrophobicContact CB-CG 4.31Å; K213-Q216 WeakPolarHBondContact O-CB 3.3Å; K213-Q216 PolarHBondContact O-N 3.13Å; A214-Q216 PolarHBondContact O-N 2.81Å; Q216-E218 VanDerWaalsContact C-N 3.31Å; Q216-E218 PolarHBondContact O-N 2.84Å; Q216-L220 WeakPolarHBondContact O-CB 3.46Å; Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.47Å; Q216-L220 PolarHBondContact O-N 3.38Å; Q216-L220 VanDerWaalsContact O-N 3.08Å; Q216-T242 HydrophobicContact CB-CG2 4.39Å; Q216-T242 PolarHBondContact NE2-O 3.03Å; Q216-L244 HydrophobicContact CB-CD1 4.23Å
217	L	95.1	Very high	90.3	Very high	54 Å²	54	84.5 Å²	84.5	28%	0.283	49%	0.485	S	S	.	.	H	α-helix	trans	-66.5	-33.9	178.3	-174.1	66.1	0	0	0	112	I212 K213 A214 K215 K221 W252	I212-L217 HydrophobicContact CG2-CB 4.21Å; K213-L217 PolarHBondContact O-N 2.97Å; A214-L217 WeakPolarHBondContact O-CB 3.36Å; A214-L217 PolarHBondContact O-N 3.3Å; A214-L217 VanDerWaalsContact O-N 3.14Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.98Å; L217-K221 HydrophobicContact CG-CD 4.26Å; L217-K221 WeakPolarHBondContact O-CB 3.05Å; L217-K221 WeakPolarHBondContact O-CG 3.24Å; L217-K221 PolarHBondContact O-N 3.34Å; L217-W252 HydrophobicContact CD1-CZ2 3.91Å
218	E	95	Very high	91.7	Very high	139 Å²	139	84.8 Å²	84.8	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-65.4	-50	175.7	-171.2	166.5	-155.9	0	0	111.6	A214 K215 Q216 L220 K221 A222	A214-E218 PolarHBondContact O-N 2.99Å; K215-E218 WeakPolarHBondContact O-CB 3.42Å; K215-E218 PolarHBondContact O-N 2.94Å; Q216-E218 VanDerWaalsContact C-N 3.31Å; Q216-E218 PolarHBondContact O-N 2.84Å; E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 3.39Å; E218-K221 PolarHBondContact O-N 3.37Å; E218-K221 VanDerWaalsContact O-N 3.12Å; E218-A222 PolarHBondContact O-N 3.45Å
219	T	95.4	Very high	92.6	Very high	43 Å²	43	86.4 Å²	86.4	26%	0.264	47%	0.47	S	S	.	.	H	α-helix	trans	-55.3	-45.8	173.7	-49.3	0	0	0	0	111.6	K215 K221 A222 A223 L238 T242	K215-T219 PolarHBondContact O-N 3.46Å; K215-T219 PolarHBondContact O-OG1 3.49Å; T219-K221 PolarHBondContact O-N 2.93Å; T219-A222 PolarHBondContact O-N 3.12Å; T219-A223 WeakPolarHBondContact O-CB 3.24Å; T219-A223 PolarHBondContact O-N 2.94Å; T219-L238 HydrophobicContact CG2-CD2 3.83Å; T219-T242 HydrophobicContact CG2-CG2 4.14Å
220	L	96.5	Very high	93.4	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-63.5	-39	177.9	-74.2	172.5	0	0	0	113.1	I212 Q216 E218 F224 L238 L244 I249 W252 F253	I212-L220 HydrophobicContact CD1-CD1 4.38Å; I212-L220 HydrophobicContact CG2-CD1 4.13Å; Q216-L220 WeakPolarHBondContact O-CB 3.46Å; Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.47Å; Q216-L220 PolarHBondContact O-N 3.38Å; Q216-L220 VanDerWaalsContact O-N 3.08Å; E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 3.39Å; L220-F224 WeakPolarHBondContact O-CB 3.46Å; L220-F224 PolarHBondContact O-N 3.02Å; L220-L238 HydrophobicContact CD2-CD1 4.49Å; L220-L244 HydrophobicContact CD1-CD1 4.08Å; L220-I249 HydrophobicContact CD2-CD1 3.7Å; L220-I249 HydrophobicContact CD2-CG2 4.4Å; L220-W252 VanDerWaalsContact C-CH2 3.49Å; L220-W252 HydrophobicContact CB-CD2 4.1Å; L220-W252 HydrophobicContact CB-CE3 4.06Å; L220-W252 HydrophobicContact CB-CH2 3.69Å; L220-W252 HydrophobicContact CB-CZ2 3.7Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.89Å; L220-W252 HydrophobicContact CD1-CE3 4.44Å; L220-W252 HydrophobicContact CD1-CG 3.93Å; L220-W252 HydrophobicContact CD2-CD2 4.39Å; L220-W252 HydrophobicContact CD2-CE3 4.14Å; L220-W252 HydrophobicContact CG-CD2 4.38Å; L220-W252 HydrophobicContact CG-CE3 4.47Å; L220-W252 VanDerWaalsContact O-CH2 3.27Å; L220-W252 WeakPolarHBondContact O-CH2 3.49Å; L220-W252 WeakPolarHBondContact O-CZ3 3.42Å; L220-F253 HydrophobicContact CD2-CE2 3.85Å
221	K	95.7	Very high	94.1	Very high	104 Å²	104	75.9 Å²	75.9	45%	0.452	43%	0.431	S	S	.	.	H	α-helix	trans	-67.4	-43	176.6	-78.1	170	177.4	174.7	0	111.5	L217 E218 T219 F224 A225 W252	L217-K221 HydrophobicContact CG-CD 4.26Å; L217-K221 WeakPolarHBondContact O-CB 3.05Å; L217-K221 WeakPolarHBondContact O-CG 3.24Å; L217-K221 PolarHBondContact O-N 3.34Å; E218-K221 PolarHBondContact O-N 3.37Å; E218-K221 VanDerWaalsContact O-N 3.12Å; T219-K221 PolarHBondContact O-N 2.93Å; K221-F224 PolarHBondContact O-N 3.49Å; K221-A225 PolarHBondContact O-N 2.98Å; K221-W252 HydrophobicContact CG-CH2 4.48Å; K221-W252 HydrophobicContact CG-CZ2 4.33Å
222	A	95.7	Very high	94.4	Very high	63 Å²	63	78.6 Å²	78.6	52%	0.521	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-47.5	176.5	0	0	0	0	0	111.1	E218 T219 F224 A225 A226	E218-A222 PolarHBondContact O-N 3.45Å; T219-A222 PolarHBondContact O-N 3.12Å; A222-F224 VanDerWaalsContact C-N 3.33Å; A222-F224 PolarHBondContact O-N 2.85Å; A222-A225 WeakPolarHBondContact O-CB 3.43Å; A222-A225 PolarHBondContact O-N 3.27Å; A222-A226 PolarHBondContact O-N 3.34Å
223	A	96	Very high	94.6	Very high	17 Å²	17	82.5 Å²	82.5	14%	0.14	45%	0.445	C	S	.	.	H	α-helix	trans	-63.2	-36.5	176.2	0	0	0	0	0	113.1	T219 A226 T227 L238 F253	T219-A223 WeakPolarHBondContact O-CB 3.24Å; T219-A223 PolarHBondContact O-N 2.94Å; A223-A226 PolarHBondContact O-N 2.86Å; A223-T227 PolarHBondContact O-N 3.36Å; A223-L238 HydrophobicContact CB-CD1 3.78Å; A223-L238 HydrophobicContact CB-CD2 3.84Å; A223-L238 HydrophobicContact CB-CG 4.39Å; A223-F253 HydrophobicContact CB-CZ 4.12Å
224	F	96.4	Very high	94.8	Very high	15 Å²	15	77.4 Å²	77.4	7%	0.066	42%	0.424	C	S	.	.	H	α-helix	trans	-66.1	-36.2	175.1	-174.4	-91.4	0	0	0	113.2	L220 K221 A222 A226 T227 P228 W252 F253 R256 R257 E260	L220-F224 WeakPolarHBondContact O-CB 3.46Å; L220-F224 PolarHBondContact O-N 3.02Å; K221-F224 PolarHBondContact O-N 3.49Å; A222-F224 VanDerWaalsContact C-N 3.33Å; A222-F224 PolarHBondContact O-N 2.85Å; F224-A226 VanDerWaalsContact C-N 3.32Å; F224-T227 CarbonylContact O-C 3.59Å; F224-P228 HydrophobicContact CD2-CB 4.41Å; F224-P228 HydrophobicContact CE2-CB 3.93Å; F224-P228 HydrophobicContact CZ-CB 3.99Å; F224-P228 WeakPolarHBondContact O-CD 3.44Å; F224-W252 HydrophobicContact CB-CH2 4.03Å; F224-W252 HydrophobicContact CB-CZ3 3.96Å; F224-W252 HydrophobicContact CD2-CZ3 4.23Å; F224-W252 HydrophobicContact CG-CH2 4.5Å; F224-W252 HydrophobicContact CG-CZ3 4.38Å; F224-F253 HydrophobicContact CB-CE1 3.94Å; F224-F253 HydrophobicContact CB-CZ 4.45Å; F224-F253 AromaticContact CD2-CD1 3.68Å; F224-F253 HydrophobicContact CD2-CD1 3.68Å; F224-F253 AromaticContact CD2-CE1 3.78Å; F224-F253 HydrophobicContact CD2-CE1 3.78Å; F224-F253 HydrophobicContact CE2-CD1 4.42Å; F224-F253 HydrophobicContact CG-CE1 4.36Å; F224-R256 HydrophobicContact CD1-CG 4.05Å; F224-R256 HydrophobicContact CD2-CB 4.19Å; F224-R256 HydrophobicContact CD2-CG 3.53Å; F224-R256 HydrophobicContact CE1-CG 3.93Å; F224-R256 HydrophobicContact CE2-CB 3.97Å; F224-R256 HydrophobicContact CE2-CG 3.4Å; F224-R256 HydrophobicContact CG-CG 3.87Å; F224-R256 HydrophobicContact CZ-CG 3.61Å; F224-R257 HydrophobicContact CE2-CG 3.78Å; F224-R257 HydrophobicContact CZ-CG 4.26Å; F224-E260 VanDerWaalsContact CE1-OE2 3.24Å; F224-E260 WeakPolarHBondContact CE1-OE2 3.46Å; F224-E260 WeakPolarHBondContact CZ-OE2 3.32Å
225	A	94.6	Very high	94.9	Very high	85 Å²	85	76.2 Å²	76.2	70%	0.702	40%	0.402	S	S	*	.	H	α-helix	trans	-65.7	-37.3	175.4	0	0	0	0	0	111.5	K221 A222	K221-A225 PolarHBondContact O-N 2.98Å; A222-A225 WeakPolarHBondContact O-CB 3.43Å; A222-A225 PolarHBondContact O-N 3.27Å
226	A	94.8	Very high	95.1	Very high	80 Å²	80	71 Å²	71	66%	0.661	38%	0.38	S	S	*	.	H	α-helix	trans	-72	-53.1	175.3	0	0	0	0	0	112.4	A222 A223 F224	A222-A226 PolarHBondContact O-N 3.34Å; A223-A226 PolarHBondContact O-N 2.86Å; F224-A226 VanDerWaalsContact C-N 3.32Å
227	T	92.5	Very high	95.1	Very high	53 Å²	53	73.5 Å²	73.5	33%	0.325	39%	0.392	S	S	.	.			trans	-139.8	100.6	-179.5	58.6	0	0	0	0	111.9	A223 F224 K229 P230	A223-T227 PolarHBondContact O-N 3.36Å; F224-T227 CarbonylContact O-C 3.59Å; T227-K229 PolarHBondContact O-N 2.94Å; T227-P230 WeakPolarHBondContact O-CD 3.43Å
228	P	93.9	Very high	95.2	Very high	62 Å²	62	71.3 Å²	71.3	40%	0.403	38%	0.38	S	S	.	.	S	Bend	trans	-61.1	-19.2	179.3	-26.4	34.3	0	0	0	114.6	F224 R257	F224-P228 HydrophobicContact CD2-CB 4.41Å; F224-P228 HydrophobicContact CE2-CB 3.93Å; F224-P228 HydrophobicContact CZ-CB 3.99Å; F224-P228 WeakPolarHBondContact O-CD 3.44Å; P228-R257 WeakPolarHBondContact O-CD 3.45Å; P228-R257 PolarHBondContact O-NH1 3.09Å
229	K	94.3	Very high	95.2	Very high	169 Å²	169	65.5 Å²	65.5	74%	0.735	36%	0.356	S	S	*	.	S	Bend	trans	-123.4	76.1	175.7	-67.5	-179.3	179.7	177	0	109.2	T227	T227-K229 PolarHBondContact O-N 2.94Å
230	P	93.9	Very high	95.2	Very high	12 Å²	12	71.1 Å²	71.1	8%	0.078	38%	0.379	C	S	.	.			trans	-65.7	144.9	-176.4	29	-37	0	0	0	111.2	T227 I234 R235 F253	T227-P230 WeakPolarHBondContact O-CD 3.43Å; P230-I234 HydrophobicContact CB-CB 3.97Å; P230-I234 HydrophobicContact CB-CG2 3.66Å; P230-R235 HydrophobicContact CB-CG 4.02Å; P230-R235 HydrophobicContact CG-CG 3.71Å; P230-F253 HydrophobicContact CB-CE1 4.4Å; P230-F253 HydrophobicContact CB-CZ 4.48Å; P230-F253 HydrophobicContact CG-CD1 3.6Å; P230-F253 HydrophobicContact CG-CD2 4.03Å; P230-F253 HydrophobicContact CG-CE1 3.57Å; P230-F253 HydrophobicContact CG-CE2 4.03Å; P230-F253 HydrophobicContact CG-CG 3.84Å; P230-F253 HydrophobicContact CG-CZ 3.81Å
231	T	95.6	Very high	95.1	Very high	83 Å²	83	76.5 Å²	76.5	51%	0.509	40%	0.404	S	S	.	.			trans	-66.6	172.8	175.1	62	0	0	0	0	111.2	H233 I234 R235	T231-H233 VanDerWaalsContact C-N 3.34Å; T231-I234 HydrophobicContact CG2-CD1 4.49Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.47Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.4Å; T231-I234 PolarHBondContact OG1-N 2.84Å; T231-R235 WeakPolarHBondContact O-CG 3.32Å; T231-R235 PolarHBondContact O-N 3.36Å; T231-R235 PolarHBondContact O-NE 3.41Å
232	R	93.4	Very high	95.1	Very high	180 Å²	180	72.1 Å²	72.1	68%	0.679	39%	0.386	S	S	*	.	H	α-helix	trans	-56.9	-49.1	174.4	177.3	-179.3	170.2	-177.6	-3.1	111	I234 R235 E236	R232-I234 PolarHBondContact O-N 3.25Å; R232-R235 PolarHBondContact O-N 2.72Å; R232-R235 VanDerWaalsContact O-N 3.13Å; R232-E236 WeakPolarHBondContact CG-OE1 3.35Å; R232-E236 IonicContact CZ-OE1 3.98Å; R232-E236 IonicContact NE-OE1 3.58Å; R232-E236 PolarHBondContact NE-OE1 2.88Å; R232-E236 IonicContact NH2-OE1 2.88Å; R232-E236 PolarHBondContact NH2-OE1 3.22Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.14Å
233	H	95.7	Very high	95	Very high	129 Å²	129	72.4 Å²	72.4	60%	0.597	40%	0.395	S	S	*	.	H	α-helix	trans	-59.2	-46.7	-179.1	-175.1	67.4	0	0	0	112.6	T231 R235 E236 Q237	T231-H233 VanDerWaalsContact C-N 3.34Å; H233-R235 VanDerWaalsContact C-N 3.27Å; H233-R235 PolarHBondContact O-N 3.26Å; H233-E236 WeakPolarHBondContact O-CB 3.35Å; H233-E236 PolarHBondContact O-N 2.71Å; H233-Q237 PolarHBondContact O-N 3.43Å
234	I	95.2	Very high	94.9	Very high	47 Å²	47	72.5 Å²	72.5	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-38.2	177.2	-64.5	168.7	0	0	0	111	P230 T231 R232 E236 L238	P230-I234 HydrophobicContact CB-CB 3.97Å; P230-I234 HydrophobicContact CB-CG2 3.66Å; T231-I234 HydrophobicContact CG2-CD1 4.49Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.47Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.4Å; T231-I234 PolarHBondContact OG1-N 2.84Å; R232-I234 PolarHBondContact O-N 3.25Å; I234-E236 VanDerWaalsContact C-N 3.35Å; I234-L238 HydrophobicContact CG2-CD1 4.09Å; I234-L238 HydrophobicContact CG2-CG 4.47Å; I234-L238 WeakPolarHBondContact O-CB 3.27Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.34Å
235	R	95.8	Very high	94.7	Very high	60 Å²	60	77.1 Å²	77.1	23%	0.226	42%	0.419	C	S	.	.	H	α-helix	trans	-68.9	-33.1	176.3	-70.9	-175.1	-77.1	163.4	-2.8	112.7	P230 T231 R232 H233 A239 M246 I249	P230-R235 HydrophobicContact CB-CG 4.02Å; P230-R235 HydrophobicContact CG-CG 3.71Å; T231-R235 WeakPolarHBondContact O-CG 3.32Å; T231-R235 PolarHBondContact O-N 3.36Å; T231-R235 PolarHBondContact O-NE 3.41Å; R232-R235 PolarHBondContact O-N 2.72Å; R232-R235 VanDerWaalsContact O-N 3.13Å; H233-R235 VanDerWaalsContact C-N 3.27Å; H233-R235 PolarHBondContact O-N 3.26Å; R235-A239 WeakPolarHBondContact O-CB 3.47Å; R235-A239 PolarHBondContact O-N 3.28Å; R235-M246 HydrophobicContact CB-CE 4.33Å; R235-M246 HydrophobicContact CB-SD 3.74Å; R235-M246 WeakPolarHBondContact O-CE 3.46Å; R235-I249 HydrophobicContact CB-CG2 4.21Å; R235-I249 HydrophobicContact CG-CG2 4.06Å
236	E	96	Very high	94.6	Very high	61 Å²	61	75.9 Å²	75.9	29%	0.285	40%	0.399	S	S	.	.	H	α-helix	trans	-67.6	-45.4	175.4	-72.6	169.4	173.8	0	0	110.8	R232 H233 I234 L238 A239 Q240 M246	R232-E236 WeakPolarHBondContact CG-OE1 3.35Å; R232-E236 IonicContact CZ-OE1 3.98Å; R232-E236 IonicContact NE-OE1 3.58Å; R232-E236 PolarHBondContact NE-OE1 2.88Å; R232-E236 IonicContact NH2-OE1 2.88Å; R232-E236 PolarHBondContact NH2-OE1 3.22Å; R232-E236 WeakPolarHBondContact O-CG 3.24Å; R232-E236 PolarHBondContact O-N 3.14Å; H233-E236 WeakPolarHBondContact O-CB 3.35Å; H233-E236 PolarHBondContact O-N 2.71Å; I234-E236 VanDerWaalsContact C-N 3.35Å; E236-L238 PolarHBondContact O-N 3.03Å; E236-A239 WeakPolarHBondContact O-CB 3.42Å; E236-A239 PolarHBondContact O-N 3.44Å; E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 2.92Å; E236-M246 VanDerWaalsContact CA-CE 3.4Å; E236-M246 HydrophobicContact CB-CE 3.95Å; E236-M246 HydrophobicContact CG-CE 3.31Å
237	Q	95.7	Very high	94.5	Very high	88 Å²	88	80.9 Å²	80.9	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-58.7	-48.4	172.7	-176.6	-179.9	-4.7	0	0	111.7	H233 A239 Q240 E241	H233-Q237 PolarHBondContact O-N 3.43Å; Q237-A239 VanDerWaalsContact C-N 3.29Å; Q237-A239 PolarHBondContact O-N 2.82Å; Q237-Q240 PolarHBondContact O-N 3.28Å; Q237-Q240 VanDerWaalsContact O-N 3.14Å; Q237-E241 HydrophobicContact CG-CG 4.36Å; Q237-E241 VanDerWaalsContact CG-OE1 3.32Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.43Å; Q237-E241 WeakPolarHBondContact O-CG 3.29Å; Q237-E241 PolarHBondContact O-N 3.41Å
238	L	96.5	Very high	94.6	Very high	8 Å²	8	79.5 Å²	79.5	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-35.8	177.8	-72.1	171.2	0	0	0	112.8	T219 L220 A223 I234 E236 T242 I249 F253	T219-L238 HydrophobicContact CG2-CD2 3.83Å; L220-L238 HydrophobicContact CD2-CD1 4.49Å; A223-L238 HydrophobicContact CB-CD1 3.78Å; A223-L238 HydrophobicContact CB-CD2 3.84Å; A223-L238 HydrophobicContact CB-CG 4.39Å; I234-L238 HydrophobicContact CG2-CD1 4.09Å; I234-L238 HydrophobicContact CG2-CG 4.47Å; I234-L238 WeakPolarHBondContact O-CB 3.27Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 3.34Å; E236-L238 PolarHBondContact O-N 3.03Å; L238-T242 VanDerWaalsContact O-CB 3.31Å; L238-T242 WeakPolarHBondContact O-CB 3.35Å; L238-T242 WeakPolarHBondContact O-CG2 3.34Å; L238-T242 PolarHBondContact O-N 3.15Å; L238-T242 PolarHBondContact O-OG1 2.88Å; L238-I249 HydrophobicContact CB-CD1 4.28Å; L238-I249 HydrophobicContact CB-CG2 4.28Å; L238-I249 HydrophobicContact CD1-CG2 4.38Å; L238-F253 HydrophobicContact CD1-CE2 3.76Å; L238-F253 HydrophobicContact CD1-CZ 3.94Å
239	A	96.4	Very high	94.7	Very high	16 Å²	16	76.5 Å²	76.5	13%	0.132	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-41.4	175.8	0	0	0	0	0	111.3	R235 E236 Q237 G243 L244 M246 I249	R235-A239 WeakPolarHBondContact O-CB 3.47Å; R235-A239 PolarHBondContact O-N 3.28Å; E236-A239 WeakPolarHBondContact O-CB 3.42Å; E236-A239 PolarHBondContact O-N 3.44Å; Q237-A239 VanDerWaalsContact C-N 3.29Å; Q237-A239 PolarHBondContact O-N 2.82Å; A239-G243 VanDerWaalsContact O-CA 3.31Å; A239-G243 WeakPolarHBondContact O-CA 3.35Å; A239-G243 PolarHBondContact O-N 3.14Å; A239-L244 WeakPolarHBondContact CA-O 3.29Å; A239-L244 WeakPolarHBondContact CB-O 3.25Å; A239-L244 PolarHBondContact O-N 3.31Å; A239-M246 HydrophobicContact CB-CE 4.07Å; A239-I249 HydrophobicContact CB-CG1 4.22Å
240	Q	95.5	Very high	94.7	Very high	162 Å²	162	72.8 Å²	72.8	76%	0.757	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-49.1	175.6	-68.1	172.6	5.1	0	0	111.8	E236 Q237 T242 G243	E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 2.92Å; Q237-Q240 PolarHBondContact O-N 3.28Å; Q237-Q240 VanDerWaalsContact O-N 3.14Å; Q240-T242 PolarHBondContact O-N 2.95Å; Q240-G243 PolarHBondContact O-N 3.35Å
241	E	94	Very high	94.7	Very high	113 Å²	113	74.9 Å²	74.9	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-66.2	-38.9	-178	-72.2	177.3	-172.9	0	0	113.2	Q237	Q237-E241 HydrophobicContact CG-CG 4.36Å; Q237-E241 VanDerWaalsContact CG-OE1 3.32Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.43Å; Q237-E241 WeakPolarHBondContact O-CG 3.29Å; Q237-E241 PolarHBondContact O-N 3.41Å
242	T	94.2	Very high	94.8	Very high	12 Å²	12	72.5 Å²	72.5	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-89.6	-14.7	-178.2	64.3	0	0	0	0	113.2	Q216 T219 L238 Q240 L244	Q216-T242 HydrophobicContact CB-CG2 4.39Å; Q216-T242 PolarHBondContact NE2-O 3.03Å; T219-T242 HydrophobicContact CG2-CG2 4.14Å; L238-T242 VanDerWaalsContact O-CB 3.31Å; L238-T242 WeakPolarHBondContact O-CB 3.35Å; L238-T242 WeakPolarHBondContact O-CG2 3.34Å; L238-T242 PolarHBondContact O-N 3.15Å; L238-T242 PolarHBondContact O-OG1 2.88Å; Q240-T242 PolarHBondContact O-N 2.95Å; T242-L244 PolarHBondContact O-N 3.17Å; T242-L244 WeakPolarHBondContact OG1-CB 3.49Å; T242-L244 WeakPolarHBondContact OG1-CG 3.32Å; T242-L244 PolarHBondContact OG1-N 3.2Å
243	G	94.2	Very high	94.9	Very high	68 Å²	68	64 Å²	64	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	18	-170.4	0	0	0	0	0	113.5	A239 Q240	A239-G243 VanDerWaalsContact O-CA 3.31Å; A239-G243 WeakPolarHBondContact O-CA 3.35Å; A239-G243 PolarHBondContact O-N 3.14Å; Q240-G243 PolarHBondContact O-N 3.35Å
244	L	93.4	Very high	94.8	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	31%	0.314	C	S	.	.			trans	-91.9	142.9	178.2	-63.6	173.5	0	0	0	110.2	I212 Q216 L220 A239 T242 M246 V248 I249	I212-L244 HydrophobicContact CG1-CD1 4.26Å; I212-L244 HydrophobicContact CG2-CD1 4.17Å; Q216-L244 HydrophobicContact CB-CD1 4.23Å; L220-L244 HydrophobicContact CD1-CD1 4.08Å; A239-L244 WeakPolarHBondContact CA-O 3.29Å; A239-L244 WeakPolarHBondContact CB-O 3.25Å; A239-L244 PolarHBondContact O-N 3.31Å; T242-L244 PolarHBondContact O-N 3.17Å; T242-L244 WeakPolarHBondContact OG1-CB 3.49Å; T242-L244 WeakPolarHBondContact OG1-CG 3.32Å; T242-L244 PolarHBondContact OG1-N 3.2Å; L244-M246 PolarHBondContact O-N 2.76Å; L244-V248 HydrophobicContact CB-CB 4.5Å; L244-V248 HydrophobicContact CD1-CG1 4.46Å; L244-I249 HydrophobicContact CB-CD1 3.88Å; L244-I249 HydrophobicContact CB-CG1 4.3Å; L244-I249 HydrophobicContact CD1-CD1 3.96Å
245	N	93.4	Very high	94.8	Very high	112 Å²	112	64.9 Å²	64.9	60%	0.599	33%	0.327	S	S	*	.			trans	-57.8	137.8	174.6	-173.4	-48.7	0	0	0	110.5	R247 V248 I249	N245-R247 PolarHBondContact O-N 3.03Å; N245-R247 PolarHBondContact OD1-N 3.15Å; N245-V248 HydrophobicContact CB-CG2 4.12Å; N245-V248 WeakPolarHBondContact O-CA 3.28Å; N245-V248 VanDerWaalsContact O-CB 3.28Å; N245-V248 WeakPolarHBondContact O-CB 3.24Å; N245-V248 PolarHBondContact O-N 2.94Å; N245-I249 PolarHBondContact O-N 2.74Å
246	M	92.2	Very high	94.7	Very high	59 Å²	59	66.5 Å²	66.5	29%	0.291	33%	0.333	S	S	.	.	H	α-helix	trans	-43.8	-41.1	176.5	178.8	56.1	64.4	0	0	113.4	R235 E236 A239 L244 V248 I249 Q250	R235-M246 HydrophobicContact CB-CE 4.33Å; R235-M246 HydrophobicContact CB-SD 3.74Å; R235-M246 WeakPolarHBondContact O-CE 3.46Å; E236-M246 VanDerWaalsContact CA-CE 3.4Å; E236-M246 HydrophobicContact CB-CE 3.95Å; E236-M246 HydrophobicContact CG-CE 3.31Å; A239-M246 HydrophobicContact CB-CE 4.07Å; L244-M246 PolarHBondContact O-N 2.76Å; M246-V248 VanDerWaalsContact C-N 3.32Å; M246-V248 PolarHBondContact O-N 3.39Å; M246-I249 PolarHBondContact O-N 3.09Å; M246-Q250 PolarHBondContact O-N 3.1Å
247	R	92.9	Very high	94.7	Very high	184 Å²	184	67.2 Å²	67.2	69%	0.694	33%	0.333	S	S	*	.	H	α-helix	trans	-64.1	-36.9	178.4	-166	176.9	-166.6	94.7	-0.6	112.2	N245 Q250 V251	N245-R247 PolarHBondContact O-N 3.03Å; N245-R247 PolarHBondContact OD1-N 3.15Å; R247-Q250 PolarHBondContact O-N 2.95Å; R247-V251 HydrophobicContact CG-CG2 4.41Å; R247-V251 WeakPolarHBondContact O-CB 3.45Å; R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 2.77Å
248	V	94.9	Very high	94.4	Very high	24 Å²	24	65.3 Å²	65.3	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-44.4	177.1	179.2	0	0	0	0	110.2	T210 I212 L244 N245 M246 V251 W252	T210-V248 HydrophobicContact CG2-CG2 3.99Å; I212-V248 HydrophobicContact CD1-CG1 4.13Å; I212-V248 HydrophobicContact CG1-CG1 4.32Å; L244-V248 HydrophobicContact CB-CB 4.5Å; L244-V248 HydrophobicContact CD1-CG1 4.46Å; N245-V248 HydrophobicContact CB-CG2 4.12Å; N245-V248 WeakPolarHBondContact O-CA 3.28Å; N245-V248 VanDerWaalsContact O-CB 3.28Å; N245-V248 WeakPolarHBondContact O-CB 3.24Å; N245-V248 PolarHBondContact O-N 2.94Å; M246-V248 VanDerWaalsContact C-N 3.32Å; M246-V248 PolarHBondContact O-N 3.39Å; V248-V251 PolarHBondContact O-N 3.33Å; V248-W252 VanDerWaalsContact O-CB 3.27Å; V248-W252 WeakPolarHBondContact O-CB 3.43Å; V248-W252 PolarHBondContact O-N 3.27Å
249	I	95.3	Very high	94	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-51	174.9	-56.6	-66.6	0	0	0	110.2	L220 R235 L238 A239 L244 N245 M246 V251 W252 F253	L220-I249 HydrophobicContact CD2-CD1 3.7Å; L220-I249 HydrophobicContact CD2-CG2 4.4Å; R235-I249 HydrophobicContact CB-CG2 4.21Å; R235-I249 HydrophobicContact CG-CG2 4.06Å; L238-I249 HydrophobicContact CB-CD1 4.28Å; L238-I249 HydrophobicContact CB-CG2 4.28Å; L238-I249 HydrophobicContact CD1-CG2 4.38Å; A239-I249 HydrophobicContact CB-CG1 4.22Å; L244-I249 HydrophobicContact CB-CD1 3.88Å; L244-I249 HydrophobicContact CB-CG1 4.3Å; L244-I249 HydrophobicContact CD1-CD1 3.96Å; N245-I249 PolarHBondContact O-N 2.74Å; M246-I249 PolarHBondContact O-N 3.09Å; I249-V251 PolarHBondContact O-N 3.35Å; I249-W252 PolarHBondContact O-N 3.19Å; I249-F253 HydrophobicContact CG2-CD2 4Å; I249-F253 HydrophobicContact CG2-CE2 4.05Å; I249-F253 WeakPolarHBondContact O-CD2 3.44Å; I249-F253 PolarHBondContact O-N 3.49Å
250	Q	94.7	Very high	93.5	Very high	91 Å²	91	73 Å²	73	43%	0.425	36%	0.36	S	S	.	.	H	α-helix	trans	-57.6	-48.6	178.8	178.1	174.7	-7.6	0	0	112.5	M246 R247 W252 F253 Q254	M246-Q250 PolarHBondContact O-N 3.1Å; R247-Q250 PolarHBondContact O-N 2.95Å; Q250-W252 VanDerWaalsContact C-N 3.33Å; Q250-W252 PolarHBondContact O-N 2.89Å; Q250-F253 PolarHBondContact O-N 2.84Å; Q250-Q254 WeakPolarHBondContact O-CB 3.48Å; Q250-Q254 PolarHBondContact O-N 3.11Å
251	V	94.5	Very high	93	Very high	56 Å²	56	72.9 Å²	72.9	34%	0.339	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-37.2	179.1	170.3	0	0	0	0	111	R247 V248 I249 Q254 N255	R247-V251 HydrophobicContact CG-CG2 4.41Å; R247-V251 WeakPolarHBondContact O-CB 3.45Å; R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 2.77Å; V248-V251 PolarHBondContact O-N 3.33Å; I249-V251 PolarHBondContact O-N 3.35Å; V251-Q254 PolarHBondContact O-N 3.12Å; V251-N255 WeakPolarHBondContact CG1-ND2 3.49Å; V251-N255 VanDerWaalsContact O-CB 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.36Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 3.39Å; V251-N255 PolarHBondContact O-ND2 2.79Å
252	W	95.9	Very high	92.3	Very high	32 Å²	32	75.2 Å²	75.2	12%	0.121	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-49.3	176.5	-174.8	95.2	0	0	0	111.4	I212 L217 L220 K221 F224 V248 I249 Q250 Q254 N255 R256	I212-W252 VanDerWaalsContact CD1-CD1 3.42Å; I212-W252 HydrophobicContact CD1-CG 4.26Å; L217-W252 HydrophobicContact CD1-CZ2 3.91Å; L220-W252 VanDerWaalsContact C-CH2 3.49Å; L220-W252 HydrophobicContact CB-CD2 4.1Å; L220-W252 HydrophobicContact CB-CE3 4.06Å; L220-W252 HydrophobicContact CB-CH2 3.69Å; L220-W252 HydrophobicContact CB-CZ2 3.7Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.89Å; L220-W252 HydrophobicContact CD1-CE3 4.44Å; L220-W252 HydrophobicContact CD1-CG 3.93Å; L220-W252 HydrophobicContact CD2-CD2 4.39Å; L220-W252 HydrophobicContact CD2-CE3 4.14Å; L220-W252 HydrophobicContact CG-CD2 4.38Å; L220-W252 HydrophobicContact CG-CE3 4.47Å; L220-W252 VanDerWaalsContact O-CH2 3.27Å; L220-W252 WeakPolarHBondContact O-CH2 3.49Å; L220-W252 WeakPolarHBondContact O-CZ3 3.42Å; K221-W252 HydrophobicContact CG-CH2 4.48Å; K221-W252 HydrophobicContact CG-CZ2 4.33Å; F224-W252 HydrophobicContact CB-CH2 4.03Å; F224-W252 HydrophobicContact CB-CZ3 3.96Å; F224-W252 HydrophobicContact CD2-CZ3 4.23Å; F224-W252 HydrophobicContact CG-CH2 4.5Å; F224-W252 HydrophobicContact CG-CZ3 4.38Å; V248-W252 VanDerWaalsContact O-CB 3.27Å; V248-W252 WeakPolarHBondContact O-CB 3.43Å; V248-W252 PolarHBondContact O-N 3.27Å; I249-W252 PolarHBondContact O-N 3.19Å; Q250-W252 VanDerWaalsContact C-N 3.33Å; Q250-W252 PolarHBondContact O-N 2.89Å; W252-Q254 VanDerWaalsContact C-N 3.34Å; W252-Q254 PolarHBondContact O-N 2.8Å; W252-N255 PolarHBondContact O-N 3.13Å; W252-R256 HydrophobicContact CE3-CB 4.28Å; W252-R256 HydrophobicContact CH2-CB 4.38Å; W252-R256 HydrophobicContact CH2-CG 4.03Å; W252-R256 HydrophobicContact CZ3-CB 4.16Å; W252-R256 HydrophobicContact CZ3-CG 4.15Å; W252-R256 VanDerWaalsContact O-CB 3.23Å; W252-R256 WeakPolarHBondContact O-CB 3.49Å; W252-R256 PolarHBondContact O-N 2.94Å
253	F	97	Very high	91.3	Very high	2 Å²	2	78 Å²	78	1%	0.009	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-38.4	177.3	-87.6	-91.4	0	0	0	112.1	L220 A223 F224 P230 L238 I249 Q250 R256 R257	L220-F253 HydrophobicContact CD2-CE2 3.85Å; A223-F253 HydrophobicContact CB-CZ 4.12Å; F224-F253 HydrophobicContact CB-CE1 3.94Å; F224-F253 HydrophobicContact CB-CZ 4.45Å; F224-F253 AromaticContact CD2-CD1 3.68Å; F224-F253 HydrophobicContact CD2-CD1 3.68Å; F224-F253 AromaticContact CD2-CE1 3.78Å; F224-F253 HydrophobicContact CD2-CE1 3.78Å; F224-F253 HydrophobicContact CE2-CD1 4.42Å; F224-F253 HydrophobicContact CG-CE1 4.36Å; P230-F253 HydrophobicContact CB-CE1 4.4Å; P230-F253 HydrophobicContact CB-CZ 4.48Å; P230-F253 HydrophobicContact CG-CD1 3.6Å; P230-F253 HydrophobicContact CG-CD2 4.03Å; P230-F253 HydrophobicContact CG-CE1 3.57Å; P230-F253 HydrophobicContact CG-CE2 4.03Å; P230-F253 HydrophobicContact CG-CG 3.84Å; P230-F253 HydrophobicContact CG-CZ 3.81Å; L238-F253 HydrophobicContact CD1-CE2 3.76Å; L238-F253 HydrophobicContact CD1-CZ 3.94Å; I249-F253 HydrophobicContact CG2-CD2 4Å; I249-F253 HydrophobicContact CG2-CE2 4.05Å; I249-F253 WeakPolarHBondContact O-CD2 3.44Å; I249-F253 PolarHBondContact O-N 3.49Å; Q250-F253 PolarHBondContact O-N 2.84Å; F253-R256 PolarHBondContact O-N 2.89Å; F253-R257 WeakPolarHBondContact O-CG 3.4Å; F253-R257 PolarHBondContact O-N 2.84Å
254	Q	93.7	Very high	90.3	Very high	101 Å²	101	80 Å²	80	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-47.2	174.7	-174.5	177.7	13.7	0	0	111.8	Q250 V251 W252 S258	Q250-Q254 WeakPolarHBondContact O-CB 3.48Å; Q250-Q254 PolarHBondContact O-N 3.11Å; V251-Q254 PolarHBondContact O-N 3.12Å; W252-Q254 VanDerWaalsContact C-N 3.34Å; W252-Q254 PolarHBondContact O-N 2.8Å; Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3Å; Q254-S258 PolarHBondContact O-OG 3.27Å
255	N	95	Very high	89	Confident	94 Å²	94	84.4 Å²	84.4	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-38.4	178	-73.4	-18.8	0	0	0	111.6	V251 W252 S258 K259	V251-N255 WeakPolarHBondContact CG1-ND2 3.49Å; V251-N255 VanDerWaalsContact O-CB 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.36Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 3.39Å; V251-N255 PolarHBondContact O-ND2 2.79Å; W252-N255 PolarHBondContact O-N 3.13Å; N255-S258 PolarHBondContact O-N 3.11Å; N255-K259 WeakPolarHBondContact O-CB 3.27Å; N255-K259 PolarHBondContact O-N 3.39Å
256	R	93.9	Very high	87.7	Confident	93 Å²	93	85.2 Å²	85.2	35%	0.351	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-50.3	177.1	-175.7	65.9	-176.1	179.1	2.4	111.3	F224 W252 F253 S258 K259 E260	F224-R256 HydrophobicContact CD1-CG 4.05Å; F224-R256 HydrophobicContact CD2-CB 4.19Å; F224-R256 HydrophobicContact CD2-CG 3.53Å; F224-R256 HydrophobicContact CE1-CG 3.93Å; F224-R256 HydrophobicContact CE2-CB 3.97Å; F224-R256 HydrophobicContact CE2-CG 3.4Å; F224-R256 HydrophobicContact CG-CG 3.87Å; F224-R256 HydrophobicContact CZ-CG 3.61Å; W252-R256 HydrophobicContact CE3-CB 4.28Å; W252-R256 HydrophobicContact CH2-CB 4.38Å; W252-R256 HydrophobicContact CH2-CG 4.03Å; W252-R256 HydrophobicContact CZ3-CB 4.16Å; W252-R256 HydrophobicContact CZ3-CG 4.15Å; W252-R256 VanDerWaalsContact O-CB 3.23Å; W252-R256 WeakPolarHBondContact O-CB 3.49Å; W252-R256 PolarHBondContact O-N 2.94Å; F253-R256 PolarHBondContact O-N 2.89Å; R256-S258 VanDerWaalsContact C-N 3.32Å; R256-S258 PolarHBondContact O-N 3.02Å; R256-K259 PolarHBondContact O-N 3.43Å; R256-E260 PolarHBondContact O-N 3.5Å
257	R	94.6	Very high	86.2	Confident	77 Å²	77	92 Å²	92	29%	0.291	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-39.8	174.2	-71.2	-167.6	-62.5	-88.1	-1.1	112.3	F224 P228 F253 E260 R261	F224-R257 HydrophobicContact CE2-CG 3.78Å; F224-R257 HydrophobicContact CZ-CG 4.26Å; P228-R257 WeakPolarHBondContact O-CD 3.45Å; P228-R257 PolarHBondContact O-NH1 3.09Å; F253-R257 WeakPolarHBondContact O-CG 3.4Å; F253-R257 PolarHBondContact O-N 2.84Å; R257-E260 PolarHBondContact O-N 3.04Å; R257-R261 WeakPolarHBondContact O-CB 3.5Å; R257-R261 PolarHBondContact O-N 2.91Å
258	S	89.6	Confident	84.5	Confident	47 Å²	47	91.3 Å²	91.3	33%	0.329	41%	0.408	S	S	.	.	H	α-helix	trans	-64.3	-41.7	177.9	-60.6	0	0	0	0	111.7	Q254 N255 R256 R261 R262	Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3Å; Q254-S258 PolarHBondContact O-OG 3.27Å; N255-S258 PolarHBondContact O-N 3.11Å; R256-S258 VanDerWaalsContact C-N 3.32Å; R256-S258 PolarHBondContact O-N 3.02Å; S258-R261 PolarHBondContact O-N 3.36Å; S258-R262 WeakPolarHBondContact O-CB 3.08Å; S258-R262 PolarHBondContact O-N 2.85Å
259	K	88	Confident	82	Confident	121 Å²	121	93.1 Å²	93.1	53%	0.526	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-44.5	175.5	-172.6	173.5	-177.6	175	0	111.2	N255 R256 R262 I263	N255-K259 WeakPolarHBondContact O-CB 3.27Å; N255-K259 PolarHBondContact O-N 3.39Å; R256-K259 PolarHBondContact O-N 3.43Å; K259-R262 PolarHBondContact O-N 2.8Å; K259-I263 HydrophobicContact CG-CD1 3.93Å; K259-I263 VanDerWaalsContact O-CG1 3.31Å; K259-I263 WeakPolarHBondContact O-CG1 3.44Å; K259-I263 PolarHBondContact O-N 3.22Å
260	E	87.3	Confident	79.6	Confident	65 Å²	65	96.3 Å²	96.3	30%	0.304	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-39.8	178.8	-171.2	169	167.1	0	0	112.7	F224 R256 R257 R262 I263 K264	F224-E260 VanDerWaalsContact CE1-OE2 3.24Å; F224-E260 WeakPolarHBondContact CE1-OE2 3.46Å; F224-E260 WeakPolarHBondContact CZ-OE2 3.32Å; R256-E260 PolarHBondContact O-N 3.5Å; R257-E260 PolarHBondContact O-N 3.04Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 2.85Å; E260-I263 PolarHBondContact O-N 3.02Å; E260-K264 HydrophobicContact CG-CD 4.21Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.3Å; E260-K264 WeakPolarHBondContact OE1-CE 3.3Å; E260-K264 IonicContact OE1-NZ 3.81Å; E260-K264 PolarHBondContact OE1-NZ 2.98Å
261	R	84.7	Confident	77.1	Confident	160 Å²	160	100 Å²	100	60%	0.604	47%	0.473	S	S	*	.	H	α-helix	trans	-61.4	-43.2	173	-169.4	-172	-60	163	-0.9	111.5	R257 S258 K264 Q265	R257-R261 WeakPolarHBondContact O-CB 3.5Å; R257-R261 PolarHBondContact O-N 2.91Å; S258-R261 PolarHBondContact O-N 3.36Å; R261-K264 PolarHBondContact O-N 3.4Å; R261-Q265 WeakPolarHBondContact O-CB 3.32Å; R261-Q265 VanDerWaalsContact O-CG 3.29Å; R261-Q265 WeakPolarHBondContact O-CG 3.22Å; R261-Q265 PolarHBondContact O-N 2.93Å
262	R	79.1	Confident	75	Confident	162 Å²	162	108.2 Å²	108.2	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-43.4	177.4	-167.4	177.6	-65.4	135.5	0.7	111.5	S258 K259 E260 Q265 L266	S258-R262 WeakPolarHBondContact O-CB 3.08Å; S258-R262 PolarHBondContact O-N 2.85Å; K259-R262 PolarHBondContact O-N 2.8Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 2.85Å; R262-Q265 PolarHBondContact O-N 2.98Å; R262-L266 HydrophobicContact CG-CD1 4.24Å; R262-L266 WeakPolarHBondContact O-CB 3.46Å; R262-L266 VanDerWaalsContact O-CG 3.26Å; R262-L266 WeakPolarHBondContact O-CG 3.45Å; R262-L266 PolarHBondContact O-N 3.41Å
263	I	74	Confident	72.3	Confident	71 Å²	71	112.4 Å²	112.4	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.6	-68.1	166.6	0	0	0	110.9	K259 E260 L266 R267	K259-I263 HydrophobicContact CG-CD1 3.93Å; K259-I263 VanDerWaalsContact O-CG1 3.31Å; K259-I263 WeakPolarHBondContact O-CG1 3.44Å; K259-I263 PolarHBondContact O-N 3.22Å; E260-I263 PolarHBondContact O-N 3.02Å; I263-L266 PolarHBondContact O-N 3Å; I263-R267 HydrophobicContact CG2-CG 4.41Å; I263-R267 WeakPolarHBondContact O-CB 3.42Å; I263-R267 WeakPolarHBondContact O-CG 3.39Å; I263-R267 PolarHBondContact O-N 3.28Å
264	K	71.7	Confident	69.3	Low	109 Å²	109	115.9 Å²	115.9	47%	0.474	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-40.2	175.6	-78.7	172.5	170.1	161	0	111.9	E260 R261 R267 F268	E260-K264 HydrophobicContact CG-CD 4.21Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 3.3Å; E260-K264 WeakPolarHBondContact OE1-CE 3.3Å; E260-K264 IonicContact OE1-NZ 3.81Å; E260-K264 PolarHBondContact OE1-NZ 2.98Å; R261-K264 PolarHBondContact O-N 3.4Å; K264-R267 PolarHBondContact O-N 3.47Å; K264-F268 WeakPolarHBondContact O-CB 3.35Å; K264-F268 WeakPolarHBondContact O-CD2 3.35Å; K264-F268 PolarHBondContact O-N 3.33Å
265	Q	66.5	Low	66.8	Low	112 Å²	112	116.5 Å²	116.5	52%	0.523	58%	0.581	S	S	.	*	H	α-helix	trans	-64.2	-39.1	174.8	-75.5	173.2	-7.2	0	0	112.5	R261 R262 G269	R261-Q265 WeakPolarHBondContact O-CB 3.32Å; R261-Q265 VanDerWaalsContact O-CG 3.29Å; R261-Q265 WeakPolarHBondContact O-CG 3.22Å; R261-Q265 PolarHBondContact O-N 2.93Å; R262-Q265 PolarHBondContact O-N 2.98Å; Q265-G269 PolarHBondContact O-N 2.74Å
266	L	65.9	Low	64.4	Low	129 Å²	129	123.7 Å²	123.7	68%	0.675	60%	0.601	S	S	*	*	H	α-helix	trans	-69.1	-34.7	174.1	-69.3	166.1	0	0	0	112.2	R262 I263	R262-L266 HydrophobicContact CG-CD1 4.24Å; R262-L266 WeakPolarHBondContact O-CB 3.46Å; R262-L266 VanDerWaalsContact O-CG 3.26Å; R262-L266 WeakPolarHBondContact O-CG 3.45Å; R262-L266 PolarHBondContact O-N 3.41Å; I263-L266 PolarHBondContact O-N 3Å
267	R	61.7	Low	61.9	Low	202 Å²	202	131 Å²	131	76%	0.762	63%	0.629	S	S	*	*	H	α-helix	trans	-77.9	-32.8	178.3	-79.4	-177.8	149.8	176.5	-8.5	114.3	I263 K264	I263-R267 HydrophobicContact CG2-CG 4.41Å; I263-R267 WeakPolarHBondContact O-CB 3.42Å; I263-R267 WeakPolarHBondContact O-CG 3.39Å; I263-R267 PolarHBondContact O-N 3.28Å; K264-R267 PolarHBondContact O-N 3.47Å
268	F	56	Low	59.3	Low	170 Å²	170	132.2 Å²	132.2	75%	0.746	66%	0.655	S	S	*	*	H	α-helix	trans	-109.3	3.1	-170.7	-76.7	-82.3	0	0	0	115.3	K264	K264-F268 WeakPolarHBondContact O-CB 3.35Å; K264-F268 WeakPolarHBondContact O-CD2 3.35Å; K264-F268 PolarHBondContact O-N 3.33Å
269	G	42.4	Very low	57	Low	62 Å²	62	141.1 Å²	141.1	64%	0.639	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.5	91.6	170.5	0	0	0	0	0	112.5	Q265	Q265-G269 PolarHBondContact O-N 2.74Å
270	A	46	Very low	54.6	Low	67 Å²	67	140.4 Å²	140.4	55%	0.554	69%	0.692	S	S	*	*			trans	-139.4	78.1	153.4	0	0	0	0	0	107.6	R272	A270-R272 PolarHBondContact O-N 3.17Å
271	F	41	Very low	52.4	Low	169 Å²	169	142.5 Å²	142.5	74%	0.741	71%	0.714	S	S	*	*			trans	-55.4	96.8	152.8	-115	-101.8	0	0	0	106.2	P273	F271-P273 WeakPolarHBondContact O-CD 3.33Å
272	R	51.2	Low	50.2	Low	228 Å²	228	142.9 Å²	142.9	86%	0.86	73%	0.727	S	S	*	*			trans	-96.2	105.9	162.5	-80.4	-164.2	164.8	-123.5	-1.8	107	A270	A270-R272 PolarHBondContact O-N 3.17Å
273	P	38.3	Very low	48.4	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	74%	0.743	S	S	*	*			trans	-71.8	137	166.3	30.6	-28.7	0	0	0	107.6	F271	F271-P273 WeakPolarHBondContact O-CD 3.33Å
274	G	35.3	Very low	46.6	Very low	75 Å²	75	150.1 Å²	150.1	77%	0.773	76%	0.762	S	S	*	*			trans	96.9	92.6	169.8	0	0	0	0	0	114.3
275	S	41.8	Very low	45	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	78%	0.78	S	S	*	*				170.2	76.2	126.8	-173.7	0	0	0	0	108.6
276	R	44.4	Very low	43.6	Very low	246 Å²	246	153.8 Å²	153.8	93%	0.928	79%	0.786	S	S	*	*			trans	-144.4	96.7	147.8	-95	-167.3	-92.9	-161.1	1.7	108.3	A278	R276-A278 PolarHBondContact O-N 3.35Å; R276-A278 VanDerWaalsContact O-N 3.11Å
277	R	41.1	Very low	42.5	Very low	245 Å²	245	153.2 Å²	153.2	93%	0.925	79%	0.793	S	S	*	*			trans	-34.2	110.1	163	-67.3	172.5	176.5	-176.2	-3.6	109.8	R279	R277-R279 PolarHBondContact O-N 2.96Å
278	A	39.9	Very low	41.3	Very low	103 Å²	103	146.9 Å²	146.9	85%	0.851	79%	0.791	S	S	*	*			trans	-69.9	118	163.3	0	0	0	0	0	107.3	R276	R276-A278 PolarHBondContact O-N 3.35Å; R276-A278 VanDerWaalsContact O-N 3.11Å
279	R	41.8	Very low	40.7	Very low	235 Å²	235	147.3 Å²	147.3	89%	0.887	80%	0.8	S	S	*	*			trans	-81	124.8	169.9	-126.9	178.7	165.6	175.6	-5.7	106.6	R277	R277-R279 PolarHBondContact O-N 2.96Å
280	S	36.9	Very low	40.7	Very low	106 Å²	106	152.8 Å²	152.8	74%	0.741	82%	0.815	S	S	*	*			trans	60.3	131.9	150.8	-44.1	0	0	0	0	116
281	S	41.3	Very low	40.3	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	83%	0.829	S	S	*	*			cis	-175.9	133.8	35.8	26.7	0	0	0	0	108
282	L	38.8	Very low	40.6	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	84%	0.837	S	S	*	*			trans	13.4	122.9	146.8	-56.5	172.4	0	0	0	118.1
283	L	40.3	Very low	40	Very low	183 Å²	183	144.2 Å²	144.2	96%	0.958	83%	0.83	S	S	*	*				-161.7	120.5	128.5	-96.8	149	0	0	0	108.8
284	R	35.9	Very low	40.1	Very low	202 Å²	202	147.5 Å²	147.5	76%	0.762	83%	0.833	S	S	*	*			trans	-88.8	138.5	179.2	-179.6	179.2	179.8	-161.8	0.4	107.7	E286	R284-E286 IonicContact CZ-OE2 3.45Å; R284-E286 IonicContact NE-OE2 3.87Å; R284-E286 IonicContact NH2-OE2 3.62Å; R284-E286 PolarHBondContact NH2-OE2 2.9Å
285	N	38	Very low	40.4	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	83%	0.829	S	S	*	*			trans	-142.3	123.3	152.8	-152.5	22.3	0	0	0	109.6
286	E	37.9	Very low	40.3	Very low	139 Å²	139	152 Å²	152	65%	0.65	83%	0.83	S	S	*	*			trans	-95.3	132.5	176.5	-69.4	-159.1	89.6	0	0	110	R284	R284-E286 IonicContact CZ-OE2 3.45Å; R284-E286 IonicContact NE-OE2 3.87Å; R284-E286 IonicContact NH2-OE2 3.62Å; R284-E286 PolarHBondContact NH2-OE2 2.9Å
287	S	43.1	Very low	40.6	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	83%	0.825	S	S	*	*			trans	-179.2	115.4	153	4.4	0	0	0	0	104.4
288	G	36.3	Very low	40.9	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	84%	0.842	S	S	*	*			cis	111.6	81.5	34.5	0	0	0	0	0	107.5
289	L	43.1	Very low	41	Very low	178 Å²	178	146 Å²	146	93%	0.932	84%	0.842	S	S	*	*			trans	-149.6	106.3	161.8	-79.2	-178.8	0	0	0	109.5
290	N	42.7	Very low	40.9	Very low	178 Å²	178	141.3 Å²	141.3	95%	0.952	84%	0.839	S	S	*	*			trans	-71.6	138.8	166.3	-74.4	-29.3	0	0	0	109.8
291	G	38.3	Very low	41.1	Very low	83 Å²	83	143.2 Å²	143.2	86%	0.856	85%	0.845	S	S	*	*			trans	-155.6	98.5	170	0	0	0	0	0	109.5
292	S	45.6	Very low	41.1	Very low	129 Å²	129	145.2 Å²	145.2	90%	0.902	85%	0.85	S	S	*	*			trans	-81.4	152.5	-175.7	47.3	0	0	0	0	114.3
293	G	39.8	Very low	41.3	Very low	71 Å²	71	143.9 Å²	143.9	73%	0.732	85%	0.848	S	S	*	*			trans	160.9	90.5	162.9	0	0	0	0	0	109.3
294	F	39.5	Very low	41.3	Very low	189 Å²	189	141.3 Å²	141.3	83%	0.829	84%	0.841	S	S	*	*				61.7	123.8	66.4	-143	-77.8	0	0	0	112.1
295	F	41.5	Very low	41.7	Very low	160 Å²	160	136.9 Å²	136.9	70%	0.702	85%	0.847	S	S	*	*			cis	-157.8	159.7	-14.4	-117.4	-111.8	0	0	0	105
296	P	40.3	Very low	42	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	85%	0.846	S	S	*	*			trans	-90.1	157.5	173.9	36.1	-30.6	0	0	0	112.4
297	G	51	Low	42.4	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	86%	0.862	S	S	*	*			trans	-172.7	90.7	171.5	0	0	0	0	0	113.6
298	N	47.2	Very low	42.3	Very low	241 Å²	241	136.5 Å²	136.5	100%	1.289	87%	0.866	S	S	*	*				171.8	0	110.8	-154.2	32.5	0	0	0	108.8

Retrieved 298 of 298 residues in 388.3 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).