A0A3Q0KBI8_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB (A3RK85), UniProt , Accession A0A3Q0KBI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 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	48.2	Very low	53.8	Low	232 Å²	232	150.8 Å²	150.8	100%	1.143	76%	0.761	S	S	*	*				0	97.3	0	-168.7	165.7	74.4	0	0	107.9
2	M	46.9	Very low	54.4	Low	187 Å²	187	145.1 Å²	145.1	92%	0.921	73%	0.734	S	S	*	*			trans	-81.5	119.2	-177.7	-85	179.8	-80.7	0	0	110.1	K4	M2-K4 PolarHBondContact O-N 3.47Å
3	I	45.8	Very low	55.1	Low	141 Å²	141	139.2 Å²	139.2	72%	0.723	71%	0.705	S	S	*	*			trans	-75.9	102.4	177.9	-61.5	167.9	0	0	0	108.1	L5	I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.85Å; I3-L5 HydrophobicContact CG2-CG 4.42Å; I3-L5 PolarHBondContact O-N 2.68Å
4	K	48.4	Very low	55.5	Low	207 Å²	207	137.4 Å²	137.4	90%	0.9	70%	0.697	S	S	*	*			trans	-85.2	80.3	162.3	-78.6	-173.3	176	-178.8	0	108.7	M2	M2-K4 PolarHBondContact O-N 3.47Å
5	L	46.3	Very low	56.1	Low	149 Å²	149	134.9 Å²	134.9	78%	0.78	69%	0.685	S	S	*	*			trans	-122.1	145.6	164.6	-97.5	80.4	0	0	0	107.9	I3	I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.85Å; I3-L5 HydrophobicContact CG2-CG 4.42Å; I3-L5 PolarHBondContact O-N 2.68Å
6	S	54.6	Low	56.5	Low	89 Å²	89	132 Å²	132	62%	0.622	67%	0.67	S	S	*	*			trans	104.9	39.4	158	-128.8	0	0	0	0	121.3
7	L	59.2	Low	56.8	Low	155 Å²	155	129.9 Å²	129.9	81%	0.812	66%	0.661	S	S	*	*	S	Bend	trans	-107.3	-28	156.7	-94.9	99.9	0	0	0	114.6	F9 L11	L7-F9 PolarHBondContact O-N 2.79Å; L7-L11 PolarHBondContact O-N 3.26Å
8	I	60.1	Low	56.8	Low	136 Å²	136	126.1 Å²	126.1	70%	0.697	65%	0.652	S	S	*	*	H	α-helix	trans	-70.1	-34.5	-172.2	-60.5	171.2	0	0	0	112.1	N12	I8-N12 PolarHBondContact O-N 3.08Å; I8-N12 PolarHBondContact O-ND2 3.46Å
9	F	58.5	Low	57.3	Low	149 Å²	149	124.5 Å²	124.5	65%	0.654	65%	0.645	S	S	*	*	H	α-helix	trans	-71.6	-38.8	-177.7	-159.5	-106	0	0	0	112.7	L7 I13	L7-F9 PolarHBondContact O-N 2.79Å; F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.42Å; F9-I13 HydrophobicContact CE1-CD1 3.41Å; F9-I13 VanDerWaalsContact CE1-CD1 3.41Å; F9-I13 HydrophobicContact CE1-CG1 4.35Å; F9-I13 HydrophobicContact CG-CD1 4.46Å; F9-I13 HydrophobicContact CZ-CD1 4.25Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 2.99Å; F9-I13 VanDerWaalsContact O-N 3.14Å
10	L	62.1	Low	57.6	Low	106 Å²	106	124.5 Å²	124.5	56%	0.555	64%	0.64	S	S	*	*	H	α-helix	trans	-66.3	-41.4	177.6	-70.5	170.3	0	0	0	111.6	I13 L14	L10-I13 PolarHBondContact O-N 3.4Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.01Å; L10-L14 PolarHBondContact O-N 2.94Å
11	L	61.9	Low	58.4	Low	108 Å²	108	121.1 Å²	121.1	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-64.2	-43.1	179.3	-157.7	75.6	0	0	0	111.6	L7 I13 L14 I15	L7-L11 PolarHBondContact O-N 3.26Å; L11-I13 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 2.74Å; L11-I15 HydrophobicContact CG-CD1 4.2Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.29Å
12	N	60.6	Low	60	Low	82 Å²	82	113 Å²	113	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-62.7	-42.4	176.3	-74.4	-24.2	0	0	0	112.2	I8 I15 I16	I8-N12 PolarHBondContact O-N 3.08Å; I8-N12 PolarHBondContact O-ND2 3.46Å; N12-I15 PolarHBondContact O-N 3.32Å; N12-I16 WeakPolarHBondContact O-CB 3.33Å; N12-I16 WeakPolarHBondContact O-CD1 3.33Å; N12-I16 WeakPolarHBondContact O-CG1 3.26Å; N12-I16 PolarHBondContact O-N 2.04Å
13	I	64	Low	62	Low	69 Å²	69	104.8 Å²	104.8	35%	0.354	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-43	176.5	-70.4	170	0	0	0	111.1	F9 L10 L11 I16 N17	F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.42Å; F9-I13 HydrophobicContact CE1-CD1 3.41Å; F9-I13 VanDerWaalsContact CE1-CD1 3.41Å; F9-I13 HydrophobicContact CE1-CG1 4.35Å; F9-I13 HydrophobicContact CG-CD1 4.46Å; F9-I13 HydrophobicContact CZ-CD1 4.25Å; F9-I13 WeakPolarHBondContact O-CG1 3.34Å; F9-I13 PolarHBondContact O-N 2.99Å; F9-I13 VanDerWaalsContact O-N 3.14Å; L10-I13 PolarHBondContact O-N 3.4Å; L11-I13 PolarHBondContact O-N 3.42Å; I13-I16 PolarHBondContact O-N 3.08Å; I13-N17 WeakPolarHBondContact CG2-ND2 3.47Å; I13-N17 WeakPolarHBondContact O-CB 3.5Å; I13-N17 PolarHBondContact O-N 3.3Å; I13-N17 PolarHBondContact O-ND2 2.89Å
14	L	60.9	Low	64.3	Low	114 Å²	114	102.4 Å²	102.4	60%	0.597	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-44.6	178.4	-73.6	166.6	0	0	0	111.5	L10 L11 N17 A18	L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.01Å; L10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.74Å; L14-N17 PolarHBondContact O-N 3.34Å; L14-A18 WeakPolarHBondContact O-CB 2.98Å; L14-A18 PolarHBondContact O-N 3.01Å
15	I	64.7	Low	66.5	Low	100 Å²	100	97.3 Å²	97.3	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-46.2	178.2	-66	164.6	0	0	0	111	L11 N12 N17 A18 D19	L11-I15 HydrophobicContact CG-CD1 4.2Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 3.29Å; N12-I15 PolarHBondContact O-N 3.32Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.22Å; I15-A18 PolarHBondContact O-N 2.9Å; I15-D19 PolarHBondContact O-N 2.98Å
16	I	61.8	Low	68.8	Low	88 Å²	88	93.5 Å²	93.5	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-38.5	179.5	-67.2	163.3	0	0	0	111.3	N12 I13 K20	N12-I16 WeakPolarHBondContact O-CB 3.33Å; N12-I16 WeakPolarHBondContact O-CD1 3.33Å; N12-I16 WeakPolarHBondContact O-CG1 3.26Å; N12-I16 PolarHBondContact O-N 2.04Å; I13-I16 PolarHBondContact O-N 3.08Å; I16-K20 HydrophobicContact CG2-CD 4.23Å; I16-K20 WeakPolarHBondContact O-CG 3.49Å; I16-K20 PolarHBondContact O-N 3.29Å
17	N	61.2	Low	70.9	Confident	96 Å²	96	89.4 Å²	89.4	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-71.8	-37.6	177.6	-75	-39	0	0	0	112.1	I13 L14 I15 K20 S21	I13-N17 WeakPolarHBondContact CG2-ND2 3.47Å; I13-N17 WeakPolarHBondContact O-CB 3.5Å; I13-N17 PolarHBondContact O-N 3.3Å; I13-N17 PolarHBondContact O-ND2 2.89Å; L14-N17 PolarHBondContact O-N 3.34Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.22Å; N17-K20 PolarHBondContact O-N 3.09Å; N17-S21 WeakPolarHBondContact O-CB 3.22Å; N17-S21 PolarHBondContact O-N 2.98Å
18	A	56.7	Low	72.8	Confident	61 Å²	61	84.2 Å²	84.2	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-46.4	176.7	0	0	0	0	0	111.9	L14 I15 K20 S21 S22	L14-A18 WeakPolarHBondContact O-CB 2.98Å; L14-A18 PolarHBondContact O-N 3.01Å; I15-A18 PolarHBondContact O-N 2.9Å; A18-K20 VanDerWaalsContact C-N 3.35Å; A18-K20 PolarHBondContact O-N 3.35Å; A18-S21 PolarHBondContact O-N 3.42Å; A18-S22 PolarHBondContact O-N 3.07Å; A18-S22 PolarHBondContact O-OG 3.12Å
19	D	66.2	Low	74.6	Confident	96 Å²	96	82.3 Å²	82.3	51%	0.513	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-37.6	178.5	-175.7	47	0	0	0	112.8	I15 S22 T23	I15-D19 PolarHBondContact O-N 2.98Å; D19-S22 WeakPolarHBondContact CA-OG 3.19Å; D19-S22 PolarHBondContact O-OG 3.08Å; D19-T23 WeakPolarHBondContact O-CB 3.25Å; D19-T23 PolarHBondContact O-N 3.12Å; D19-T23 PolarHBondContact O-OG1 3.23Å
20	K	64.6	Low	76.5	Confident	125 Å²	125	76.4 Å²	76.4	54%	0.543	41%	0.405	S	S	.	.	H	α-helix	trans	-70.3	-36.9	174.4	-73.9	175.2	-178.9	169.3	0	112.4	I16 N17 A18 K24	I16-K20 HydrophobicContact CG2-CD 4.23Å; I16-K20 WeakPolarHBondContact O-CG 3.49Å; I16-K20 PolarHBondContact O-N 3.29Å; N17-K20 PolarHBondContact O-N 3.09Å; A18-K20 VanDerWaalsContact C-N 3.35Å; A18-K20 PolarHBondContact O-N 3.35Å; K20-K24 WeakPolarHBondContact O-CB 3.06Å; K20-K24 PolarHBondContact O-N 2.91Å
21	S	73.4	Confident	78.2	Confident	53 Å²	53	71.4 Å²	71.4	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-45.8	176.4	-159.7	0	0	0	0	111	N17 A18 T23 K24 E25	N17-S21 WeakPolarHBondContact O-CB 3.22Å; N17-S21 PolarHBondContact O-N 2.98Å; A18-S21 PolarHBondContact O-N 3.42Å; S21-T23 VanDerWaalsContact C-N 3.33Å; S21-T23 PolarHBondContact O-N 2.86Å; S21-K24 PolarHBondContact O-N 2.78Å; S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.94Å; S21-E25 PolarHBondContact OG-OE1 3.11Å
22	S	81.8	Confident	80	Confident	61 Å²	61	67 Å²	67	43%	0.427	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-41.3	178.2	63	0	0	0	0	111.5	A18 D19 E25 L26	A18-S22 PolarHBondContact O-N 3.07Å; A18-S22 PolarHBondContact O-OG 3.12Å; D19-S22 WeakPolarHBondContact CA-OG 3.19Å; D19-S22 PolarHBondContact O-OG 3.08Å; S22-E25 PolarHBondContact O-N 2.82Å; S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 PolarHBondContact O-N 2.89Å
23	T	89.3	Confident	81.8	Confident	16 Å²	16	68 Å²	68	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-44.1	177.9	-64.4	0	0	0	0	112.6	D19 S21 E25 L26 I27 I100 S143	D19-T23 WeakPolarHBondContact O-CB 3.25Å; D19-T23 PolarHBondContact O-N 3.12Å; D19-T23 PolarHBondContact O-OG1 3.23Å; S21-T23 VanDerWaalsContact C-N 3.33Å; S21-T23 PolarHBondContact O-N 2.86Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.38Å; T23-L26 PolarHBondContact O-N 2.82Å; T23-I27 HydrophobicContact CG2-CD1 3.94Å; T23-I27 WeakPolarHBondContact O-CG1 3.49Å; T23-I27 PolarHBondContact O-N 3.47Å; T23-I27 VanDerWaalsContact O-N 3.13Å; T23-I100 HydrophobicContact CG2-CD1 3.23Å; T23-S143 WeakPolarHBondContact CG2-OG 3.39Å
24	K	93.8	Very high	83.4	Confident	90 Å²	90	65.2 Å²	65.2	39%	0.391	34%	0.342	S	S	.	.	H	α-helix	trans	-58.4	-48.1	175.3	176	-163.9	164.3	-160.7	0	110.8	K20 S21 F28 W57	K20-K24 WeakPolarHBondContact O-CB 3.06Å; K20-K24 PolarHBondContact O-N 2.91Å; S21-K24 PolarHBondContact O-N 2.78Å; K24-F28 VanDerWaalsContact O-CB 3.29Å; K24-F28 WeakPolarHBondContact O-CB 3.46Å; K24-F28 PolarHBondContact O-N 2.9Å; K24-W57 HydrophobicContact CD-CH2 4.3Å; K24-W57 HydrophobicContact CD-CZ2 3.97Å; K24-W57 VanDerWaalsContact CE-CE2 3.4Å; K24-W57 HydrophobicContact CG-CH2 3.59Å; K24-W57 HydrophobicContact CG-CZ2 3.78Å; K24-W57 HydrophobicContact CG-CZ3 4.03Å
25	E	94.1	Very high	85.2	Confident	100 Å²	100	59.9 Å²	59.9	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-41.6	-179.3	-74.2	169.8	-159.5	0	0	111.6	S21 S22 T23 F28 N29	S21-E25 WeakPolarHBondContact O-CG 3.44Å; S21-E25 PolarHBondContact O-N 2.94Å; S21-E25 PolarHBondContact OG-OE1 3.11Å; S22-E25 PolarHBondContact O-N 2.82Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.38Å; E25-F28 PolarHBondContact O-N 3.49Å; E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 3.42Å; E25-N29 PolarHBondContact O-ND2 3.08Å
26	L	96.3	Very high	86.9	Confident	69 Å²	69	58 Å²	58	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-54.2	-56.3	174.8	176.5	65.5	0	0	0	111.3	S22 T23 F28 N29 F30 I100 L104	S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 PolarHBondContact O-N 2.89Å; T23-L26 PolarHBondContact O-N 2.82Å; L26-F28 PolarHBondContact O-N 3.35Å; L26-N29 PolarHBondContact O-N 3.25Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 3.44Å; L26-I100 HydrophobicContact CD2-CB 4.47Å; L26-I100 HydrophobicContact CD2-CG2 3.99Å; L26-L104 HydrophobicContact CG-CD1 4.23Å
27	I	98	Very high	88.6	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-45.3	-177.7	-62.4	163.3	0	0	0	110.5	T23 F30 H31 I100 L104 C141 V152	T23-I27 HydrophobicContact CG2-CD1 3.94Å; T23-I27 WeakPolarHBondContact O-CG1 3.49Å; T23-I27 PolarHBondContact O-N 3.47Å; T23-I27 VanDerWaalsContact O-N 3.13Å; I27-F30 PolarHBondContact O-N 3.37Å; I27-H31 PolarHBondContact O-N 2.82Å; I27-H31 PolarHBondContact O-ND1 3.33Å; I27-I100 HydrophobicContact CD1-CG2 4.17Å; I27-I100 HydrophobicContact CG1-CG2 3.9Å; I27-L104 HydrophobicContact CG1-CD1 4.36Å; I27-L104 HydrophobicContact CG1-CD2 4.35Å; I27-L104 HydrophobicContact CG2-CD2 4.19Å; I27-C141 HydrophobicContact CG2-CB 3.99Å; I27-V152 HydrophobicContact CD1-CG1 3.81Å; I27-V152 HydrophobicContact CD1-CG2 4.17Å
28	F	98.1	Very high	90.4	Very high	46 Å²	46	50.3 Å²	50.3	20%	0.202	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-40.5	-177.8	-179	-111.1	0	0	0	113	K24 E25 L26 N32 L55 W57 I139	K24-F28 VanDerWaalsContact O-CB 3.29Å; K24-F28 WeakPolarHBondContact O-CB 3.46Å; K24-F28 PolarHBondContact O-N 2.9Å; E25-F28 PolarHBondContact O-N 3.49Å; L26-F28 PolarHBondContact O-N 3.35Å; F28-N32 WeakPolarHBondContact CE1-ND2 3.43Å; F28-N32 WeakPolarHBondContact CE2-ND2 3.47Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.36Å; F28-N32 PolarHBondContact O-N 3.14Å; F28-N32 PolarHBondContact O-ND2 3Å; F28-L55 HydrophobicContact CE2-CB 4.4Å; F28-L55 VanDerWaalsContact CZ-O 3.32Å; F28-L55 WeakPolarHBondContact CZ-O 3.35Å; F28-W57 HydrophobicContact CB-CE3 4.21Å; F28-W57 HydrophobicContact CB-CZ3 4.21Å; F28-W57 AromaticContact CD2-CE3 3.69Å; F28-W57 HydrophobicContact CD2-CE3 3.69Å; F28-W57 HydrophobicContact CD2-CZ3 4.32Å; F28-W57 HydrophobicContact CE2-CB 4.23Å; F28-W57 HydrophobicContact CE2-CE3 4.33Å; F28-W57 HydrophobicContact CG-CE3 4.1Å; F28-W57 HydrophobicContact CZ-CB 4.47Å; F28-I139 HydrophobicContact CD2-CG2 3.71Å; F28-I139 HydrophobicContact CE2-CG2 3.73Å
29	N	97.8	Very high	92.4	Very high	97 Å²	97	52 Å²	52	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-70.8	-38.1	178.4	-69.7	-20	0	0	0	111.2	E25 L26 H31 N32 K33	E25-N29 WeakPolarHBondContact O-CB 3.49Å; E25-N29 PolarHBondContact O-N 3.42Å; E25-N29 PolarHBondContact O-ND2 3.08Å; L26-N29 PolarHBondContact O-N 3.25Å; N29-H31 PolarHBondContact O-N 3.03Å; N29-N32 PolarHBondContact O-N 3.35Å; N29-K33 VanDerWaalsContact O-CB 3.28Å; N29-K33 WeakPolarHBondContact O-CB 3.36Å; N29-K33 PolarHBondContact O-N 2.93Å
30	F	98.5	Very high	93.9	Very high	25 Å²	25	53 Å²	53	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-54.3	-52.9	173.5	-179.9	-90.7	0	0	0	111.5	L26 I27 N32 K33 I34 L104 L108 L131	L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 3.44Å; I27-F30 PolarHBondContact O-N 3.37Å; F30-N32 PolarHBondContact O-N 2.89Å; F30-K33 WeakPolarHBondContact O-CB 3.18Å; F30-K33 PolarHBondContact O-N 3.48Å; F30-K33 VanDerWaalsContact O-N 3.15Å; F30-I34 HydrophobicContact CD1-CG1 4.28Å; F30-I34 HydrophobicContact CE1-CG1 3.92Å; F30-I34 HydrophobicContact CE2-CD1 4.49Å; F30-I34 HydrophobicContact CE2-CG1 4.47Å; F30-I34 HydrophobicContact CZ-CD1 4.33Å; F30-I34 HydrophobicContact CZ-CG1 4.03Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 3.31Å; F30-L104 HydrophobicContact CB-CD1 3.94Å; F30-L104 HydrophobicContact CD1-CB 3.95Å; F30-L104 HydrophobicContact CD1-CD1 4.34Å; F30-L104 HydrophobicContact CD1-CD2 3.93Å; F30-L104 HydrophobicContact CD1-CG 4.28Å; F30-L104 HydrophobicContact CD2-CB 3.99Å; F30-L104 HydrophobicContact CD2-CD1 4.15Å; F30-L104 HydrophobicContact CE1-CB 3.78Å; F30-L104 HydrophobicContact CE1-CD2 4.34Å; F30-L104 WeakPolarHBondContact CE1-O 3.28Å; F30-L104 HydrophobicContact CE2-CB 3.82Å; F30-L104 HydrophobicContact CG-CB 4.04Å; F30-L104 HydrophobicContact CG-CD1 3.89Å; F30-L104 HydrophobicContact CG-CD2 4.32Å; F30-L104 HydrophobicContact CG-CG 4.31Å; F30-L104 HydrophobicContact CZ-CB 3.71Å; F30-L104 WeakPolarHBondContact CZ-O 3.07Å; F30-L108 HydrophobicContact CZ-CB 3.96Å; F30-L108 HydrophobicContact CZ-CD2 4.11Å; F30-L131 HydrophobicContact CE1-CD2 3.88Å
31	H	98.7	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-48.9	179.1	-76.9	77.2	0	0	0	112.5	I27 N29 K33 I34 R35 L55 I139 Y156	I27-H31 PolarHBondContact O-N 2.82Å; I27-H31 PolarHBondContact O-ND1 3.33Å; N29-H31 PolarHBondContact O-N 3.03Å; H31-K33 VanDerWaalsContact C-N 3.29Å; H31-K33 PolarHBondContact O-N 3.14Å; H31-I34 PolarHBondContact O-N 3.08Å; H31-R35 WeakPolarHBondContact O-CB 3.46Å; H31-R35 VanDerWaalsContact O-CG 3.3Å; H31-R35 WeakPolarHBondContact O-CG 3.15Å; H31-R35 PolarHBondContact O-N 3.03Å; H31-L55 HydrophobicContact CB-CD1 4.07Å; H31-I139 HydrophobicContact CB-CD1 4.35Å; H31-Y156 AromaticContact CD2-CE1 3.73Å; H31-Y156 AromaticContact NE2-CE1 3.6Å; H31-Y156 AromaticContact NE2-CZ 3.59Å; H31-Y156 PolarHBondContact NE2-OH 3.32Å
32	N	98.8	Very high	96.6	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.08	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-31.1	-179.3	-78.8	-55.3	0	0	0	112.7	F28 N29 F30 E36 K54 L55	F28-N32 WeakPolarHBondContact CE1-ND2 3.43Å; F28-N32 WeakPolarHBondContact CE2-ND2 3.47Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.36Å; F28-N32 PolarHBondContact O-N 3.14Å; F28-N32 PolarHBondContact O-ND2 3Å; N29-N32 PolarHBondContact O-N 3.35Å; F30-N32 PolarHBondContact O-N 2.89Å; N32-E36 VanDerWaalsContact O-CB 3.29Å; N32-E36 WeakPolarHBondContact O-CB 3.12Å; N32-E36 PolarHBondContact O-N 2.98Å; N32-K54 WeakPolarHBondContact OD1-CA 3.17Å; N32-K54 WeakPolarHBondContact OD1-CB 3.48Å; N32-L55 PolarHBondContact OD1-N 3Å
33	K	98.6	Very high	97.4	Very high	105 Å²	105	48.6 Å²	48.6	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-47.9	174.3	179.1	60.9	169.1	71.3	0	111.4	N29 F30 H31 R35 E36 D37	N29-K33 VanDerWaalsContact O-CB 3.28Å; N29-K33 WeakPolarHBondContact O-CB 3.36Å; N29-K33 PolarHBondContact O-N 2.93Å; F30-K33 WeakPolarHBondContact O-CB 3.18Å; F30-K33 PolarHBondContact O-N 3.48Å; F30-K33 VanDerWaalsContact O-N 3.15Å; H31-K33 VanDerWaalsContact C-N 3.29Å; H31-K33 PolarHBondContact O-N 3.14Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.23Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.01Å; K33-D37 IonicContact NZ-OD1 2.63Å; K33-D37 PolarHBondContact NZ-OD1 3.44Å; K33-D37 IonicContact NZ-OD2 2.66Å; K33-D37 PolarHBondContact NZ-OD2 2.96Å; K33-D37 PolarHBondContact O-N 2.95Å
34	I	98.7	Very high	97.7	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-43.3	177.9	-60.7	-48.8	0	0	0	111.2	F30 H31 E36 D37 V38 L43 L108 V132	F30-I34 HydrophobicContact CD1-CG1 4.28Å; F30-I34 HydrophobicContact CE1-CG1 3.92Å; F30-I34 HydrophobicContact CE2-CD1 4.49Å; F30-I34 HydrophobicContact CE2-CG1 4.47Å; F30-I34 HydrophobicContact CZ-CD1 4.33Å; F30-I34 HydrophobicContact CZ-CG1 4.03Å; F30-I34 WeakPolarHBondContact O-CG1 3.49Å; F30-I34 PolarHBondContact O-N 3.31Å; H31-I34 PolarHBondContact O-N 3.08Å; I34-E36 VanDerWaalsContact C-N 3.31Å; I34-E36 PolarHBondContact O-N 3.01Å; I34-D37 PolarHBondContact O-N 2.99Å; I34-V38 WeakPolarHBondContact O-CG2 3.2Å; I34-V38 PolarHBondContact O-N 2.89Å; I34-L43 HydrophobicContact CG2-CD2 4.28Å; I34-L108 HydrophobicContact CD1-CD1 3.82Å; I34-L108 HydrophobicContact CD1-CD2 3.58Å; I34-L108 HydrophobicContact CD1-CG 4.33Å; I34-L108 HydrophobicContact CG1-CD1 4.06Å; I34-L108 HydrophobicContact CG1-CD2 4.4Å; I34-L108 HydrophobicContact CG2-CD1 3.78Å; I34-V132 HydrophobicContact CG2-CG1 3.88Å
35	R	98.8	Very high	97.8	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-40.2	175	-73.3	176.5	75.1	84.6	-4.2	112.6	H31 K33 F39 M52 S53 L131 W133 T136	H31-R35 WeakPolarHBondContact O-CB 3.46Å; H31-R35 VanDerWaalsContact O-CG 3.3Å; H31-R35 WeakPolarHBondContact O-CG 3.15Å; H31-R35 PolarHBondContact O-N 3.03Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 3.23Å; R35-F39 WeakPolarHBondContact O-CB 3.35Å; R35-F39 PolarHBondContact O-N 3.37Å; R35-F39 VanDerWaalsContact O-N 3.13Å; R35-M52 HydrophobicContact CB-CG 3.58Å; R35-M52 HydrophobicContact CB-SD 4.48Å; R35-M52 HydrophobicContact CG-CG 3.96Å; R35-M52 HydrophobicContact CG-SD 4.21Å; R35-M52 PolarHBondContact NH1-SD 3.29Å; R35-M52 VanDerWaalsContact NH1-SD 3.44Å; R35-M52 PolarHBondContact NH2-SD 3.12Å; R35-M52 VanDerWaalsContact NH2-SD 3.41Å; R35-M52 VanDerWaalsContact O-CG 3.3Å; R35-M52 WeakPolarHBondContact O-CG 3.39Å; R35-S53 VanDerWaalsContact CZ-O 3.26Å; R35-S53 PolarHBondContact NE-O 3.33Å; R35-S53 PolarHBondContact NH2-O 3.49Å; R35-L131 WeakPolarHBondContact CG-O 3.34Å; R35-L131 PolarHBondContact NH1-O 3.31Å; R35-W133 PolarHBondContact NH1-O 2.78Å; R35-W133 PolarHBondContact NH2-O 3.32Å; R35-T136 PolarHBondContact NH2-O 3.12Å
36	E	98.7	Very high	97.9	Very high	60 Å²	60	47.6 Å²	47.6	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-67	-38.8	174.3	-178.8	169.6	-165.4	0	0	112.1	N32 K33 I34 F39 K40	N32-E36 VanDerWaalsContact O-CB 3.29Å; N32-E36 WeakPolarHBondContact O-CB 3.12Å; N32-E36 PolarHBondContact O-N 2.98Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.01Å; I34-E36 VanDerWaalsContact C-N 3.31Å; I34-E36 PolarHBondContact O-N 3.01Å; E36-F39 WeakPolarHBondContact O-CB 3.34Å; E36-F39 PolarHBondContact O-N 3.02Å; E36-K40 HydrophobicContact CG-CD 4Å; E36-K40 HydrophobicContact CG-CG 4.48Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 WeakPolarHBondContact O-CG 3.46Å; E36-K40 PolarHBondContact O-N 3.03Å; E36-K40 WeakPolarHBondContact OE1-CE 3.4Å; E36-K40 IonicContact OE1-NZ 2.87Å; E36-K40 PolarHBondContact OE1-NZ 2.88Å
37	D	98.6	Very high	98	Very high	22 Å²	22	46 Å²	46	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-41.8	179.2	-69.5	-20	0	0	0	112.3	K33 I34 K40 G41 V42 L43	K33-D37 IonicContact NZ-OD1 2.63Å; K33-D37 PolarHBondContact NZ-OD1 3.44Å; K33-D37 IonicContact NZ-OD2 2.66Å; K33-D37 PolarHBondContact NZ-OD2 2.96Å; K33-D37 PolarHBondContact O-N 2.95Å; I34-D37 PolarHBondContact O-N 2.99Å; D37-K40 PolarHBondContact O-N 2.97Å; D37-G41 PolarHBondContact O-N 3.48Å; D37-V42 HydrophobicContact CB-CG2 3.85Å; D37-V42 PolarHBondContact O-N 3.26Å; D37-L43 HydrophobicContact CB-CB 4.03Å; D37-L43 PolarHBondContact O-N 2.99Å
38	V	98.3	Very high	98	Very high	1 Å²	1	50 Å²	50	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-42.6	173.4	173.3	0	0	0	0	111	I34 K40 G41 L43 K48 A49 M52 V132 Y166	I34-V38 WeakPolarHBondContact O-CG2 3.2Å; I34-V38 PolarHBondContact O-N 2.89Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 3.24Å; V38-G41 PolarHBondContact O-N 3.38Å; V38-L43 HydrophobicContact CG2-CB 3.89Å; V38-L43 HydrophobicContact CG2-CD2 3.34Å; V38-L43 HydrophobicContact CG2-CG 4.21Å; V38-K48 WeakPolarHBondContact O-CA 3.45Å; V38-A49 HydrophobicContact CG1-CB 3.6Å; V38-A49 PolarHBondContact O-N 2.9Å; V38-M52 HydrophobicContact CG1-CE 4.35Å; V38-V132 HydrophobicContact CG2-CG1 3.91Å; V38-Y166 HydrophobicContact CG1-CD1 4.17Å; V38-Y166 HydrophobicContact CG1-CD2 4.43Å; V38-Y166 HydrophobicContact CG1-CE1 3.66Å; V38-Y166 HydrophobicContact CG1-CE2 3.92Å; V38-Y166 VanDerWaalsContact CG1-CZ 3.5Å
39	F	98.4	Very high	98	Very high	95 Å²	95	47.8 Å²	47.8	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-38.9	176.4	-177.7	-121.3	0	0	0	113.2	R35 E36 G41 K48 M52	R35-F39 WeakPolarHBondContact O-CB 3.35Å; R35-F39 PolarHBondContact O-N 3.37Å; R35-F39 VanDerWaalsContact O-N 3.13Å; E36-F39 WeakPolarHBondContact O-CB 3.34Å; E36-F39 PolarHBondContact O-N 3.02Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.46Å; F39-K48 WeakPolarHBondContact O-CE 3.21Å; F39-K48 WeakPolarHBondContact O-CG 3.44Å; F39-M52 HydrophobicContact CB-CB 3.91Å; F39-M52 HydrophobicContact CD2-CB 4.48Å; F39-M52 HydrophobicContact CG-CB 4.49Å
40	K	98.1	Very high	98	Very high	118 Å²	118	48.8 Å²	48.8	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-79.1	-9.7	177.7	-71.4	178.7	-176.8	174.7	0	113.1	E36 D37 V38 V42	E36-K40 HydrophobicContact CG-CD 4Å; E36-K40 HydrophobicContact CG-CG 4.48Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 WeakPolarHBondContact O-CG 3.46Å; E36-K40 PolarHBondContact O-N 3.03Å; E36-K40 WeakPolarHBondContact OE1-CE 3.4Å; E36-K40 IonicContact OE1-NZ 2.87Å; E36-K40 PolarHBondContact OE1-NZ 2.88Å; D37-K40 PolarHBondContact O-N 2.97Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 3.24Å; K40-V42 VanDerWaalsContact C-N 3.3Å; K40-V42 HydrophobicContact CB-CG1 4.26Å; K40-V42 HydrophobicContact CB-CG2 4.04Å
41	G	97.7	Very high	98	Very high	37 Å²	37	54.6 Å²	54.6	38%	0.381	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	27.4	-176.3	0	0	0	0	0	113.2	D37 V38 F39	D37-G41 PolarHBondContact O-N 3.48Å; V38-G41 PolarHBondContact O-N 3.38Å; F39-G41 VanDerWaalsContact C-N 3.27Å; F39-G41 PolarHBondContact O-N 3.46Å
42	V	98	Very high	98	Very high	95 Å²	95	55.3 Å²	55.3	58%	0.576	30%	0.299	S	S	*	.			trans	-108.9	-0.6	179.9	-58.2	0	0	0	0	112.7	D37 K40 S44	D37-V42 HydrophobicContact CB-CG2 3.85Å; D37-V42 PolarHBondContact O-N 3.26Å; K40-V42 VanDerWaalsContact C-N 3.3Å; K40-V42 HydrophobicContact CB-CG1 4.26Å; K40-V42 HydrophobicContact CB-CG2 4.04Å; V42-S44 PolarHBondContact O-N 2.94Å
43	L	97.7	Very high	97.9	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	32%	0.315	C	S	.	.	S	Bend	trans	-75.1	108	170.4	-172.8	68.5	0	0	0	109.5	I34 D37 V38 G45 Q46 L108 K111 Y128	I34-L43 HydrophobicContact CG2-CD2 4.28Å; D37-L43 HydrophobicContact CB-CB 4.03Å; D37-L43 PolarHBondContact O-N 2.99Å; V38-L43 HydrophobicContact CG2-CB 3.89Å; V38-L43 HydrophobicContact CG2-CD2 3.34Å; V38-L43 HydrophobicContact CG2-CG 4.21Å; L43-G45 PolarHBondContact O-N 2.99Å; L43-Q46 HydrophobicContact CD2-CB 4.16Å; L43-Q46 HydrophobicContact CD2-CG 4.13Å; L43-Q46 HydrophobicContact CG-CB 4.42Å; L43-Q46 PolarHBondContact O-N 3.07Å; L43-L108 HydrophobicContact CD1-CD1 4.14Å; L43-L108 HydrophobicContact CD2-CD1 4.41Å; L43-K111 HydrophobicContact CD1-CD 4.37Å; L43-K111 HydrophobicContact CD2-CD 4.16Å; L43-K111 HydrophobicContact CG-CD 4.29Å; L43-Y128 HydrophobicContact CD2-CE2 4Å
44	S	96.5	Very high	97.9	Very high	94 Å²	94	59.4 Å²	59.4	66%	0.657	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135	-179.1	-175.9	0	0	0	0	112.6	V42 Q46 K111	V42-S44 PolarHBondContact O-N 2.94Å; S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.3Å; S44-K111 PolarHBondContact O-NZ 3.19Å
45	G	95.6	Very high	97.9	Very high	70 Å²	70	59.3 Å²	59.3	72%	0.722	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-2.4	177	0	0	0	0	0	115.3	L43	L43-G45 PolarHBondContact O-N 2.99Å
46	Q	96.8	Very high	97.8	Very high	21 Å²	21	66.1 Å²	66.1	10%	0.098	35%	0.353	C	S	.	.	S	Bend	trans	-125.4	135.8	-170.8	-69.2	-66.1	-29.7	0	0	111.6	L43 S44 K111 Y114 Y128	L43-Q46 HydrophobicContact CD2-CB 4.16Å; L43-Q46 HydrophobicContact CD2-CG 4.13Å; L43-Q46 HydrophobicContact CG-CB 4.42Å; L43-Q46 PolarHBondContact O-N 3.07Å; S44-Q46 VanDerWaalsContact C-N 3.3Å; S44-Q46 PolarHBondContact O-N 3.3Å; Q46-K111 HydrophobicContact CG-CB 4.19Å; Q46-K111 HydrophobicContact CG-CD 4.45Å; Q46-K111 PolarHBondContact NE2-O 2.97Å; Q46-Y114 PolarHBondContact NE2-O 2.96Å; Q46-Y128 VanDerWaalsContact CG-OH 3.23Å; Q46-Y128 WeakPolarHBondContact CG-OH 3.15Å; Q46-Y128 PolarHBondContact OE1-OH 3.47Å
47	P	97.2	Very high	97.8	Very high	35 Å²	35	66.2 Å²	66.2	23%	0.227	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-63	147.8	177	-23.4	34.8	0	0	0	112.2	A49 L116 Y166 K168	P47-A49 PolarHBondContact O-N 2.91Å; P47-L116 HydrophobicContact CB-CD2 3.78Å; P47-L116 HydrophobicContact CG-CB 4.21Å; P47-L116 HydrophobicContact CG-CD2 3.66Å; P47-Y166 WeakPolarHBondContact O-CE2 3.35Å; P47-Y166 PolarHBondContact O-OH 2.63Å; P47-K168 HydrophobicContact CB-CB 4.46Å; P47-K168 HydrophobicContact CB-CD 3.44Å; P47-K168 VanDerWaalsContact CB-CD 3.44Å; P47-K168 HydrophobicContact CB-CG 3.7Å; P47-K168 HydrophobicContact CG-CD 4.01Å
48	K	98.2	Very high	97.6	Very high	87 Å²	87	66.4 Å²	66.4	38%	0.378	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-59.5	133	174.9	-176.1	-178.9	175.9	-151.9	0	110.3	V38 F39 K168 D169	V38-K48 WeakPolarHBondContact O-CA 3.45Å; F39-K48 WeakPolarHBondContact O-CE 3.21Å; F39-K48 WeakPolarHBondContact O-CG 3.44Å; K48-K168 CarbonylContact O-C 3.58Å; K48-K168 WeakPolarHBondContact O-CA 3.3Å; K48-D169 HydrophobicContact CB-CB 4.25Å; K48-D169 HydrophobicContact CD-CB 4.08Å; K48-D169 WeakPolarHBondContact CD-OD2 3.11Å; K48-D169 VanDerWaalsContact CE-OD2 3.3Å; K48-D169 WeakPolarHBondContact CE-OD2 3.36Å; K48-D169 HydrophobicContact CG-CB 4.05Å; K48-D169 IonicContact NZ-OD2 2.63Å; K48-D169 PolarHBondContact NZ-OD2 2.88Å; K48-D169 PolarHBondContact O-N 3.5Å
49	A	98.5	Very high	97.5	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-79.5	136.5	171.9	0	0	0	0	0	111.3	V38 P47 K51 M52 Y166 E167	V38-A49 HydrophobicContact CG1-CB 3.6Å; V38-A49 PolarHBondContact O-N 2.9Å; P47-A49 PolarHBondContact O-N 2.91Å; A49-K51 PolarHBondContact O-N 2.89Å; A49-M52 HydrophobicContact CB-CB 4.41Å; A49-M52 HydrophobicContact CB-CE 4.04Å; A49-Y166 HydrophobicContact CB-CD2 3.48Å; A49-Y166 VanDerWaalsContact CB-CD2 3.48Å; A49-Y166 HydrophobicContact CB-CE2 3.92Å; A49-Y166 HydrophobicContact CB-CG 3.86Å; A49-E167 WeakPolarHBondContact CA-O 3.1Å
50	K	98.2	Very high	97.2	Very high	118 Å²	118	74 Å²	74	51%	0.513	39%	0.388	S	S	.	.	S	Bend	trans	-62.6	-33.3	170.8	-178.1	175.3	167.7	-163.6	0	112.2	E167 D169	K50-E167 HydrophobicContact CB-CB 4.26Å; K50-E167 WeakPolarHBondContact CB-O 3.14Å; K50-E167 HydrophobicContact CD-CB 4.37Å; K50-E167 WeakPolarHBondContact CD-OE2 3.46Å; K50-E167 PolarHBondContact N-O 2.85Å; K50-E167 IonicContact NZ-OE2 2.71Å; K50-E167 PolarHBondContact NZ-OE2 3.4Å; K50-D169 HydrophobicContact CB-CB 4.32Å
51	K	98	Very high	97.1	Very high	147 Å²	147	68.4 Å²	68.4	64%	0.639	36%	0.363	S	S	*	.			trans	-148.4	133.7	175.8	-177.7	-177.8	176.7	-173	0	110.3	A49	A49-K51 PolarHBondContact O-N 2.89Å
52	M	98.4	Very high	97	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.079	35%	0.35	C	S	.	.			trans	-148.9	110	167.6	-164.8	60.1	63	0	0	109.9	R35 V38 F39 A49 V132 A134 Y166	R35-M52 HydrophobicContact CB-CG 3.58Å; R35-M52 HydrophobicContact CB-SD 4.48Å; R35-M52 HydrophobicContact CG-CG 3.96Å; R35-M52 HydrophobicContact CG-SD 4.21Å; R35-M52 PolarHBondContact NH1-SD 3.29Å; R35-M52 VanDerWaalsContact NH1-SD 3.44Å; R35-M52 PolarHBondContact NH2-SD 3.12Å; R35-M52 VanDerWaalsContact NH2-SD 3.41Å; R35-M52 VanDerWaalsContact O-CG 3.3Å; R35-M52 WeakPolarHBondContact O-CG 3.39Å; V38-M52 HydrophobicContact CG1-CE 4.35Å; F39-M52 HydrophobicContact CB-CB 3.91Å; F39-M52 HydrophobicContact CD2-CB 4.48Å; F39-M52 HydrophobicContact CG-CB 4.49Å; A49-M52 HydrophobicContact CB-CB 4.41Å; A49-M52 HydrophobicContact CB-CE 4.04Å; M52-V132 HydrophobicContact CE-CB 4.48Å; M52-V132 WeakPolarHBondContact CE-O 3.06Å; M52-A134 HydrophobicContact CE-CB 4.21Å; M52-A134 HydrophobicContact SD-CB 4.36Å; M52-Y166 HydrophobicContact CE-CD1 3.78Å; M52-Y166 HydrophobicContact CE-CG 3.88Å
53	S	97.3	Very high	96.8	Very high	61 Å²	61	70.1 Å²	70.1	43%	0.427	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-86.8	148.1	-178.8	-64.2	0	0	0	0	111.6	R35	R35-S53 VanDerWaalsContact CZ-O 3.26Å; R35-S53 PolarHBondContact NE-O 3.33Å; R35-S53 PolarHBondContact NH2-O 3.49Å
54	K	98.2	Very high	96.6	Very high	144 Å²	144	72.2 Å²	72.2	63%	0.626	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-62.5	140.2	170.3	-67.3	-172.6	178.1	-173.3	0	110.5	N32	N32-K54 WeakPolarHBondContact OD1-CA 3.17Å; N32-K54 WeakPolarHBondContact OD1-CB 3.48Å
55	L	98.5	Very high	96.6	Very high	8 Å²	8	67.7 Å²	67.7	4%	0.042	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.4	149.4	176.2	-59.7	177.8	0	0	0	110.8	F28 H31 N32 T136 T137 I139	F28-L55 HydrophobicContact CE2-CB 4.4Å; F28-L55 VanDerWaalsContact CZ-O 3.32Å; F28-L55 WeakPolarHBondContact CZ-O 3.35Å; H31-L55 HydrophobicContact CB-CD1 4.07Å; N32-L55 PolarHBondContact OD1-N 3Å; L55-T136 HydrophobicContact CD2-CG2 3.74Å; L55-T136 VanDerWaalsContact CD2-O 3.28Å; L55-T136 WeakPolarHBondContact CD2-O 3.26Å; L55-T137 WeakPolarHBondContact CA-O 3.46Å; L55-I139 HydrophobicContact CB-CB 4.44Å; L55-I139 HydrophobicContact CB-CG2 3.78Å; L55-I139 HydrophobicContact CD1-CB 4.01Å; L55-I139 HydrophobicContact CD1-CD1 4.05Å; L55-I139 HydrophobicContact CD1-CG2 3.96Å; L55-I139 HydrophobicContact CG-CG2 4.5Å
56	K	97.9	Very high	96.6	Very high	145 Å²	145	69.9 Å²	69.9	63%	0.63	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.3	172.8	-64.4	173.5	-174.9	172.2	0	109.9	N58 T137 D138 I139	K56-N58 PolarHBondContact O-N 3.44Å; K56-T137 PolarHBondContact N-O 2.78Å; K56-D138 WeakPolarHBondContact O-CA 3.49Å; K56-I139 PolarHBondContact O-N 3.36Å
57	W	97.3	Very high	96.4	Very high	63 Å²	63	70.4 Å²	70.4	24%	0.239	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.6	174.7	-173.5	-91.8	0	0	0	111.1	K24 F28 A62 I139 C141	K24-W57 HydrophobicContact CD-CH2 4.3Å; K24-W57 HydrophobicContact CD-CZ2 3.97Å; K24-W57 VanDerWaalsContact CE-CE2 3.4Å; K24-W57 HydrophobicContact CG-CH2 3.59Å; K24-W57 HydrophobicContact CG-CZ2 3.78Å; K24-W57 HydrophobicContact CG-CZ3 4.03Å; F28-W57 HydrophobicContact CB-CE3 4.21Å; F28-W57 HydrophobicContact CB-CZ3 4.21Å; F28-W57 AromaticContact CD2-CE3 3.69Å; F28-W57 HydrophobicContact CD2-CE3 3.69Å; F28-W57 HydrophobicContact CD2-CZ3 4.32Å; F28-W57 HydrophobicContact CE2-CB 4.23Å; F28-W57 HydrophobicContact CE2-CE3 4.33Å; F28-W57 HydrophobicContact CG-CE3 4.1Å; F28-W57 HydrophobicContact CZ-CB 4.47Å; W57-A62 HydrophobicContact CH2-CB 4.25Å; W57-A62 HydrophobicContact CZ2-CB 3.36Å; W57-I139 CarbonylContact C-O 3.58Å; W57-I139 WeakPolarHBondContact CA-O 3.33Å; W57-I139 HydrophobicContact CE3-CG2 4.45Å; W57-C141 HydrophobicContact CH2-CB 4.04Å; W57-C141 WeakPolarHBondContact CH2-O 3.16Å; W57-C141 HydrophobicContact CZ3-CB 4.29Å
58	N	95.6	Very high	96.3	Very high	25 Å²	25	69.6 Å²	69.6	13%	0.134	33%	0.328	C	S	.	.			trans	-109.2	118.2	177.9	-171.3	-61.2	0	0	0	111	K56 L60 L61 A62 D138 I139	K56-N58 PolarHBondContact O-N 3.44Å; N58-L60 VanDerWaalsContact C-N 3.32Å; N58-L60 PolarHBondContact O-N 3.08Å; N58-L60 PolarHBondContact OD1-N 3.12Å; N58-L61 HydrophobicContact CB-CB 4.06Å; N58-L61 HydrophobicContact CB-CD1 3.77Å; N58-L61 HydrophobicContact CB-CG 3.97Å; N58-L61 PolarHBondContact O-N 3.38Å; N58-L61 PolarHBondContact OD1-N 3.14Å; N58-L61 VanDerWaalsContact OD1-N 3.12Å; N58-A62 WeakPolarHBondContact O-CB 3.22Å; N58-A62 PolarHBondContact O-N 2.78Å; N58-A62 VanDerWaalsContact O-N 3.08Å; N58-D138 HydrophobicContact CB-CB 4.04Å; N58-D138 PolarHBondContact ND2-OD1 2.92Å; N58-D138 VanDerWaalsContact ND2-OD1 3.11Å; N58-I139 PolarHBondContact N-O 2.84Å
59	K	94.5	Very high	96.2	Very high	178 Å²	178	65.5 Å²	65.5	77%	0.774	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-31.1	-176.4	-67.4	-178.3	-179.3	176.8	0	113.2	K63	K59-K63 WeakPolarHBondContact O-CB 3.22Å; K59-K63 PolarHBondContact O-N 3.01Å
60	L	93.9	Very high	96	Very high	79 Å²	79	71.6 Å²	71.6	41%	0.414	34%	0.339	S	S	.	.	H	α-helix	trans	-74.4	-46.4	179.2	-179.1	54.3	0	0	0	110.7	N58 A62 K63 L64 V84	N58-L60 VanDerWaalsContact C-N 3.32Å; N58-L60 PolarHBondContact O-N 3.08Å; N58-L60 PolarHBondContact OD1-N 3.12Å; L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.48Å; L60-K63 WeakPolarHBondContact O-CB 3.27Å; L60-K63 PolarHBondContact O-N 2.98Å; L60-K63 VanDerWaalsContact O-N 3.08Å; L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 2.8Å; L60-V84 HydrophobicContact CD2-CG1 4.14Å; L60-V84 HydrophobicContact CD2-CG2 4.15Å; L60-V84 HydrophobicContact CG-CG2 4.18Å
61	L	95.7	Very high	95.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-54.5	-43.7	172.8	-69.4	178.9	0	0	0	111.5	N58 L64 A65 V84 V90 D138 N155 A157	N58-L61 HydrophobicContact CB-CB 4.06Å; N58-L61 HydrophobicContact CB-CD1 3.77Å; N58-L61 HydrophobicContact CB-CG 3.97Å; N58-L61 PolarHBondContact O-N 3.38Å; N58-L61 PolarHBondContact OD1-N 3.14Å; N58-L61 VanDerWaalsContact OD1-N 3.12Å; L61-L64 PolarHBondContact O-N 2.67Å; L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 3.36Å; L61-V84 HydrophobicContact CD2-CB 4.37Å; L61-V84 HydrophobicContact CD2-CG2 3.53Å; L61-V84 HydrophobicContact CG-CG2 4.22Å; L61-V90 HydrophobicContact CD2-CG1 3.96Å; L61-V90 HydrophobicContact CD2-CG2 4.08Å; L61-D138 HydrophobicContact CD1-CB 4.02Å; L61-N155 HydrophobicContact CB-CB 4.06Å; L61-N155 HydrophobicContact CD2-CB 3.78Å; L61-N155 HydrophobicContact CG-CB 4.41Å; L61-N155 PolarHBondContact O-ND2 3.24Å; L61-A157 HydrophobicContact CD1-CB 3.83Å; L61-A157 HydrophobicContact CD2-CB 4.43Å
62	A	95.7	Very high	95.8	Very high	13 Å²	13	68 Å²	68	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-36.9	177.5	0	0	0	0	0	113	W57 N58 L60 A65 K66	W57-A62 HydrophobicContact CH2-CB 4.25Å; W57-A62 HydrophobicContact CZ2-CB 3.36Å; N58-A62 WeakPolarHBondContact O-CB 3.22Å; N58-A62 PolarHBondContact O-N 2.78Å; N58-A62 VanDerWaalsContact O-N 3.08Å; L60-A62 VanDerWaalsContact C-N 3.25Å; L60-A62 PolarHBondContact O-N 3.48Å; A62-A65 PolarHBondContact O-N 3.01Å; A62-K66 WeakPolarHBondContact O-CB 3.45Å; A62-K66 PolarHBondContact O-N 2.02Å
63	K	94	Very high	95.5	Very high	155 Å²	155	71.6 Å²	71.6	67%	0.674	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-41.9	174.7	-177.1	-177	176.6	-174.3	0	111	K59 L60 K66 G67	K59-K63 WeakPolarHBondContact O-CB 3.22Å; K59-K63 PolarHBondContact O-N 3.01Å; L60-K63 WeakPolarHBondContact O-CB 3.27Å; L60-K63 PolarHBondContact O-N 2.98Å; L60-K63 VanDerWaalsContact O-N 3.08Å; K63-K66 WeakPolarHBondContact O-CB 3.03Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-G67 PolarHBondContact O-N 3.4Å
64	L	93.6	Very high	95.3	Very high	57 Å²	57	73.6 Å²	73.6	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-46.5	176.3	-66.4	170.6	0	0	0	111	L60 L61 K66 G67 H68 L82 V84	L60-L64 HydrophobicContact CD1-CG 4.38Å; L60-L64 HydrophobicContact CG-CD1 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 2.8Å; L61-L64 PolarHBondContact O-N 2.67Å; L64-K66 VanDerWaalsContact C-N 3.26Å; L64-K66 PolarHBondContact O-N 2.68Å; L64-G67 PolarHBondContact O-N 3.24Å; L64-G67 VanDerWaalsContact O-N 3.11Å; L64-H68 PolarHBondContact O-N 3.29Å; L64-H68 VanDerWaalsContact O-N 3.09Å; L64-L82 HydrophobicContact CB-CD2 4.18Å; L64-L82 HydrophobicContact CD1-CD2 4.11Å; L64-L82 HydrophobicContact CG-CD2 4.5Å; L64-V84 HydrophobicContact CD1-CG2 4.07Å
65	A	95.5	Very high	94.9	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.7	-40.9	174.4	0	0	0	0	0	111.5	L61 A62 G67 H68 V69 A142 V153 N155	L61-A65 WeakPolarHBondContact O-CB 3.35Å; L61-A65 PolarHBondContact O-N 3.36Å; A62-A65 PolarHBondContact O-N 3.01Å; A65-G67 PolarHBondContact O-N 2.86Å; A65-H68 WeakPolarHBondContact O-CB 3.17Å; A65-H68 PolarHBondContact O-N 3.24Å; A65-H68 VanDerWaalsContact O-N 3.08Å; A65-V69 PolarHBondContact O-N 3.43Å; A65-A142 HydrophobicContact CB-CB 3.92Å; A65-V153 HydrophobicContact CB-CB 4.21Å; A65-V153 HydrophobicContact CB-CG1 3.96Å; A65-V153 WeakPolarHBondContact CB-O 3.3Å; A65-N155 PolarHBondContact N-ND2 3.31Å; A65-N155 VanDerWaalsContact N-ND2 3.14Å
66	K	94.9	Very high	94	Very high	116 Å²	116	73.2 Å²	73.2	50%	0.504	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-43.8	175.9	-174.3	177.7	178.6	-177.9	0	112.1	A62 K63 L64 H68 V69 Q70 A142	A62-K66 WeakPolarHBondContact O-CB 3.45Å; A62-K66 PolarHBondContact O-N 2.02Å; K63-K66 WeakPolarHBondContact O-CB 3.03Å; K63-K66 PolarHBondContact O-N 3.49Å; L64-K66 VanDerWaalsContact C-N 3.26Å; L64-K66 PolarHBondContact O-N 2.68Å; K66-H68 PolarHBondContact O-N 3.12Å; K66-V69 WeakPolarHBondContact O-CG2 3.38Å; K66-Q70 WeakPolarHBondContact O-CG 3.45Å; K66-Q70 PolarHBondContact O-N 3.48Å; K66-Q70 PolarHBondContact O-OE1 2.88Å; K66-A142 VanDerWaalsContact CA-CB 3.41Å; K66-A142 HydrophobicContact CB-CB 3.88Å; K66-A142 VanDerWaalsContact N-CB 3.31Å
67	G	93.7	Very high	93.2	Very high	32 Å²	32	68.3 Å²	68.3	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-28.5	175.2	0	0	0	0	0	112.9	K63 L64 A65	K63-G67 PolarHBondContact O-N 3.4Å; L64-G67 PolarHBondContact O-N 3.24Å; L64-G67 VanDerWaalsContact O-N 3.11Å; A65-G67 PolarHBondContact O-N 2.86Å
68	H	94.6	Very high	92.4	Very high	17 Å²	17	69.7 Å²	69.7	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-74.8	-55.3	176.7	-161.7	119.6	0	0	0	112.7	L64 A65 K66 Q70 K71 D75 Q92 V153	L64-H68 PolarHBondContact O-N 3.29Å; L64-H68 VanDerWaalsContact O-N 3.09Å; A65-H68 WeakPolarHBondContact O-CB 3.17Å; A65-H68 PolarHBondContact O-N 3.24Å; A65-H68 VanDerWaalsContact O-N 3.08Å; K66-H68 PolarHBondContact O-N 3.12Å; H68-Q70 PolarHBondContact O-N 3.39Å; H68-Q70 VanDerWaalsContact O-N 3.08Å; H68-K71 WeakPolarHBondContact O-CB 3.4Å; H68-K71 PolarHBondContact O-N 3.08Å; H68-D75 PolarHBondContact CE1-O 3.46Å; H68-D75 PolarHBondContact NE2-O 2.84Å; H68-Q92 PolarHBondContact CE1-OE1 3.47Å; H68-Q92 VanDerWaalsContact CE1-OE1 3.29Å; H68-V153 HydrophobicContact CB-CB 4.46Å; H68-V153 HydrophobicContact CB-CG1 4.2Å; H68-V153 HydrophobicContact CB-CG2 4.05Å
69	V	95.8	Very high	91.7	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-22.4	-178.3	-63.2	0	0	0	0	113.1	A65 K66 K71 C72 A142 N144 M151 V153	A65-V69 PolarHBondContact O-N 3.43Å; K66-V69 WeakPolarHBondContact O-CG2 3.38Å; V69-K71 PolarHBondContact O-N 2.96Å; V69-C72 PolarHBondContact O-N 3.29Å; V69-A142 HydrophobicContact CG1-CB 4.39Å; V69-A142 WeakPolarHBondContact CG1-O 3.02Å; V69-A142 HydrophobicContact CG2-CB 3.77Å; V69-N144 HydrophobicContact CB-CB 3.66Å; V69-N144 HydrophobicContact CG2-CB 3.82Å; V69-N144 WeakPolarHBondContact O-CB 3.48Å; V69-N144 PolarHBondContact O-ND2 2.9Å; V69-M151 HydrophobicContact CG1-CG 4.33Å; V69-V153 HydrophobicContact CG1-CB 3.71Å; V69-V153 HydrophobicContact CG1-CG2 3.45Å; V69-V153 VanDerWaalsContact CG1-CG2 3.45Å
70	Q	95.4	Very high	90.8	Very high	127 Å²	127	66.5 Å²	66.5	59%	0.593	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.3	173.6	-78.1	175.7	-38.1	0	0	113.6	K66 H68	K66-Q70 WeakPolarHBondContact O-CG 3.45Å; K66-Q70 PolarHBondContact O-N 3.48Å; K66-Q70 PolarHBondContact O-OE1 2.88Å; H68-Q70 PolarHBondContact O-N 3.39Å; H68-Q70 VanDerWaalsContact O-N 3.08Å
71	K	94.9	Very high	90.1	Very high	137 Å²	137	70.3 Å²	70.3	60%	0.596	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.4	177.1	-57.5	174	-173.8	172.6	0	112.3	H68 V69 I73	H68-K71 WeakPolarHBondContact O-CB 3.4Å; H68-K71 PolarHBondContact O-N 3.08Å; V69-K71 PolarHBondContact O-N 2.96Å; K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 HydrophobicContact CB-CD1 3.99Å; K71-I73 HydrophobicContact CB-CG1 4.02Å; K71-I73 PolarHBondContact O-N 3.19Å
72	C	96.1	Very high	89.1	Confident	54 Å²	54	71.8 Å²	71.8	37%	0.365	39%	0.393	S	S	.	.			trans	53.2	47.6	-173.5	-70.6	0	0	0	0	113.2	V69 N144 C146	V69-C72 PolarHBondContact O-N 3.29Å; C72-N144 PolarHBondContact SG-ND2 3.42Å; C72-C146 WeakPolarHBondContact CA-SG 3.44Å; C72-C146 HydrophobicContact CB-CB 3.6Å; C72-C146 WeakPolarHBondContact CB-SG 3.3Å; C72-C146 WeakPolarHBondContact SG-CA 3.49Å; C72-C146 WeakPolarHBondContact SG-CB 3.28Å; C72-C146 CovalentContact SG-SG 2.04Å; C72-C146 PolarHBondContact SG-SG 2.96Å
73	I	93.5	Very high	88	Confident	91 Å²	91	79.1 Å²	79.1	47%	0.467	42%	0.419	S	S	.	.			trans	-119.4	123.8	178	-58.2	174.3	0	0	0	108.5	K71 D75 M151	K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 HydrophobicContact CB-CD1 3.99Å; K71-I73 HydrophobicContact CB-CG1 4.02Å; K71-I73 PolarHBondContact O-N 3.19Å; I73-D75 HydrophobicContact CG2-CB 3.87Å; I73-D75 PolarHBondContact O-N 3.22Å; I73-D75 VanDerWaalsContact O-N 3.08Å; I73-M151 VanDerWaalsContact C-CE 3.48Å
74	L	92.2	Very high	87.2	Confident	103 Å²	103	72.2 Å²	72.2	54%	0.539	39%	0.39	S	S	.	.			trans	-82.9	68.8	175.7	-172.7	66	0	0	0	110	V94 E96 M151	L74-V94 HydrophobicContact CD1-CG1 4.11Å; L74-E96 HydrophobicContact CD1-CG 4.03Å; L74-E96 HydrophobicContact CD2-CG 4.02Å; L74-M151 HydrophobicContact CB-CE 4.25Å
75	D	89.8	Confident	86.3	Confident	95 Å²	95	71.8 Å²	71.8	51%	0.508	40%	0.4	S	S	.	.	S	Bend	trans	-149.6	152.9	176.3	170.4	49.6	0	0	0	108	H68 I73 G77	H68-D75 PolarHBondContact CE1-O 3.46Å; H68-D75 PolarHBondContact NE2-O 2.84Å; I73-D75 HydrophobicContact CG2-CB 3.87Å; I73-D75 PolarHBondContact O-N 3.22Å; I73-D75 VanDerWaalsContact O-N 3.08Å; D75-G77 VanDerWaalsContact C-N 3.28Å; D75-G77 VanDerWaalsContact CG-N 3.34Å; D75-G77 VanDerWaalsContact OD2-CA 3.26Å; D75-G77 WeakPolarHBondContact OD2-CA 3.34Å; D75-G77 PolarHBondContact OD2-N 3.25Å
76	S	80.3	Confident	85.7	Confident	49 Å²	49	79.2 Å²	79.2	34%	0.343	43%	0.432	S	S	.	.			trans	-77.6	-14.9	178.8	-63	0	0	0	0	113.1	Q92	S76-Q92 PolarHBondContact O-OE1 3.47Å
77	G	79.5	Confident	85.3	Confident	42 Å²	42	74.8 Å²	74.8	43%	0.433	41%	0.413	S	S	.	.			trans	61.8	-158.2	-171.9	0	0	0	0	0	112	D75 L79	D75-G77 VanDerWaalsContact C-N 3.28Å; D75-G77 VanDerWaalsContact CG-N 3.34Å; D75-G77 VanDerWaalsContact OD2-CA 3.26Å; D75-G77 WeakPolarHBondContact OD2-CA 3.34Å; D75-G77 PolarHBondContact OD2-N 3.25Å; G77-L79 PolarHBondContact O-N 3.39Å
78	D	81.2	Confident	84.7	Confident	91 Å²	91	81.3 Å²	81.3	49%	0.487	44%	0.441	S	S	.	.			trans	-90.8	99.2	178.5	-177.9	-4.9	0	0	0	110.7	G80 K81	D78-G80 PolarHBondContact O-N 3.45Å; D78-G80 WeakPolarHBondContact OD1-CA 3.32Å; D78-G80 PolarHBondContact OD1-N 3.41Å; D78-K81 HydrophobicContact CB-CD 4.27Å; D78-K81 HydrophobicContact CB-CG 4.2Å; D78-K81 WeakPolarHBondContact O-CB 3.37Å; D78-K81 PolarHBondContact O-N 2.91Å; D78-K81 VanDerWaalsContact O-N 3.12Å; D78-K81 IonicContact OD2-NZ 2.68Å; D78-K81 PolarHBondContact OD2-NZ 2.84Å
79	L	81.1	Confident	84.6	Confident	66 Å²	66	83 Å²	83	35%	0.346	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-62.3	-26.5	178.6	-59.4	-175.8	0	0	0	112.7	G77 K81 L82 Q92	G77-L79 PolarHBondContact O-N 3.39Å; L79-K81 PolarHBondContact O-N 2.91Å; L79-K81 VanDerWaalsContact O-N 3.12Å; L79-L82 HydrophobicContact CD2-CD1 3.67Å; L79-L82 WeakPolarHBondContact O-CB 3.46Å; L79-L82 PolarHBondContact O-N 2.86Å; L79-Q92 HydrophobicContact CD2-CB 3.55Å; L79-Q92 HydrophobicContact CD2-CG 4.43Å
80	G	76.2	Confident	84.5	Confident	71 Å²	71	83.5 Å²	83.5	73%	0.732	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.5	176.3	0	0	0	0	0	113.1	D78	D78-G80 PolarHBondContact O-N 3.45Å; D78-G80 WeakPolarHBondContact OD1-CA 3.32Å; D78-G80 PolarHBondContact OD1-N 3.41Å
81	K	77.7	Confident	84.5	Confident	159 Å²	159	77.9 Å²	77.9	69%	0.691	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-84.6	-11	172.8	-63.9	-172.7	173.1	87.2	0	113.5	D78 L79 Y83	D78-K81 HydrophobicContact CB-CD 4.27Å; D78-K81 HydrophobicContact CB-CG 4.2Å; D78-K81 WeakPolarHBondContact O-CB 3.37Å; D78-K81 PolarHBondContact O-N 2.91Å; D78-K81 VanDerWaalsContact O-N 3.12Å; D78-K81 IonicContact OD2-NZ 2.68Å; D78-K81 PolarHBondContact OD2-NZ 2.84Å; L79-K81 PolarHBondContact O-N 2.91Å; L79-K81 VanDerWaalsContact O-N 3.12Å; K81-Y83 VanDerWaalsContact C-N 3.32Å; K81-Y83 PolarHBondContact O-N 3.16Å; K81-Y83 VanDerWaalsContact O-N 3.08Å
82	L	74.8	Confident	84.6	Confident	30 Å²	30	72.5 Å²	72.5	16%	0.157	41%	0.41	C	S	.	.			trans	-84.1	78.3	176.8	-58.8	179.1	0	0	0	109.4	L64 L79 V90	L64-L82 HydrophobicContact CB-CD2 4.18Å; L64-L82 HydrophobicContact CD1-CD2 4.11Å; L64-L82 HydrophobicContact CG-CD2 4.5Å; L79-L82 HydrophobicContact CD2-CD1 3.67Å; L79-L82 WeakPolarHBondContact O-CB 3.46Å; L79-L82 PolarHBondContact O-N 2.86Å; L82-V90 HydrophobicContact CB-CB 3.85Å; L82-V90 HydrophobicContact CB-CG1 3.84Å; L82-V90 HydrophobicContact CB-CG2 4.3Å; L82-V90 HydrophobicContact CD1-CG1 3.89Å; L82-V90 WeakPolarHBondContact O-CG2 3.25Å
83	Y	73.9	Confident	84.7	Confident	167 Å²	167	70 Å²	70	66%	0.655	39%	0.393	S	S	*	.			trans	-95.7	125.4	174.7	-177.6	-106.3	0	0	0	111.4	K81 G85	K81-Y83 VanDerWaalsContact C-N 3.32Å; K81-Y83 PolarHBondContact O-N 3.16Å; K81-Y83 VanDerWaalsContact O-N 3.08Å; Y83-G85 VanDerWaalsContact CE1-CA 3.45Å; Y83-G85 VanDerWaalsContact CE1-N 3.33Å; Y83-G85 PolarHBondContact OH-O 2.85Å
84	V	75.7	Confident	84.8	Confident	10 Å²	10	66.7 Å²	66.7	6%	0.061	38%	0.377	C	S	.	.			trans	-125.5	69.5	172.8	-177.5	0	0	0	0	109.3	L60 L61 L64 K86 F87 V90	L60-V84 HydrophobicContact CD2-CG1 4.14Å; L60-V84 HydrophobicContact CD2-CG2 4.15Å; L60-V84 HydrophobicContact CG-CG2 4.18Å; L61-V84 HydrophobicContact CD2-CB 4.37Å; L61-V84 HydrophobicContact CD2-CG2 3.53Å; L61-V84 HydrophobicContact CG-CG2 4.22Å; L64-V84 HydrophobicContact CD1-CG2 4.07Å; V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 3.34Å; V84-F87 HydrophobicContact CB-CD2 3.97Å; V84-F87 HydrophobicContact CG1-CD2 3.69Å; V84-F87 HydrophobicContact CG1-CE2 3.92Å; V84-F87 WeakPolarHBondContact O-CD2 3.45Å; V84-F87 PolarHBondContact O-N 3.04Å; V84-F87 VanDerWaalsContact O-N 3.14Å; V84-V90 HydrophobicContact CG2-CG2 4.27Å
85	G	75.4	Confident	85.1	Confident	49 Å²	49	62.6 Å²	62.6	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-74.9	159.7	0	0	0	0	0	116.9	Y83	Y83-G85 VanDerWaalsContact CE1-CA 3.45Å; Y83-G85 VanDerWaalsContact CE1-N 3.33Å; Y83-G85 PolarHBondContact OH-O 2.85Å
86	K	83.6	Confident	85.4	Confident	156 Å²	156	60.8 Å²	60.8	68%	0.678	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-1	-172.5	67.3	175	-173	173.5	0	114.3	V84	V84-K86 VanDerWaalsContact C-N 3.29Å; V84-K86 PolarHBondContact O-N 3.34Å
87	F	85.2	Confident	86.2	Confident	22 Å²	22	61 Å²	61	10%	0.096	34%	0.343	C	S	.	.			trans	-109.4	132.9	-177.2	-59.3	-70.8	0	0	0	110.3	V84 S89 D138 A157	V84-F87 HydrophobicContact CB-CD2 3.97Å; V84-F87 HydrophobicContact CG1-CD2 3.69Å; V84-F87 HydrophobicContact CG1-CE2 3.92Å; V84-F87 WeakPolarHBondContact O-CD2 3.45Å; V84-F87 PolarHBondContact O-N 3.04Å; V84-F87 VanDerWaalsContact O-N 3.14Å; F87-S89 VanDerWaalsContact C-N 3.28Å; F87-S89 PolarHBondContact O-N 3.18Å; F87-D138 HydrophobicContact CE2-CB 4.25Å; F87-D138 HydrophobicContact CZ-CB 3.79Å; F87-D138 WeakPolarHBondContact CZ-OD2 3.13Å; F87-A157 HydrophobicContact CB-CB 3.91Å; F87-A157 HydrophobicContact CD1-CB 3.8Å; F87-A157 HydrophobicContact CD2-CB 3.45Å; F87-A157 VanDerWaalsContact CD2-CB 3.45Å; F87-A157 HydrophobicContact CE1-CB 4.1Å; F87-A157 HydrophobicContact CE2-CB 3.77Å; F87-A157 HydrophobicContact CG-CB 3.47Å; F87-A157 VanDerWaalsContact CG-CB 3.47Å; F87-A157 HydrophobicContact CZ-CB 4.07Å
88	D	82.4	Confident	87	Confident	170 Å²	170	63 Å²	63	91%	0.909	35%	0.346	S	S	*	.	S	Bend	trans	-72.7	-23.3	-176.9	-57.1	-39.2	0	0	0	112.7
89	S	92.1	Very high	87.8	Confident	52 Å²	52	60.3 Å²	60.3	36%	0.364	34%	0.335	S	S	.	.			trans	-146.5	155.4	179.1	68.6	0	0	0	0	111.8	F87 P158 G159	F87-S89 VanDerWaalsContact C-N 3.28Å; F87-S89 PolarHBondContact O-N 3.18Å; S89-P158 WeakPolarHBondContact O-CA 3.33Å; S89-G159 PolarHBondContact OG-N 3.01Å
90	V	94.4	Very high	88.5	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.079	32%	0.322	C	S	.	.			trans	-125.9	119.8	167.5	175.2	0	0	0	0	108.4	L61 L82 V84 N155 Y156 A157	L61-V90 HydrophobicContact CD2-CG1 3.96Å; L61-V90 HydrophobicContact CD2-CG2 4.08Å; L82-V90 HydrophobicContact CB-CB 3.85Å; L82-V90 HydrophobicContact CB-CG1 3.84Å; L82-V90 HydrophobicContact CB-CG2 4.3Å; L82-V90 HydrophobicContact CD1-CG1 3.89Å; L82-V90 WeakPolarHBondContact O-CG2 3.25Å; V84-V90 HydrophobicContact CG2-CG2 4.27Å; V90-N155 HydrophobicContact CG1-CB 3.93Å; V90-Y156 CarbonylContact C-O 3.57Å; V90-Y156 VanDerWaalsContact CA-O 3.25Å; V90-Y156 WeakPolarHBondContact CA-O 3.42Å; V90-A157 HydrophobicContact CG2-CB 4.49Å
91	G	95.4	Very high	89.5	Confident	9 Å²	9	57.9 Å²	57.9	9%	0.093	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	159.4	169.6	0	0	0	0	0	110.6	N155 Y156 G159	G91-N155 CarbonylContact O-C 3.52Å; G91-N155 WeakPolarHBondContact O-CA 2.97Å; G91-Y156 PolarHBondContact N-O 2.94Å; G91-Y156 PolarHBondContact O-N 3.43Å; G91-G159 VanDerWaalsContact N-CA 3.25Å
92	Q	96.5	Very high	90.5	Very high	23 Å²	23	53.2 Å²	53.2	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141	177.5	-171.7	175.3	95.2	0	0	111.3	H68 S76 L79 V94 V153 C154 N155	H68-Q92 PolarHBondContact CE1-OE1 3.47Å; H68-Q92 VanDerWaalsContact CE1-OE1 3.29Å; S76-Q92 PolarHBondContact O-OE1 3.47Å; L79-Q92 HydrophobicContact CD2-CB 3.55Å; L79-Q92 HydrophobicContact CD2-CG 4.43Å; Q92-V94 HydrophobicContact CG-CG2 3.75Å; Q92-V153 HydrophobicContact CG-CG1 3.86Å; Q92-C154 VanDerWaalsContact CA-O 3.27Å; Q92-C154 WeakPolarHBondContact CA-O 3.38Å; Q92-N155 WeakPolarHBondContact CG-OD1 3Å; Q92-N155 PolarHBondContact NE2-OD1 2.66Å
93	T	97.1	Very high	91.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.6	163.5	59.8	0	0	0	0	108.7	W107 N127 Q130 V153 C154 Y156	T93-W107 WeakPolarHBondContact OG1-CH2 3.43Å; T93-W107 WeakPolarHBondContact OG1-CZ2 3.35Å; T93-N127 WeakPolarHBondContact CB-OD1 3.48Å; T93-N127 HydrophobicContact CG2-CB 4.05Å; T93-N127 WeakPolarHBondContact CG2-OD1 3.45Å; T93-Q130 HydrophobicContact CG2-CB 4.16Å; T93-Q130 HydrophobicContact CG2-CG 4.1Å; T93-V153 WeakPolarHBondContact O-CA 3.15Å; T93-C154 PolarHBondContact N-O 3.35Å; T93-C154 PolarHBondContact O-N 3.36Å; T93-Y156 HydrophobicContact CG2-CE2 3.66Å; T93-Y156 WeakPolarHBondContact OG1-CE2 3.29Å; T93-Y156 PolarHBondContact OG1-OH 2.79Å
94	V	97	Very high	92.7	Very high	21 Å²	21	43.9 Å²	43.9	13%	0.127	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.7	179.6	-169.9	0	0	0	0	108.3	L74 Q92 V152 V153	L74-V94 HydrophobicContact CD1-CG1 4.11Å; Q92-V94 HydrophobicContact CG-CG2 3.75Å; V94-V152 WeakPolarHBondContact CA-O 3.4Å; V94-V153 HydrophobicContact CB-CG2 4.46Å; V94-V153 HydrophobicContact CG1-CG2 3.9Å; V94-V153 HydrophobicContact CG2-CG1 4.44Å; V94-V153 HydrophobicContact CG2-CG2 4.12Å
95	A	97	Very high	93.8	Very high	18 Å²	18	46.1 Å²	46.1	15%	0.149	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160	175.4	0	0	0	0	0	111.3	I103 W107 M151 V152	A95-I103 HydrophobicContact CB-CG1 4.46Å; A95-I103 HydrophobicContact CB-CG2 3.55Å; A95-W107 HydrophobicContact CB-CZ2 3.89Å; A95-M151 CarbonylContact O-C 3.59Å; A95-M151 WeakPolarHBondContact O-CA 3.44Å; A95-V152 PolarHBondContact N-O 3.08Å; A95-V152 VanDerWaalsContact N-O 3.12Å; A95-V152 PolarHBondContact O-N 3.09Å
96	E	97.1	Very high	94.9	Very high	57 Å²	57	46.9 Å²	46.9	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.2	170.5	61.6	165.9	-131.3	0	0	112.4	L74 R149 Y150 M151	L74-E96 HydrophobicContact CD1-CG 4.03Å; L74-E96 HydrophobicContact CD2-CG 4.02Å; E96-R149 PolarHBondContact O-NH2 2.98Å; E96-R149 WeakPolarHBondContact OE1-CD 3.49Å; E96-R149 IonicContact OE1-CZ 3.77Å; E96-R149 IonicContact OE1-NE 2.82Å; E96-R149 PolarHBondContact OE1-NE 3.18Å; E96-Y150 CarbonylContact C-O 3.46Å; E96-Y150 WeakPolarHBondContact CA-O 3.5Å; E96-Y150 VanDerWaalsContact CB-O 3.25Å; E96-Y150 WeakPolarHBondContact CB-O 3.42Å; E96-M151 HydrophobicContact CB-CB 4.36Å
97	H	97.5	Very high	95.6	Very high	54 Å²	54	39.5 Å²	39.5	25%	0.25	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	173.7	176.5	-150.6	-76.9	0	0	0	111.2	S99 N102 I103 R149 Y150	H97-S99 PolarHBondContact O-N 3.25Å; H97-N102 HydrophobicContact CB-CB 4Å; H97-N102 PolarHBondContact CE1-ND2 3.41Å; H97-N102 VanDerWaalsContact CG-CB 3.43Å; H97-N102 WeakPolarHBondContact ND1-CB 3.48Å; H97-N102 PolarHBondContact ND1-ND2 3.37Å; H97-I103 HydrophobicContact CB-CD1 4.26Å; H97-I103 HydrophobicContact CB-CG1 3.46Å; H97-I103 VanDerWaalsContact CB-CG1 3.46Å; H97-R149 CarbonylContact O-C 3.58Å; H97-R149 WeakPolarHBondContact O-CA 3.38Å; H97-Y150 PolarHBondContact N-O 3.01Å; H97-Y150 PolarHBondContact O-N 3.39Å
98	T	96.6	Very high	96.2	Very high	83 Å²	83	39.8 Å²	39.8	51%	0.509	22%	0.224	S	C	.	.	S	Bend	trans	-61.6	-21.6	172	55	0	0	0	0	113.9	Y150	T98-Y150 WeakPolarHBondContact O-CD2 3.47Å
99	S	96.3	Very high	97	Very high	35 Å²	35	37 Å²	37	25%	0.245	21%	0.205	C	C	.	.	S	Bend	trans	-144.5	156.4	176.6	88.9	0	0	0	0	110.1	H97 Q101 N102 I103	H97-S99 PolarHBondContact O-N 3.25Å; S99-Q101 VanDerWaalsContact C-N 3.3Å; S99-Q101 PolarHBondContact OG-N 2.04Å; S99-N102 VanDerWaalsContact OG-CG 3.3Å; S99-N102 PolarHBondContact OG-N 2.77Å; S99-N102 PolarHBondContact OG-OD1 3.48Å; S99-I103 PolarHBondContact O-N 2.75Å
100	I	96.9	Very high	97.3	Very high	15 Å²	15	35 Å²	35	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-35.2	174.5	-65.5	-178.7	0	0	0	111.1	T23 L26 I27 N102 I103 L104 Y150 V152	T23-I100 HydrophobicContact CG2-CD1 3.23Å; L26-I100 HydrophobicContact CD2-CB 4.47Å; L26-I100 HydrophobicContact CD2-CG2 3.99Å; I27-I100 HydrophobicContact CD1-CG2 4.17Å; I27-I100 HydrophobicContact CG1-CG2 3.9Å; I100-N102 VanDerWaalsContact C-N 3.35Å; I100-N102 PolarHBondContact O-N 3.13Å; I100-I103 WeakPolarHBondContact O-CB 3.35Å; I100-I103 PolarHBondContact O-N 3.36Å; I100-L104 HydrophobicContact CG2-CD1 4.25Å; I100-L104 HydrophobicContact CG2-CG 4.49Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 3Å; I100-Y150 HydrophobicContact CD1-CD1 4.01Å; I100-Y150 HydrophobicContact CG1-CD1 3.92Å; I100-Y150 HydrophobicContact CG1-CG 3.95Å; I100-V152 HydrophobicContact CG1-CG2 4.21Å; I100-V152 HydrophobicContact CG2-CG2 4.12Å
101	Q	96.8	Very high	97.4	Very high	71 Å²	71	35.7 Å²	35.7	33%	0.332	19%	0.192	S	C	.	.	H	α-helix	trans	-61.8	-43.8	178.8	-172.5	57.6	53.9	0	0	111.4	S99 I103 L104 D105	S99-Q101 VanDerWaalsContact C-N 3.3Å; S99-Q101 PolarHBondContact OG-N 2.04Å; Q101-I103 VanDerWaalsContact C-N 3.27Å; Q101-I103 PolarHBondContact O-N 3.02Å; Q101-L104 WeakPolarHBondContact O-CB 3.31Å; Q101-L104 PolarHBondContact O-N 3.35Å; Q101-L104 VanDerWaalsContact O-N 3.08Å; Q101-D105 PolarHBondContact NE2-OD1 3.44Å; Q101-D105 PolarHBondContact NE2-OD2 2.86Å; Q101-D105 VanDerWaalsContact O-CG 3.25Å; Q101-D105 PolarHBondContact O-N 3.07Å
102	N	98	Very high	97.6	Very high	60 Å²	60	40.8 Å²	40.8	32%	0.321	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-34.6	178.2	-70.2	37.9	0	0	0	112.3	H97 S99 I100 D105 T106	H97-N102 HydrophobicContact CB-CB 4Å; H97-N102 PolarHBondContact CE1-ND2 3.41Å; H97-N102 VanDerWaalsContact CG-CB 3.43Å; H97-N102 WeakPolarHBondContact ND1-CB 3.48Å; H97-N102 PolarHBondContact ND1-ND2 3.37Å; S99-N102 VanDerWaalsContact OG-CG 3.3Å; S99-N102 PolarHBondContact OG-N 2.77Å; S99-N102 PolarHBondContact OG-OD1 3.48Å; I100-N102 VanDerWaalsContact C-N 3.35Å; I100-N102 PolarHBondContact O-N 3.13Å; N102-D105 PolarHBondContact O-N 3.41Å; N102-T106 WeakPolarHBondContact O-CB 3.32Å; N102-T106 PolarHBondContact O-N 2.92Å; N102-T106 PolarHBondContact O-OG1 2.69Å
103	I	98.2	Very high	97.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-47.7	173.9	-65.4	167.6	0	0	0	110.5	A95 H97 S99 I100 Q101 D105 T106 W107 Y150 V152	A95-I103 HydrophobicContact CB-CG1 4.46Å; A95-I103 HydrophobicContact CB-CG2 3.55Å; H97-I103 HydrophobicContact CB-CD1 4.26Å; H97-I103 HydrophobicContact CB-CG1 3.46Å; H97-I103 VanDerWaalsContact CB-CG1 3.46Å; S99-I103 PolarHBondContact O-N 2.75Å; I100-I103 WeakPolarHBondContact O-CB 3.35Å; I100-I103 PolarHBondContact O-N 3.36Å; Q101-I103 VanDerWaalsContact C-N 3.27Å; Q101-I103 PolarHBondContact O-N 3.02Å; I103-D105 VanDerWaalsContact C-N 3.33Å; I103-T106 PolarHBondContact O-N 3.2Å; I103-W107 HydrophobicContact CG2-CD2 4.13Å; I103-W107 HydrophobicContact CG2-CE3 4.47Å; I103-W107 HydrophobicContact CG2-CH2 4.13Å; I103-W107 HydrophobicContact CG2-CZ2 3.73Å; I103-W107 HydrophobicContact CG2-CZ3 4.48Å; I103-W107 PolarHBondContact O-N 3.34Å; I103-W107 VanDerWaalsContact O-N 3.12Å; I103-Y150 WeakPolarHBondContact CD1-O 3.23Å; I103-V152 HydrophobicContact CD1-CB 4.12Å; I103-V152 HydrophobicContact CD1-CG2 3.63Å; I103-V152 HydrophobicContact CG2-CB 4.21Å; I103-V152 HydrophobicContact CG2-CG2 4.46Å
104	L	98.4	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-40.5	-179.1	-62.5	175.3	0	0	0	111.4	L26 I27 F30 I100 Q101 W107 L108	L26-L104 HydrophobicContact CG-CD1 4.23Å; I27-L104 HydrophobicContact CG1-CD1 4.36Å; I27-L104 HydrophobicContact CG1-CD2 4.35Å; I27-L104 HydrophobicContact CG2-CD2 4.19Å; F30-L104 HydrophobicContact CB-CD1 3.94Å; F30-L104 HydrophobicContact CD1-CB 3.95Å; F30-L104 HydrophobicContact CD1-CD1 4.34Å; F30-L104 HydrophobicContact CD1-CD2 3.93Å; F30-L104 HydrophobicContact CD1-CG 4.28Å; F30-L104 HydrophobicContact CD2-CB 3.99Å; F30-L104 HydrophobicContact CD2-CD1 4.15Å; F30-L104 HydrophobicContact CE1-CB 3.78Å; F30-L104 HydrophobicContact CE1-CD2 4.34Å; F30-L104 WeakPolarHBondContact CE1-O 3.28Å; F30-L104 HydrophobicContact CE2-CB 3.82Å; F30-L104 HydrophobicContact CG-CB 4.04Å; F30-L104 HydrophobicContact CG-CD1 3.89Å; F30-L104 HydrophobicContact CG-CD2 4.32Å; F30-L104 HydrophobicContact CG-CG 4.31Å; F30-L104 HydrophobicContact CZ-CB 3.71Å; F30-L104 WeakPolarHBondContact CZ-O 3.07Å; I100-L104 HydrophobicContact CG2-CD1 4.25Å; I100-L104 HydrophobicContact CG2-CG 4.49Å; I100-L104 WeakPolarHBondContact O-CG 3.4Å; I100-L104 PolarHBondContact O-N 3Å; Q101-L104 WeakPolarHBondContact O-CB 3.31Å; Q101-L104 PolarHBondContact O-N 3.35Å; Q101-L104 VanDerWaalsContact O-N 3.08Å; L104-W107 HydrophobicContact CD2-CE3 4.03Å; L104-W107 HydrophobicContact CD2-CZ3 4.01Å; L104-W107 PolarHBondContact O-N 2.96Å; L104-L108 PolarHBondContact O-N 3Å; L104-L108 VanDerWaalsContact O-N 3.14Å
105	D	98.1	Very high	97.7	Very high	57 Å²	57	43.4 Å²	43.4	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-44.7	177.8	-64.4	-22.9	0	0	0	111.1	Q101 N102 I103 W107 L108 E109	Q101-D105 PolarHBondContact NE2-OD1 3.44Å; Q101-D105 PolarHBondContact NE2-OD2 2.86Å; Q101-D105 VanDerWaalsContact O-CG 3.25Å; Q101-D105 PolarHBondContact O-N 3.07Å; N102-D105 PolarHBondContact O-N 3.41Å; I103-D105 VanDerWaalsContact C-N 3.33Å; D105-W107 PolarHBondContact O-N 3.31Å; D105-L108 CarbonylContact O-C 3.58Å; D105-L108 WeakPolarHBondContact O-CA 3.46Å; D105-L108 WeakPolarHBondContact O-CB 3.11Å; D105-L108 PolarHBondContact O-N 2.9Å; D105-E109 WeakPolarHBondContact O-CB 3.29Å; D105-E109 VanDerWaalsContact O-CG 3.31Å; D105-E109 WeakPolarHBondContact O-CG 3.43Å; D105-E109 PolarHBondContact O-N 2.91Å
106	T	97.8	Very high	97.7	Very high	65 Å²	65	42.8 Å²	42.8	40%	0.399	23%	0.225	S	C	.	.	H	α-helix	trans	-58.4	-44.5	175.5	-62.5	0	0	0	0	112	N102 I103 L108 E109 E110	N102-T106 WeakPolarHBondContact O-CB 3.32Å; N102-T106 PolarHBondContact O-N 2.92Å; N102-T106 PolarHBondContact O-OG1 2.69Å; I103-T106 PolarHBondContact O-N 3.2Å; T106-L108 PolarHBondContact O-N 2.84Å; T106-E109 PolarHBondContact O-N 3.41Å; T106-E110 PolarHBondContact O-N 3.04Å
107	W	98.3	Very high	97.7	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-30.8	175.1	-68.1	-15.1	0	0	0	113.4	T93 A95 I103 L104 D105 N127 Y128 L131 V152 C154	T93-W107 WeakPolarHBondContact OG1-CH2 3.43Å; T93-W107 WeakPolarHBondContact OG1-CZ2 3.35Å; A95-W107 HydrophobicContact CB-CZ2 3.89Å; I103-W107 HydrophobicContact CG2-CD2 4.13Å; I103-W107 HydrophobicContact CG2-CE3 4.47Å; I103-W107 HydrophobicContact CG2-CH2 4.13Å; I103-W107 HydrophobicContact CG2-CZ2 3.73Å; I103-W107 HydrophobicContact CG2-CZ3 4.48Å; I103-W107 PolarHBondContact O-N 3.34Å; I103-W107 VanDerWaalsContact O-N 3.12Å; L104-W107 HydrophobicContact CD2-CE3 4.03Å; L104-W107 HydrophobicContact CD2-CZ3 4.01Å; L104-W107 PolarHBondContact O-N 2.96Å; D105-W107 PolarHBondContact O-N 3.31Å; W107-N127 HydrophobicContact CB-CB 3.84Å; W107-N127 VanDerWaalsContact CD1-CB 3.43Å; W107-N127 HydrophobicContact CD2-CB 4.38Å; W107-N127 HydrophobicContact CG-CB 3.64Å; W107-Y128 WeakPolarHBondContact O-CA 3.36Å; W107-Y128 WeakPolarHBondContact O-CB 3.43Å; W107-Y128 PolarHBondContact O-N 3.47Å; W107-L131 HydrophobicContact CB-CD1 4.16Å; W107-L131 HydrophobicContact CB-CD2 4.16Å; W107-L131 HydrophobicContact CE3-CD1 4.1Å; W107-V152 HydrophobicContact CH2-CB 4.28Å; W107-V152 HydrophobicContact CH2-CG1 3.78Å; W107-V152 HydrophobicContact CZ3-CG1 4.37Å; W107-C154 HydrophobicContact CH2-CB 4.43Å
108	L	98.5	Very high	97.6	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-79.5	-35.5	176.6	178.8	62.9	0	0	0	112.2	F30 I34 L43 L104 D105 T106 E110 K111 Y128	F30-L108 HydrophobicContact CZ-CB 3.96Å; F30-L108 HydrophobicContact CZ-CD2 4.11Å; I34-L108 HydrophobicContact CD1-CD1 3.82Å; I34-L108 HydrophobicContact CD1-CD2 3.58Å; I34-L108 HydrophobicContact CD1-CG 4.33Å; I34-L108 HydrophobicContact CG1-CD1 4.06Å; I34-L108 HydrophobicContact CG1-CD2 4.4Å; I34-L108 HydrophobicContact CG2-CD1 3.78Å; L43-L108 HydrophobicContact CD1-CD1 4.14Å; L43-L108 HydrophobicContact CD2-CD1 4.41Å; L104-L108 PolarHBondContact O-N 3Å; L104-L108 VanDerWaalsContact O-N 3.14Å; D105-L108 CarbonylContact O-C 3.58Å; D105-L108 WeakPolarHBondContact O-CA 3.46Å; D105-L108 WeakPolarHBondContact O-CB 3.11Å; D105-L108 PolarHBondContact O-N 2.9Å; T106-L108 PolarHBondContact O-N 2.84Å; L108-E110 PolarHBondContact O-N 2.83Å; L108-K111 HydrophobicContact CD1-CD 4.1Å; L108-K111 HydrophobicContact CG-CD 4.38Å; L108-K111 VanDerWaalsContact O-CB 3.26Å; L108-K111 WeakPolarHBondContact O-CB 3.34Å; L108-K111 WeakPolarHBondContact O-CD 3.39Å; L108-K111 WeakPolarHBondContact O-CG 3.34Å; L108-K111 PolarHBondContact O-N 3.11Å; L108-K111 VanDerWaalsContact O-N 3.12Å; L108-Y128 HydrophobicContact CD1-CD2 4.45Å; L108-Y128 HydrophobicContact CD1-CE2 4.49Å
109	E	98.2	Very high	97.7	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-28.6	-178.2	-78.7	173.5	166.8	0	0	112.8	D105 T106 K111 N112	D105-E109 WeakPolarHBondContact O-CB 3.29Å; D105-E109 VanDerWaalsContact O-CG 3.31Å; D105-E109 WeakPolarHBondContact O-CG 3.43Å; D105-E109 PolarHBondContact O-N 2.91Å; T106-E109 PolarHBondContact O-N 3.41Å; E109-K111 PolarHBondContact O-N 3.04Å; E109-N112 WeakPolarHBondContact O-CB 3.04Å; E109-N112 VanDerWaalsContact O-CG 3.3Å; E109-N112 PolarHBondContact O-N 3.09Å; E109-N112 PolarHBondContact O-ND2 2.9Å
110	E	98.5	Very high	97.7	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.051	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-51.8	-20.4	169.7	-74.1	-173.5	-166.3	0	0	114	T106 L108 N112 D113 E124 C125 G126 N127 Y128	T106-E110 PolarHBondContact O-N 3.04Å; L108-E110 PolarHBondContact O-N 2.83Å; E110-N112 PolarHBondContact O-N 3.14Å; E110-N112 VanDerWaalsContact O-N 3.14Å; E110-D113 PolarHBondContact O-N 2.81Å; E110-D113 VanDerWaalsContact O-N 3.09Å; E110-E124 VanDerWaalsContact CB-O 3.29Å; E110-E124 WeakPolarHBondContact CB-O 3.34Å; E110-E124 HydrophobicContact CG-CB 4.48Å; E110-E124 WeakPolarHBondContact CG-O 3.42Å; E110-C125 VanDerWaalsContact OE2-CA 3.28Å; E110-C125 WeakPolarHBondContact OE2-CA 3.35Å; E110-G126 PolarHBondContact OE2-N 3.48Å; E110-N127 WeakPolarHBondContact OE1-CB 3.38Å; E110-N127 PolarHBondContact OE1-ND2 3.39Å; E110-N127 WeakPolarHBondContact OE2-CA 3.26Å; E110-N127 VanDerWaalsContact OE2-CB 3.32Å; E110-N127 WeakPolarHBondContact OE2-CB 3.39Å; E110-N127 PolarHBondContact OE2-N 2.96Å; E110-Y128 PolarHBondContact OE2-N 3.42Å
111	K	98.2	Very high	97.8	Very high	28 Å²	28	50.4 Å²	50.4	12%	0.122	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23.3	171.8	78.7	-174.8	176.3	147.6	0	113.2	L43 S44 Q46 L108 E109 D113 Y128	L43-K111 HydrophobicContact CD1-CD 4.37Å; L43-K111 HydrophobicContact CD2-CD 4.16Å; L43-K111 HydrophobicContact CG-CD 4.29Å; S44-K111 PolarHBondContact O-NZ 3.19Å; Q46-K111 HydrophobicContact CG-CB 4.19Å; Q46-K111 HydrophobicContact CG-CD 4.45Å; Q46-K111 PolarHBondContact NE2-O 2.97Å; L108-K111 HydrophobicContact CD1-CD 4.1Å; L108-K111 HydrophobicContact CG-CD 4.38Å; L108-K111 VanDerWaalsContact O-CB 3.26Å; L108-K111 WeakPolarHBondContact O-CB 3.34Å; L108-K111 WeakPolarHBondContact O-CD 3.39Å; L108-K111 WeakPolarHBondContact O-CG 3.34Å; L108-K111 PolarHBondContact O-N 3.11Å; L108-K111 VanDerWaalsContact O-N 3.12Å; E109-K111 PolarHBondContact O-N 3.04Å; K111-D113 VanDerWaalsContact C-N 3.25Å; K111-Y128 HydrophobicContact CB-CD1 3.86Å; K111-Y128 HydrophobicContact CB-CD2 3.58Å; K111-Y128 HydrophobicContact CB-CE1 3.77Å; K111-Y128 HydrophobicContact CB-CE2 3.5Å; K111-Y128 VanDerWaalsContact CB-CE2 3.5Å; K111-Y128 HydrophobicContact CB-CG 3.77Å
112	N	98	Very high	97.8	Very high	115 Å²	115	54.4 Å²	54.4	62%	0.615	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-75	-21.5	-179.2	-60.6	-39.5	0	0	0	111.3	E109 E110	E109-N112 WeakPolarHBondContact O-CB 3.04Å; E109-N112 VanDerWaalsContact O-CG 3.3Å; E109-N112 PolarHBondContact O-N 3.09Å; E109-N112 PolarHBondContact O-ND2 2.9Å; E110-N112 PolarHBondContact O-N 3.14Å; E110-N112 VanDerWaalsContact O-N 3.14Å
113	D	98	Very high	97.8	Very high	41 Å²	41	57.3 Å²	57.3	22%	0.219	30%	0.297	C	S	.	.	S	Bend	trans	-95.3	-4.1	178.5	-59.3	-71.8	0	0	0	112.7	E110 K111 C121 E122 N123 C125	E110-D113 PolarHBondContact O-N 2.81Å; E110-D113 VanDerWaalsContact O-N 3.09Å; K111-D113 VanDerWaalsContact C-N 3.25Å; D113-C121 CarbonylContact O-C 3.49Å; D113-C121 WeakPolarHBondContact O-CA 3.22Å; D113-E122 HydrophobicContact CB-CB 4.42Å; D113-E122 PolarHBondContact O-N 2.97Å; D113-N123 HydrophobicContact CB-CB 4.24Å; D113-N123 PolarHBondContact OD1-ND2 3.18Å; D113-C125 PolarHBondContact O-SG 3.22Å
114	Y	98.3	Very high	97.6	Very high	12 Å²	12	63.9 Å²	63.9	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.7	-174.2	-173.6	-106.5	0	0	0	113.2	Q46 L116 N119 T120 C125 Y128 K129 P165	Q46-Y114 PolarHBondContact NE2-O 2.96Å; Y114-L116 HydrophobicContact CE1-CB 4.11Å; Y114-L116 HydrophobicContact CE1-CD1 3.8Å; Y114-N119 PolarHBondContact OH-OD1 3.29Å; Y114-T120 WeakPolarHBondContact CD2-O 3.48Å; Y114-C125 HydrophobicContact CD2-CB 3.97Å; Y114-C125 HydrophobicContact CG-CB 4.34Å; Y114-Y128 HydrophobicContact CD1-CD1 4.23Å; Y114-Y128 AromaticContact CD1-CE1 3.89Å; Y114-Y128 HydrophobicContact CD1-CE1 3.89Å; Y114-Y128 HydrophobicContact CG-CD1 4.37Å; Y114-Y128 HydrophobicContact CG-CE1 4.45Å; Y114-K129 HydrophobicContact CD2-CD 4.28Å; Y114-K129 HydrophobicContact CD2-CG 4.23Å; Y114-K129 HydrophobicContact CE2-CD 3.82Å; Y114-K129 HydrophobicContact CE2-CG 4.04Å; Y114-P165 HydrophobicContact CE1-CG 3.96Å; Y114-P165 WeakPolarHBondContact OH-CD 3.5Å
115	D	97.5	Very high	97.6	Very high	48 Å²	48	64 Å²	64	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.7	172.5	-175.7	-32.5	0	0	0	110	D117 K118 N119 T120	D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 3.37Å; D115-D117 PolarHBondContact OD1-N 2.82Å; D115-K118 HydrophobicContact CB-CB 4.29Å; D115-K118 PolarHBondContact OD1-N 3.14Å; D115-K118 WeakPolarHBondContact OD2-CG 3.16Å; D115-K118 IonicContact OD2-NZ 2.71Å; D115-K118 PolarHBondContact OD2-NZ 3.46Å; D115-N119 WeakPolarHBondContact O-CA 3.23Å; D115-N119 PolarHBondContact O-N 2.79Å; D115-T120 PolarHBondContact N-O 3.12Å; D115-T120 PolarHBondContact O-N 2.88Å
116	L	97.3	Very high	97.6	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-37.2	-180	-173.6	74.6	0	0	0	112.6	P47 Y114 R164 P165 Y166 K168	P47-L116 HydrophobicContact CB-CD2 3.78Å; P47-L116 HydrophobicContact CG-CB 4.21Å; P47-L116 HydrophobicContact CG-CD2 3.66Å; Y114-L116 HydrophobicContact CE1-CB 4.11Å; Y114-L116 HydrophobicContact CE1-CD1 3.8Å; L116-R164 HydrophobicContact CD1-CB 4.28Å; L116-R164 VanDerWaalsContact O-CD 3.28Å; L116-R164 WeakPolarHBondContact O-CD 3.49Å; L116-R164 PolarHBondContact O-NE 3.33Å; L116-P165 HydrophobicContact CD1-CG 4.05Å; L116-Y166 HydrophobicContact CD1-CD2 4.46Å; L116-Y166 HydrophobicContact CD1-CE1 4.27Å; L116-Y166 HydrophobicContact CD1-CE2 4.18Å; L116-Y166 HydrophobicContact CD2-CD2 4.07Å; L116-Y166 HydrophobicContact CD2-CE2 3.36Å; L116-Y166 HydrophobicContact CG-CE2 4.43Å; L116-K168 HydrophobicContact CD2-CB 4.27Å
117	D	95.7	Very high	97.6	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-39.4	-175.1	-76.6	-23.3	0	0	0	110.7	D115 R164 K168	D115-D117 VanDerWaalsContact C-N 3.33Å; D115-D117 PolarHBondContact O-N 3.37Å; D115-D117 PolarHBondContact OD1-N 2.82Å; D117-R164 PolarHBondContact O-NH2 3.01Å; D117-K168 IonicContact OD1-NZ 2.66Å; D117-K168 PolarHBondContact OD1-NZ 2.87Å; D117-K168 IonicContact OD2-NZ 3.31Å; D117-K168 PolarHBondContact OD2-NZ 2.71Å
118	K	96.8	Very high	97.6	Very high	144 Å²	144	62 Å²	62	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.1	176.7	-59.9	-167.3	-163.4	96.5	0	114.3	D115 T120	D115-K118 HydrophobicContact CB-CB 4.29Å; D115-K118 PolarHBondContact OD1-N 3.14Å; D115-K118 WeakPolarHBondContact OD2-CG 3.16Å; D115-K118 IonicContact OD2-NZ 2.71Å; D115-K118 PolarHBondContact OD2-NZ 3.46Å; K118-T120 VanDerWaalsContact C-N 3.29Å; K118-T120 HydrophobicContact CB-CG2 3.95Å; K118-T120 WeakPolarHBondContact CB-OG1 3.45Å
119	N	97.4	Very high	97.6	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.5	-168	-166.3	39.7	0	0	0	111.7	Y114 D115 D162 R164	Y114-N119 PolarHBondContact OH-OD1 3.29Å; D115-N119 WeakPolarHBondContact O-CA 3.23Å; D115-N119 PolarHBondContact O-N 2.79Å; N119-D162 PolarHBondContact ND2-O 2.97Å; N119-R164 HydrophobicContact CB-CG 3.85Å
120	T	98	Very high	97.6	Very high	66 Å²	66	57 Å²	57	41%	0.405	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.1	-179	53.3	0	0	0	0	110.8	Y114 D115 K118	Y114-T120 WeakPolarHBondContact CD2-O 3.48Å; D115-T120 PolarHBondContact N-O 3.12Å; D115-T120 PolarHBondContact O-N 2.88Å; K118-T120 VanDerWaalsContact C-N 3.29Å; K118-T120 HydrophobicContact CB-CG2 3.95Å; K118-T120 WeakPolarHBondContact CB-OG1 3.45Å
121	C	98	Very high	97.6	Very high	56 Å²	56	56.5 Å²	56.5	38%	0.378	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	175.8	-177.5	0	0	0	0	109.1	D113 N123 E124 C125	D113-C121 CarbonylContact O-C 3.49Å; D113-C121 WeakPolarHBondContact O-CA 3.22Å; C121-N123 PolarHBondContact SG-O 3.43Å; C121-E124 VanDerWaalsContact SG-C 3.53Å; C121-C125 VanDerWaalsContact CA-SG 3.53Å; C121-C125 HydrophobicContact CB-CB 3.79Å; C121-C125 WeakPolarHBondContact CB-SG 3.49Å; C121-C125 WeakPolarHBondContact SG-CB 3.24Å; C121-C125 PolarHBondContact SG-N 3.43Å; C121-C125 CovalentContact SG-SG 2.02Å; C121-C125 PolarHBondContact SG-SG 2.85Å
122	E	97.5	Very high	97.6	Very high	156 Å²	156	55.1 Å²	55.1	73%	0.729	30%	0.295	S	S	*	.	S	Bend	trans	-78.5	-33.2	179.5	-64.5	-171.2	173.1	0	0	112.3	D113	D113-E122 HydrophobicContact CB-CB 4.42Å; D113-E122 PolarHBondContact O-N 2.97Å
123	N	96.4	Very high	97.6	Very high	121 Å²	121	50 Å²	50	65%	0.647	27%	0.267	S	S	*	.	S	Bend	trans	-134	-112.8	-179.7	-66.1	-58.8	0	0	0	111.1	D113 C121	D113-N123 HydrophobicContact CB-CB 4.24Å; D113-N123 PolarHBondContact OD1-ND2 3.18Å; C121-N123 PolarHBondContact SG-O 3.43Å
124	E	95.8	Very high	97.6	Very high	139 Å²	139	49.4 Å²	49.4	65%	0.65	27%	0.268	S	S	*	.			trans	-102.9	127	175.2	-64.5	-174.7	177.8	0	0	109.3	E110 C121	E110-E124 VanDerWaalsContact CB-O 3.29Å; E110-E124 WeakPolarHBondContact CB-O 3.34Å; E110-E124 HydrophobicContact CG-CB 4.48Å; E110-E124 WeakPolarHBondContact CG-O 3.42Å; C121-E124 VanDerWaalsContact SG-C 3.53Å
125	C	97.8	Very high	97.5	Very high	4 Å²	4	54 Å²	54	3%	0.027	29%	0.293	C	S	.	.			trans	-134.1	0.1	178.4	-49.9	0	0	0	0	113.1	E110 D113 Y114 C121 N127 Y128 K129	E110-C125 VanDerWaalsContact OE2-CA 3.28Å; E110-C125 WeakPolarHBondContact OE2-CA 3.35Å; D113-C125 PolarHBondContact O-SG 3.22Å; Y114-C125 HydrophobicContact CD2-CB 3.97Å; Y114-C125 HydrophobicContact CG-CB 4.34Å; C121-C125 VanDerWaalsContact CA-SG 3.53Å; C121-C125 HydrophobicContact CB-CB 3.79Å; C121-C125 WeakPolarHBondContact CB-SG 3.49Å; C121-C125 WeakPolarHBondContact SG-CB 3.24Å; C121-C125 PolarHBondContact SG-N 3.43Å; C121-C125 CovalentContact SG-SG 2.02Å; C121-C125 PolarHBondContact SG-SG 2.85Å; C125-N127 PolarHBondContact O-N 3.12Å; C125-Y128 PolarHBondContact O-N 3.34Å; C125-K129 HydrophobicContact CB-CG 4.46Å; C125-K129 WeakPolarHBondContact O-CB 3.32Å; C125-K129 VanDerWaalsContact O-CG 3.31Å; C125-K129 WeakPolarHBondContact O-CG 3.31Å; C125-K129 PolarHBondContact O-N 2.84Å
126	G	97.1	Very high	97.6	Very high	51 Å²	51	51.8 Å²	51.8	53%	0.526	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-40.3	-171.1	0	0	0	0	0	112.4	E110 Q130	E110-G126 PolarHBondContact OE2-N 3.48Å; G126-Q130 WeakPolarHBondContact O-CB 3.45Å; G126-Q130 PolarHBondContact O-N 3.46Å; G126-Q130 VanDerWaalsContact O-N 3.08Å
127	N	97.8	Very high	97.6	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-47.7	178.6	-58.6	-59.5	0	0	0	109.6	T93 W107 E110 C125 K129 Q130 L131	T93-N127 WeakPolarHBondContact CB-OD1 3.48Å; T93-N127 HydrophobicContact CG2-CB 4.05Å; T93-N127 WeakPolarHBondContact CG2-OD1 3.45Å; W107-N127 HydrophobicContact CB-CB 3.84Å; W107-N127 VanDerWaalsContact CD1-CB 3.43Å; W107-N127 HydrophobicContact CD2-CB 4.38Å; W107-N127 HydrophobicContact CG-CB 3.64Å; E110-N127 WeakPolarHBondContact OE1-CB 3.38Å; E110-N127 PolarHBondContact OE1-ND2 3.39Å; E110-N127 WeakPolarHBondContact OE2-CA 3.26Å; E110-N127 VanDerWaalsContact OE2-CB 3.32Å; E110-N127 WeakPolarHBondContact OE2-CB 3.39Å; E110-N127 PolarHBondContact OE2-N 2.96Å; C125-N127 PolarHBondContact O-N 3.12Å; N127-K129 PolarHBondContact O-N 3.22Å; N127-Q130 PolarHBondContact O-N 3.27Å; N127-Q130 VanDerWaalsContact O-N 3.16Å; N127-L131 WeakPolarHBondContact O-CD1 3.1Å; N127-L131 PolarHBondContact O-N 3.17Å
128	Y	98.5	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-49.3	177.2	171.9	-110.9	0	0	0	112.3	L43 Q46 W107 L108 E110 K111 Y114 C125 Q130 L131 V132	L43-Y128 HydrophobicContact CD2-CE2 4Å; Q46-Y128 VanDerWaalsContact CG-OH 3.23Å; Q46-Y128 WeakPolarHBondContact CG-OH 3.15Å; Q46-Y128 PolarHBondContact OE1-OH 3.47Å; W107-Y128 WeakPolarHBondContact O-CA 3.36Å; W107-Y128 WeakPolarHBondContact O-CB 3.43Å; W107-Y128 PolarHBondContact O-N 3.47Å; L108-Y128 HydrophobicContact CD1-CD2 4.45Å; L108-Y128 HydrophobicContact CD1-CE2 4.49Å; E110-Y128 PolarHBondContact OE2-N 3.42Å; K111-Y128 HydrophobicContact CB-CD1 3.86Å; K111-Y128 HydrophobicContact CB-CD2 3.58Å; K111-Y128 HydrophobicContact CB-CE1 3.77Å; K111-Y128 HydrophobicContact CB-CE2 3.5Å; K111-Y128 VanDerWaalsContact CB-CE2 3.5Å; K111-Y128 HydrophobicContact CB-CG 3.77Å; Y114-Y128 HydrophobicContact CD1-CD1 4.23Å; Y114-Y128 AromaticContact CD1-CE1 3.89Å; Y114-Y128 HydrophobicContact CD1-CE1 3.89Å; Y114-Y128 HydrophobicContact CG-CD1 4.37Å; Y114-Y128 HydrophobicContact CG-CE1 4.45Å; C125-Y128 PolarHBondContact O-N 3.34Å; Y128-Q130 PolarHBondContact O-N 2.76Å; Y128-L131 WeakPolarHBondContact O-CB 3.31Å; Y128-L131 PolarHBondContact O-N 3.41Å; Y128-L131 VanDerWaalsContact O-N 3.09Å; Y128-V132 HydrophobicContact CD2-CG1 4.28Å; Y128-V132 HydrophobicContact CE1-CG2 4.02Å; Y128-V132 HydrophobicContact CE2-CG1 3.63Å; Y128-V132 HydrophobicContact CE2-CG2 4.04Å; Y128-V132 WeakPolarHBondContact O-CG2 3.41Å; Y128-V132 PolarHBondContact O-N 2.87Å; Y128-V132 VanDerWaalsContact O-N 3.12Å
129	K	98.4	Very high	97.7	Very high	23 Å²	23	43.8 Å²	43.8	10%	0.1	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-41.7	176.6	-75.9	-174.2	79.3	-167.5	0	111	Y114 C125 N127 V132 W133 D161 D162 E163 P165	Y114-K129 HydrophobicContact CD2-CD 4.28Å; Y114-K129 HydrophobicContact CD2-CG 4.23Å; Y114-K129 HydrophobicContact CE2-CD 3.82Å; Y114-K129 HydrophobicContact CE2-CG 4.04Å; C125-K129 HydrophobicContact CB-CG 4.46Å; C125-K129 WeakPolarHBondContact O-CB 3.32Å; C125-K129 VanDerWaalsContact O-CG 3.31Å; C125-K129 WeakPolarHBondContact O-CG 3.31Å; C125-K129 PolarHBondContact O-N 2.84Å; N127-K129 PolarHBondContact O-N 3.22Å; K129-V132 CarbonylContact O-C 3.54Å; K129-V132 PolarHBondContact O-N 3.17Å; K129-W133 WeakPolarHBondContact O-CA 3.49Å; K129-W133 WeakPolarHBondContact O-CB 3.36Å; K129-W133 PolarHBondContact O-N 2.76Å; K129-D161 PolarHBondContact NZ-O 2.83Å; K129-D162 VanDerWaalsContact NZ-C 3.33Å; K129-D162 PolarHBondContact NZ-O 3.45Å; K129-E163 WeakPolarHBondContact CE-O 3.48Å; K129-E163 PolarHBondContact NZ-O 3.36Å; K129-P165 HydrophobicContact CB-CB 4.46Å; K129-P165 HydrophobicContact CG-CG 4.43Å
130	Q	98.3	Very high	97.7	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-39.2	178	-176.4	59.7	93.1	0	0	113	T93 G126 N127 Y128 V132 W133 T136 Y156 A160	T93-Q130 HydrophobicContact CG2-CB 4.16Å; T93-Q130 HydrophobicContact CG2-CG 4.1Å; G126-Q130 WeakPolarHBondContact O-CB 3.45Å; G126-Q130 PolarHBondContact O-N 3.46Å; G126-Q130 VanDerWaalsContact O-N 3.08Å; N127-Q130 PolarHBondContact O-N 3.27Å; N127-Q130 VanDerWaalsContact O-N 3.16Å; Y128-Q130 PolarHBondContact O-N 2.76Å; Q130-V132 VanDerWaalsContact C-N 3.26Å; Q130-V132 PolarHBondContact O-N 3.17Å; Q130-W133 PolarHBondContact O-N 3.25Å; Q130-T136 PolarHBondContact NE2-OG1 2.82Å; Q130-Y156 VanDerWaalsContact CD-CG 3.44Å; Q130-Y156 HydrophobicContact CG-CD1 3.84Å; Q130-Y156 HydrophobicContact CG-CD2 3.34Å; Q130-Y156 HydrophobicContact CG-CE1 3.99Å; Q130-Y156 HydrophobicContact CG-CE2 3.54Å; Q130-Y156 HydrophobicContact CG-CG 3.51Å; Q130-A160 HydrophobicContact CB-CB 4.26Å
131	L	98.4	Very high	97.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-42.9	174.9	-94.6	62.9	0	0	0	111.2	F30 R35 W107 N127 Y128	F30-L131 HydrophobicContact CE1-CD2 3.88Å; R35-L131 WeakPolarHBondContact CG-O 3.34Å; R35-L131 PolarHBondContact NH1-O 3.31Å; W107-L131 HydrophobicContact CB-CD1 4.16Å; W107-L131 HydrophobicContact CB-CD2 4.16Å; W107-L131 HydrophobicContact CE3-CD1 4.1Å; N127-L131 WeakPolarHBondContact O-CD1 3.1Å; N127-L131 PolarHBondContact O-N 3.17Å; Y128-L131 WeakPolarHBondContact O-CB 3.31Å; Y128-L131 PolarHBondContact O-N 3.41Å; Y128-L131 VanDerWaalsContact O-N 3.09Å
132	V	98.6	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	18.3	-174.9	-53.3	0	0	0	0	113.6	I34 V38 M52 Y128 K129 Q130 A134 P165 Y166	I34-V132 HydrophobicContact CG2-CG1 3.88Å; V38-V132 HydrophobicContact CG2-CG1 3.91Å; M52-V132 HydrophobicContact CE-CB 4.48Å; M52-V132 WeakPolarHBondContact CE-O 3.06Å; Y128-V132 HydrophobicContact CD2-CG1 4.28Å; Y128-V132 HydrophobicContact CE1-CG2 4.02Å; Y128-V132 HydrophobicContact CE2-CG1 3.63Å; Y128-V132 HydrophobicContact CE2-CG2 4.04Å; Y128-V132 WeakPolarHBondContact O-CG2 3.41Å; Y128-V132 PolarHBondContact O-N 2.87Å; Y128-V132 VanDerWaalsContact O-N 3.12Å; K129-V132 CarbonylContact O-C 3.54Å; K129-V132 PolarHBondContact O-N 3.17Å; Q130-V132 VanDerWaalsContact C-N 3.26Å; Q130-V132 PolarHBondContact O-N 3.17Å; V132-A134 PolarHBondContact O-N 3.44Å; V132-P165 HydrophobicContact CG2-CB 3.78Å; V132-P165 HydrophobicContact CG2-CG 3.84Å; V132-Y166 HydrophobicContact CB-CD1 4.17Å; V132-Y166 HydrophobicContact CB-CE1 4.13Å; V132-Y166 HydrophobicContact CG2-CD1 3.92Å; V132-Y166 HydrophobicContact CG2-CE1 3.73Å
133	W	98.4	Very high	97.6	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.027	19%	0.186	C	C	.	.			trans	-69.7	111.2	178.7	-161.9	-112.1	0	0	0	111.5	R35 K129 Q130 N135 T136 G159 A160 D161 E163 P165	R35-W133 PolarHBondContact NH1-O 2.78Å; R35-W133 PolarHBondContact NH2-O 3.32Å; K129-W133 WeakPolarHBondContact O-CA 3.49Å; K129-W133 WeakPolarHBondContact O-CB 3.36Å; K129-W133 PolarHBondContact O-N 2.76Å; Q130-W133 PolarHBondContact O-N 3.25Å; W133-N135 PolarHBondContact O-N 2.85Å; W133-T136 WeakPolarHBondContact CB-OG1 3.41Å; W133-T136 VanDerWaalsContact CD1-OG1 3.29Å; W133-T136 PolarHBondContact O-N 2.71Å; W133-G159 PolarHBondContact NE1-O 2.66Å; W133-A160 HydrophobicContact CB-CB 4.2Å; W133-A160 HydrophobicContact CD2-CB 3.49Å; W133-A160 VanDerWaalsContact CD2-CB 3.49Å; W133-A160 HydrophobicContact CE3-CB 3.42Å; W133-A160 VanDerWaalsContact CE3-CB 3.42Å; W133-A160 HydrophobicContact CG-CB 3.8Å; W133-A160 HydrophobicContact CZ3-CB 4.02Å; W133-D161 HydrophobicContact CH2-CB 4.46Å; W133-D161 WeakPolarHBondContact CH2-OD1 3.47Å; W133-D161 HydrophobicContact CZ2-CB 4.31Å; W133-D161 VanDerWaalsContact CZ2-CG 3.43Å; W133-D161 VanDerWaalsContact CZ2-OD1 3.23Å; W133-D161 WeakPolarHBondContact CZ2-OD1 3.3Å; W133-E163 HydrophobicContact CH2-CB 3.98Å; W133-E163 WeakPolarHBondContact CH2-O 3.41Å; W133-E163 VanDerWaalsContact CZ3-O 3.29Å; W133-E163 WeakPolarHBondContact CZ3-O 3.5Å; W133-P165 CarbonylContact C-O 3.59Å; W133-P165 HydrophobicContact CE3-CB 3.59Å; W133-P165 HydrophobicContact CZ3-CB 3.94Å
134	A	98.2	Very high	97.6	Very high	29 Å²	29	28.3 Å²	28.3	24%	0.24	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.9	-173.3	0	0	0	0	0	112.6	M52 V132 P165	M52-A134 HydrophobicContact CE-CB 4.21Å; M52-A134 HydrophobicContact SD-CB 4.36Å; V132-A134 PolarHBondContact O-N 3.44Å; A134-P165 WeakPolarHBondContact CB-O 3.45Å; A134-P165 PolarHBondContact N-O 3.18Å
135	N	96.9	Very high	97.6	Very high	108 Å²	108	27.3 Å²	27.3	58%	0.578	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.6	-178.4	-68.3	-18	0	0	0	113.2	W133 T137 P158	W133-N135 PolarHBondContact O-N 2.85Å; N135-T137 PolarHBondContact O-N 2.93Å; N135-P158 HydrophobicContact CB-CG 4.26Å; N135-P158 VanDerWaalsContact O-CD 3.22Å; N135-P158 WeakPolarHBondContact O-CD 3.39Å; N135-P158 VanDerWaalsContact O-CG 3.24Å; N135-P158 WeakPolarHBondContact O-CG 3.47Å
136	T	98	Very high	97.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	17%	0.168	C	C	.	.			trans	-65.4	126.5	175.3	-63	0	0	0	0	109.8	R35 L55 Q130 W133 Y156 P158	R35-T136 PolarHBondContact NH2-O 3.12Å; L55-T136 HydrophobicContact CD2-CG2 3.74Å; L55-T136 VanDerWaalsContact CD2-O 3.28Å; L55-T136 WeakPolarHBondContact CD2-O 3.26Å; Q130-T136 PolarHBondContact NE2-OG1 2.82Å; W133-T136 WeakPolarHBondContact CB-OG1 3.41Å; W133-T136 VanDerWaalsContact CD1-OG1 3.29Å; W133-T136 PolarHBondContact O-N 2.71Å; T136-Y156 HydrophobicContact CG2-CD1 4.15Å; T136-Y156 HydrophobicContact CG2-CG 4.5Å; T136-P158 WeakPolarHBondContact CB-O 3.29Å; T136-P158 PolarHBondContact OG1-O 3.47Å
137	T	97.1	Very high	97.4	Very high	61 Å²	61	28.7 Å²	28.7	37%	0.374	17%	0.174	S	C	.	.			trans	-109.5	-31.3	179.9	64.3	0	0	0	0	112.7	L55 K56 N135 A157	L55-T137 WeakPolarHBondContact CA-O 3.46Å; K56-T137 PolarHBondContact N-O 2.78Å; N135-T137 PolarHBondContact O-N 2.93Å; T137-A157 PolarHBondContact N-O 2.99Å; T137-A157 PolarHBondContact OG1-O 3.37Å
138	D	97.5	Very high	97.3	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.064	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.3	-170.2	-75.1	-124.1	0	0	0	110.5	K56 N58 L61 F87 Y156 A157	K56-D138 WeakPolarHBondContact O-CA 3.49Å; N58-D138 HydrophobicContact CB-CB 4.04Å; N58-D138 PolarHBondContact ND2-OD1 2.92Å; N58-D138 VanDerWaalsContact ND2-OD1 3.11Å; L61-D138 HydrophobicContact CD1-CB 4.02Å; F87-D138 HydrophobicContact CE2-CB 4.25Å; F87-D138 HydrophobicContact CZ-CB 3.79Å; F87-D138 WeakPolarHBondContact CZ-OD2 3.13Å; D138-Y156 WeakPolarHBondContact O-CA 3.49Å; D138-A157 HydrophobicContact CB-CB 4.33Å; D138-A157 PolarHBondContact N-O 2.63Å; D138-A157 PolarHBondContact O-N 2.9Å
139	I	98	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.7	175.7	-170.6	176.2	0	0	0	110	F28 H31 L55 K56 W57 N58 C141 C154 N155 Y156	F28-I139 HydrophobicContact CD2-CG2 3.71Å; F28-I139 HydrophobicContact CE2-CG2 3.73Å; H31-I139 HydrophobicContact CB-CD1 4.35Å; L55-I139 HydrophobicContact CB-CB 4.44Å; L55-I139 HydrophobicContact CB-CG2 3.78Å; L55-I139 HydrophobicContact CD1-CB 4.01Å; L55-I139 HydrophobicContact CD1-CD1 4.05Å; L55-I139 HydrophobicContact CD1-CG2 3.96Å; L55-I139 HydrophobicContact CG-CG2 4.5Å; K56-I139 PolarHBondContact O-N 3.36Å; W57-I139 CarbonylContact C-O 3.58Å; W57-I139 WeakPolarHBondContact CA-O 3.33Å; W57-I139 HydrophobicContact CE3-CG2 4.45Å; N58-I139 PolarHBondContact N-O 2.84Å; I139-C141 VanDerWaalsContact CD1-SG 3.59Å; I139-C154 HydrophobicContact CD1-CB 4.46Å; I139-N155 CarbonylContact C-O 3.51Å; I139-N155 WeakPolarHBondContact CA-O 3.32Å; I139-Y156 HydrophobicContact CB-CD1 4.44Å; I139-Y156 HydrophobicContact CD1-CD1 3.99Å; I139-Y156 HydrophobicContact CD1-CE1 3.44Å; I139-Y156 VanDerWaalsContact CD1-CE1 3.44Å; I139-Y156 HydrophobicContact CG1-CD1 3.95Å; I139-Y156 HydrophobicContact CG1-CE1 3.88Å
140	G	97	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	123.1	166.2	0	0	0	0	0	110.6	N155	G140-N155 PolarHBondContact N-O 3.41Å; G140-N155 PolarHBondContact O-N 3.23Å
141	C	97.8	Very high	97.1	Very high	8 Å²	8	41 Å²	41	5%	0.054	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	161.9	-176.8	-50.8	0	0	0	0	112	I27 W57 I139 V153 C154	I27-C141 HydrophobicContact CG2-CB 3.99Å; W57-C141 HydrophobicContact CH2-CB 4.04Å; W57-C141 WeakPolarHBondContact CH2-O 3.16Å; W57-C141 HydrophobicContact CZ3-CB 4.29Å; I139-C141 VanDerWaalsContact CD1-SG 3.59Å; C141-V153 CarbonylContact C-O 3.6Å; C141-V153 WeakPolarHBondContact CA-O 3.48Å; C141-V153 WeakPolarHBondContact CB-O 3.47Å; C141-C154 HydrophobicContact CB-CB 4.04Å; C141-C154 WeakPolarHBondContact CB-SG 3.36Å; C141-C154 WeakPolarHBondContact SG-CB 3.29Å; C141-C154 CovalentContact SG-SG 2.04Å; C141-C154 PolarHBondContact SG-SG 2.81Å
142	A	96.8	Very high	97	Very high	16 Å²	16	41 Å²	41	13%	0.132	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.5	164.8	0	0	0	0	0	109.7	A65 K66 V69 V152 V153	A65-A142 HydrophobicContact CB-CB 3.92Å; K66-A142 VanDerWaalsContact CA-CB 3.41Å; K66-A142 HydrophobicContact CB-CB 3.88Å; K66-A142 VanDerWaalsContact N-CB 3.31Å; V69-A142 HydrophobicContact CG1-CB 4.39Å; V69-A142 WeakPolarHBondContact CG1-O 3.02Å; V69-A142 HydrophobicContact CG2-CB 3.77Å; A142-V152 WeakPolarHBondContact O-CA 3.46Å; A142-V153 PolarHBondContact N-O 2.86Å; A142-V153 PolarHBondContact O-N 3.15Å
143	S	96.7	Very high	96.9	Very high	39 Å²	39	41 Å²	41	27%	0.273	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.5	170.4	65.7	0	0	0	0	110.3	T23 M151	T23-S143 WeakPolarHBondContact CG2-OG 3.39Å; S143-M151 CarbonylContact C-O 3.58Å; S143-M151 WeakPolarHBondContact CA-O 3.28Å; S143-M151 WeakPolarHBondContact CB-O 3.35Å
144	N	95.9	Very high	96.9	Very high	57 Å²	57	40.6 Å²	40.6	31%	0.305	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.3	169.6	-169.2	29.2	0	0	0	109.8	V69 C72 Y150 M151	V69-N144 HydrophobicContact CB-CB 3.66Å; V69-N144 HydrophobicContact CG2-CB 3.82Å; V69-N144 WeakPolarHBondContact O-CB 3.48Å; V69-N144 PolarHBondContact O-ND2 2.9Å; C72-N144 PolarHBondContact SG-ND2 3.42Å; N144-Y150 WeakPolarHBondContact O-CA 3.32Å; N144-M151 PolarHBondContact N-O 3.42Å; N144-M151 PolarHBondContact O-N 2.85Å
145	K	95.7	Very high	96.9	Very high	118 Å²	118	39.2 Å²	39.2	51%	0.513	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.3	169.2	-169.4	170.8	-177.3	173	0	108.6	G147 R149 Y150	K145-G147 WeakPolarHBondContact CE-O 3.22Å; K145-R149 CarbonylContact C-O 3.58Å; K145-Y150 HydrophobicContact CB-CE1 4.46Å
146	C	95.7	Very high	96.9	Very high	21 Å²	21	34.1 Å²	34.1	14%	0.142	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	92.7	-177.8	-65.6	0	0	0	0	108.6	C72 N148 R149	C72-C146 WeakPolarHBondContact CA-SG 3.44Å; C72-C146 HydrophobicContact CB-CB 3.6Å; C72-C146 WeakPolarHBondContact CB-SG 3.3Å; C72-C146 WeakPolarHBondContact SG-CA 3.49Å; C72-C146 WeakPolarHBondContact SG-CB 3.28Å; C72-C146 CovalentContact SG-SG 2.04Å; C72-C146 PolarHBondContact SG-SG 2.96Å; C146-N148 PolarHBondContact O-N 3.44Å; C146-R149 PolarHBondContact N-O 3.17Å; C146-R149 PolarHBondContact O-N 3.06Å
147	G	95.7	Very high	96.8	Very high	63 Å²	63	34 Å²	34	65%	0.649	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-119.1	-169.2	0	0	0	0	0	111.7	K145	K145-G147 WeakPolarHBondContact CE-O 3.22Å
148	N	95.2	Very high	96.7	Very high	155 Å²	155	32.7 Å²	32.7	83%	0.829	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.9	-179.6	-67.8	-23.7	0	0	0	113.8	C146	C146-N148 PolarHBondContact O-N 3.44Å
149	R	96.7	Very high	96.6	Very high	90 Å²	90	32.4 Å²	32.4	34%	0.34	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.9	-178.7	-62.5	174.8	72.9	88.4	-0.7	110.5	E96 H97 K145 C146	E96-R149 PolarHBondContact O-NH2 2.98Å; E96-R149 WeakPolarHBondContact OE1-CD 3.49Å; E96-R149 IonicContact OE1-CZ 3.77Å; E96-R149 IonicContact OE1-NE 2.82Å; E96-R149 PolarHBondContact OE1-NE 3.18Å; H97-R149 CarbonylContact O-C 3.58Å; H97-R149 WeakPolarHBondContact O-CA 3.38Å; K145-R149 CarbonylContact C-O 3.58Å; C146-R149 PolarHBondContact N-O 3.17Å; C146-R149 PolarHBondContact O-N 3.06Å
150	Y	97	Very high	96.5	Very high	75 Å²	75	34.1 Å²	34.1	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.8	165.7	-70	-90.7	0	0	0	108.5	E96 H97 T98 I100 I103 N144 K145	E96-Y150 CarbonylContact C-O 3.46Å; E96-Y150 WeakPolarHBondContact CA-O 3.5Å; E96-Y150 VanDerWaalsContact CB-O 3.25Å; E96-Y150 WeakPolarHBondContact CB-O 3.42Å; H97-Y150 PolarHBondContact N-O 3.01Å; H97-Y150 PolarHBondContact O-N 3.39Å; T98-Y150 WeakPolarHBondContact O-CD2 3.47Å; I100-Y150 HydrophobicContact CD1-CD1 4.01Å; I100-Y150 HydrophobicContact CG1-CD1 3.92Å; I100-Y150 HydrophobicContact CG1-CG 3.95Å; I103-Y150 WeakPolarHBondContact CD1-O 3.23Å; N144-Y150 WeakPolarHBondContact O-CA 3.32Å; K145-Y150 HydrophobicContact CB-CE1 4.46Å
151	M	97.1	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138	169.8	179.5	175.4	-77.6	0	0	108.5	V69 I73 L74 A95 E96 S143 N144	V69-M151 HydrophobicContact CG1-CG 4.33Å; I73-M151 VanDerWaalsContact C-CE 3.48Å; L74-M151 HydrophobicContact CB-CE 4.25Å; A95-M151 CarbonylContact O-C 3.59Å; A95-M151 WeakPolarHBondContact O-CA 3.44Å; E96-M151 HydrophobicContact CB-CB 4.36Å; S143-M151 CarbonylContact C-O 3.58Å; S143-M151 WeakPolarHBondContact CA-O 3.28Å; S143-M151 WeakPolarHBondContact CB-O 3.35Å; N144-M151 PolarHBondContact N-O 3.42Å; N144-M151 PolarHBondContact O-N 2.85Å
152	V	97.6	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.5	173.6	179.1	0	0	0	0	108.6	I27 V94 A95 I100 I103 W107 A142	I27-V152 HydrophobicContact CD1-CG1 3.81Å; I27-V152 HydrophobicContact CD1-CG2 4.17Å; V94-V152 WeakPolarHBondContact CA-O 3.4Å; A95-V152 PolarHBondContact N-O 3.08Å; A95-V152 VanDerWaalsContact N-O 3.12Å; A95-V152 PolarHBondContact O-N 3.09Å; I100-V152 HydrophobicContact CG1-CG2 4.21Å; I100-V152 HydrophobicContact CG2-CG2 4.12Å; I103-V152 HydrophobicContact CD1-CB 4.12Å; I103-V152 HydrophobicContact CD1-CG2 3.63Å; I103-V152 HydrophobicContact CG2-CB 4.21Å; I103-V152 HydrophobicContact CG2-CG2 4.46Å; W107-V152 HydrophobicContact CH2-CB 4.28Å; W107-V152 HydrophobicContact CH2-CG1 3.78Å; W107-V152 HydrophobicContact CZ3-CG1 4.37Å; A142-V152 WeakPolarHBondContact O-CA 3.46Å
153	V	97	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.5	168.5	175	0	0	0	0	107.5	A65 H68 V69 Q92 T93 V94 C141 A142	A65-V153 HydrophobicContact CB-CB 4.21Å; A65-V153 HydrophobicContact CB-CG1 3.96Å; A65-V153 WeakPolarHBondContact CB-O 3.3Å; H68-V153 HydrophobicContact CB-CB 4.46Å; H68-V153 HydrophobicContact CB-CG1 4.2Å; H68-V153 HydrophobicContact CB-CG2 4.05Å; V69-V153 HydrophobicContact CG1-CB 3.71Å; V69-V153 HydrophobicContact CG1-CG2 3.45Å; V69-V153 VanDerWaalsContact CG1-CG2 3.45Å; Q92-V153 HydrophobicContact CG-CG1 3.86Å; T93-V153 WeakPolarHBondContact O-CA 3.15Å; V94-V153 HydrophobicContact CB-CG2 4.46Å; V94-V153 HydrophobicContact CG1-CG2 3.9Å; V94-V153 HydrophobicContact CG2-CG1 4.44Å; V94-V153 HydrophobicContact CG2-CG2 4.12Å; C141-V153 CarbonylContact C-O 3.6Å; C141-V153 WeakPolarHBondContact CA-O 3.48Å; C141-V153 WeakPolarHBondContact CB-O 3.47Å; A142-V153 PolarHBondContact N-O 2.86Å; A142-V153 PolarHBondContact O-N 3.15Å
154	C	98	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.7	169.1	-74.7	0	0	0	0	109.6	Q92 T93 W107 I139 C141 Y156	Q92-C154 VanDerWaalsContact CA-O 3.27Å; Q92-C154 WeakPolarHBondContact CA-O 3.38Å; T93-C154 PolarHBondContact N-O 3.35Å; T93-C154 PolarHBondContact O-N 3.36Å; W107-C154 HydrophobicContact CH2-CB 4.43Å; I139-C154 HydrophobicContact CD1-CB 4.46Å; C141-C154 HydrophobicContact CB-CB 4.04Å; C141-C154 WeakPolarHBondContact CB-SG 3.36Å; C141-C154 WeakPolarHBondContact SG-CB 3.29Å; C141-C154 CovalentContact SG-SG 2.04Å; C141-C154 PolarHBondContact SG-SG 2.81Å; C154-Y156 HydrophobicContact CB-CD2 4.44Å; C154-Y156 HydrophobicContact CB-CE1 4.39Å; C154-Y156 HydrophobicContact CB-CE2 3.48Å; C154-Y156 VanDerWaalsContact CB-CE2 3.48Å; C154-Y156 VanDerWaalsContact CB-CZ 3.46Å; C154-Y156 WeakPolarHBondContact CB-OH 3.46Å; C154-Y156 VanDerWaalsContact O-CE2 3.22Å; C154-Y156 WeakPolarHBondContact O-CE2 3.28Å
155	N	97.2	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.3	170.6	-62.1	-46.9	0	0	0	109.5	L61 A65 V90 G91 Q92 I139 G140	L61-N155 HydrophobicContact CB-CB 4.06Å; L61-N155 HydrophobicContact CD2-CB 3.78Å; L61-N155 HydrophobicContact CG-CB 4.41Å; L61-N155 PolarHBondContact O-ND2 3.24Å; A65-N155 PolarHBondContact N-ND2 3.31Å; A65-N155 VanDerWaalsContact N-ND2 3.14Å; V90-N155 HydrophobicContact CG1-CB 3.93Å; G91-N155 CarbonylContact O-C 3.52Å; G91-N155 WeakPolarHBondContact O-CA 2.97Å; Q92-N155 WeakPolarHBondContact CG-OD1 3Å; Q92-N155 PolarHBondContact NE2-OD1 2.66Å; I139-N155 CarbonylContact C-O 3.51Å; I139-N155 WeakPolarHBondContact CA-O 3.32Å; G140-N155 PolarHBondContact N-O 3.41Å; G140-N155 PolarHBondContact O-N 3.23Å
156	Y	97.5	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.8	-172.3	-56.3	-96.1	0	0	0	109.8	H31 V90 G91 T93 Q130 T136 D138 I139 C154	H31-Y156 AromaticContact CD2-CE1 3.73Å; H31-Y156 AromaticContact NE2-CE1 3.6Å; H31-Y156 AromaticContact NE2-CZ 3.59Å; H31-Y156 PolarHBondContact NE2-OH 3.32Å; V90-Y156 CarbonylContact C-O 3.57Å; V90-Y156 VanDerWaalsContact CA-O 3.25Å; V90-Y156 WeakPolarHBondContact CA-O 3.42Å; G91-Y156 PolarHBondContact N-O 2.94Å; G91-Y156 PolarHBondContact O-N 3.43Å; T93-Y156 HydrophobicContact CG2-CE2 3.66Å; T93-Y156 WeakPolarHBondContact OG1-CE2 3.29Å; T93-Y156 PolarHBondContact OG1-OH 2.79Å; Q130-Y156 VanDerWaalsContact CD-CG 3.44Å; Q130-Y156 HydrophobicContact CG-CD1 3.84Å; Q130-Y156 HydrophobicContact CG-CD2 3.34Å; Q130-Y156 HydrophobicContact CG-CE1 3.99Å; Q130-Y156 HydrophobicContact CG-CE2 3.54Å; Q130-Y156 HydrophobicContact CG-CG 3.51Å; T136-Y156 HydrophobicContact CG2-CD1 4.15Å; T136-Y156 HydrophobicContact CG2-CG 4.5Å; D138-Y156 WeakPolarHBondContact O-CA 3.49Å; I139-Y156 HydrophobicContact CB-CD1 4.44Å; I139-Y156 HydrophobicContact CD1-CD1 3.99Å; I139-Y156 HydrophobicContact CD1-CE1 3.44Å; I139-Y156 VanDerWaalsContact CD1-CE1 3.44Å; I139-Y156 HydrophobicContact CG1-CD1 3.95Å; I139-Y156 HydrophobicContact CG1-CE1 3.88Å; C154-Y156 HydrophobicContact CB-CD2 4.44Å; C154-Y156 HydrophobicContact CB-CE1 4.39Å; C154-Y156 HydrophobicContact CB-CE2 3.48Å; C154-Y156 VanDerWaalsContact CB-CE2 3.48Å; C154-Y156 VanDerWaalsContact CB-CZ 3.46Å; C154-Y156 WeakPolarHBondContact CB-OH 3.46Å; C154-Y156 VanDerWaalsContact O-CE2 3.22Å; C154-Y156 WeakPolarHBondContact O-CE2 3.28Å
157	A	96.2	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128	178.5	0	0	0	0	0	112.2	L61 F87 V90 T137 D138	L61-A157 HydrophobicContact CD1-CB 3.83Å; L61-A157 HydrophobicContact CD2-CB 4.43Å; F87-A157 HydrophobicContact CB-CB 3.91Å; F87-A157 HydrophobicContact CD1-CB 3.8Å; F87-A157 HydrophobicContact CD2-CB 3.45Å; F87-A157 VanDerWaalsContact CD2-CB 3.45Å; F87-A157 HydrophobicContact CE1-CB 4.1Å; F87-A157 HydrophobicContact CE2-CB 3.77Å; F87-A157 HydrophobicContact CG-CB 3.47Å; F87-A157 VanDerWaalsContact CG-CB 3.47Å; F87-A157 HydrophobicContact CZ-CB 4.07Å; V90-A157 HydrophobicContact CG2-CB 4.49Å; T137-A157 PolarHBondContact N-O 2.99Å; T137-A157 PolarHBondContact OG1-O 3.37Å; D138-A157 HydrophobicContact CB-CB 4.33Å; D138-A157 PolarHBondContact N-O 2.63Å; D138-A157 PolarHBondContact O-N 2.9Å
158	P	95.4	Very high	96.7	Very high	33 Å²	33	51.6 Å²	51.6	21%	0.214	25%	0.251	C	S	.	.	S	Bend	cis	-58.2	157.1	-18.1	28.1	-36.4	0	0	0	111.9	S89 N135 T136	S89-P158 WeakPolarHBondContact O-CA 3.33Å; N135-P158 HydrophobicContact CB-CG 4.26Å; N135-P158 VanDerWaalsContact O-CD 3.22Å; N135-P158 WeakPolarHBondContact O-CD 3.39Å; N135-P158 VanDerWaalsContact O-CG 3.24Å; N135-P158 WeakPolarHBondContact O-CG 3.47Å; T136-P158 WeakPolarHBondContact CB-O 3.29Å; T136-P158 PolarHBondContact OG1-O 3.47Å
159	G	95.2	Very high	96.7	Very high	6 Å²	6	47.2 Å²	47.2	6%	0.062	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.9	161.5	171.2	0	0	0	0	0	112.3	S89 G91 W133	S89-G159 PolarHBondContact OG-N 3.01Å; G91-G159 VanDerWaalsContact N-CA 3.25Å; W133-G159 PolarHBondContact NE1-O 2.66Å
160	A	96	Very high	95.9	Very high	36 Å²	36	51.5 Å²	51.5	30%	0.298	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-70.3	152.5	169.9	0	0	0	0	0	112	Q130 W133	Q130-A160 HydrophobicContact CB-CB 4.26Å; W133-A160 HydrophobicContact CB-CB 4.2Å; W133-A160 HydrophobicContact CD2-CB 3.49Å; W133-A160 VanDerWaalsContact CD2-CB 3.49Å; W133-A160 HydrophobicContact CE3-CB 3.42Å; W133-A160 VanDerWaalsContact CE3-CB 3.42Å; W133-A160 HydrophobicContact CG-CB 3.8Å; W133-A160 HydrophobicContact CZ3-CB 4.02Å
161	D	94.3	Very high	95.8	Very high	85 Å²	85	50.3 Å²	50.3	46%	0.455	27%	0.271	S	S	.	.			trans	-123.5	-166.1	171.8	64.6	43.9	0	0	0	110.8	K129 W133 E163	K129-D161 PolarHBondContact NZ-O 2.83Å; W133-D161 HydrophobicContact CH2-CB 4.46Å; W133-D161 WeakPolarHBondContact CH2-OD1 3.47Å; W133-D161 HydrophobicContact CZ2-CB 4.31Å; W133-D161 VanDerWaalsContact CZ2-CG 3.43Å; W133-D161 VanDerWaalsContact CZ2-OD1 3.23Å; W133-D161 WeakPolarHBondContact CZ2-OD1 3.3Å; D161-E163 VanDerWaalsContact C-N 3.28Å; D161-E163 PolarHBondContact O-N 3.45Å; D161-E163 WeakPolarHBondContact OD1-CB 3.34Å; D161-E163 WeakPolarHBondContact OD1-CG 3.16Å; D161-E163 PolarHBondContact OD1-N 2.91Å
162	D	95.1	Very high	95.7	Very high	146 Å²	146	52.9 Å²	52.9	78%	0.781	29%	0.285	S	S	*	.	S	Bend	trans	-77.5	-9.4	-175.5	-66.1	-32.6	0	0	0	113.9	N119 K129	N119-D162 PolarHBondContact ND2-O 2.97Å; K129-D162 VanDerWaalsContact NZ-C 3.33Å; K129-D162 PolarHBondContact NZ-O 3.45Å
163	E	96.8	Very high	95.6	Very high	121 Å²	121	55.9 Å²	55.9	57%	0.565	30%	0.301	S	S	*	.	S	Bend	trans	-69.2	173.8	176.1	-63.1	-64.9	157.6	0	0	112.3	K129 W133 D161	K129-E163 WeakPolarHBondContact CE-O 3.48Å; K129-E163 PolarHBondContact NZ-O 3.36Å; W133-E163 HydrophobicContact CH2-CB 3.98Å; W133-E163 WeakPolarHBondContact CH2-O 3.41Å; W133-E163 VanDerWaalsContact CZ3-O 3.29Å; W133-E163 WeakPolarHBondContact CZ3-O 3.5Å; D161-E163 VanDerWaalsContact C-N 3.28Å; D161-E163 PolarHBondContact O-N 3.45Å; D161-E163 WeakPolarHBondContact OD1-CB 3.34Å; D161-E163 WeakPolarHBondContact OD1-CG 3.16Å; D161-E163 PolarHBondContact OD1-N 2.91Å
164	R	98	Very high	95.6	Very high	109 Å²	109	59.2 Å²	59.2	41%	0.411	32%	0.318	S	S	.	.			trans	-63.6	138.3	172.3	-69.7	178.5	-179.2	76.6	0.3	109.9	L116 D117 N119 Y166	L116-R164 HydrophobicContact CD1-CB 4.28Å; L116-R164 VanDerWaalsContact O-CD 3.28Å; L116-R164 WeakPolarHBondContact O-CD 3.49Å; L116-R164 PolarHBondContact O-NE 3.33Å; D117-R164 PolarHBondContact O-NH2 3.01Å; N119-R164 HydrophobicContact CB-CG 3.85Å; R164-Y166 PolarHBondContact O-N 3.13Å
165	P	98.2	Very high	95.4	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.019	34%	0.338	C	S	.	.	S	Bend	trans	-68.4	-19.9	-175.9	30.1	-37.3	0	0	0	114	Y114 L116 K129 V132 W133 A134	Y114-P165 HydrophobicContact CE1-CG 3.96Å; Y114-P165 WeakPolarHBondContact OH-CD 3.5Å; L116-P165 HydrophobicContact CD1-CG 4.05Å; K129-P165 HydrophobicContact CB-CB 4.46Å; K129-P165 HydrophobicContact CG-CG 4.43Å; V132-P165 HydrophobicContact CG2-CB 3.78Å; V132-P165 HydrophobicContact CG2-CG 3.84Å; W133-P165 CarbonylContact C-O 3.59Å; W133-P165 HydrophobicContact CE3-CB 3.59Å; W133-P165 HydrophobicContact CZ3-CB 3.94Å; A134-P165 WeakPolarHBondContact CB-O 3.45Å; A134-P165 PolarHBondContact N-O 3.18Å
166	Y	98.5	Very high	95.3	Very high	7 Å²	7	67.1 Å²	67.1	3%	0.027	36%	0.361	C	S	.	.	S	Bend	trans	-159.6	160.2	174.6	54.6	-94.5	0	0	0	112.1	V38 P47 A49 M52 L116 V132 R164	V38-Y166 HydrophobicContact CG1-CD1 4.17Å; V38-Y166 HydrophobicContact CG1-CD2 4.43Å; V38-Y166 HydrophobicContact CG1-CE1 3.66Å; V38-Y166 HydrophobicContact CG1-CE2 3.92Å; V38-Y166 VanDerWaalsContact CG1-CZ 3.5Å; P47-Y166 WeakPolarHBondContact O-CE2 3.35Å; P47-Y166 PolarHBondContact O-OH 2.63Å; A49-Y166 HydrophobicContact CB-CD2 3.48Å; A49-Y166 VanDerWaalsContact CB-CD2 3.48Å; A49-Y166 HydrophobicContact CB-CE2 3.92Å; A49-Y166 HydrophobicContact CB-CG 3.86Å; M52-Y166 HydrophobicContact CE-CD1 3.78Å; M52-Y166 HydrophobicContact CE-CG 3.88Å; L116-Y166 HydrophobicContact CD1-CD2 4.46Å; L116-Y166 HydrophobicContact CD1-CE1 4.27Å; L116-Y166 HydrophobicContact CD1-CE2 4.18Å; L116-Y166 HydrophobicContact CD2-CD2 4.07Å; L116-Y166 HydrophobicContact CD2-CE2 3.36Å; L116-Y166 HydrophobicContact CG-CE2 4.43Å; V132-Y166 HydrophobicContact CB-CD1 4.17Å; V132-Y166 HydrophobicContact CB-CE1 4.13Å; V132-Y166 HydrophobicContact CG2-CD1 3.92Å; V132-Y166 HydrophobicContact CG2-CE1 3.73Å; R164-Y166 PolarHBondContact O-N 3.13Å
167	E	97.7	Very high	95.1	Very high	129 Å²	129	71.9 Å²	71.9	60%	0.603	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-75.6	130.3	167.2	-70.6	177.7	-150.7	0	0	110.5	A49 K50	A49-E167 WeakPolarHBondContact CA-O 3.1Å; K50-E167 HydrophobicContact CB-CB 4.26Å; K50-E167 WeakPolarHBondContact CB-O 3.14Å; K50-E167 HydrophobicContact CD-CB 4.37Å; K50-E167 WeakPolarHBondContact CD-OE2 3.46Å; K50-E167 PolarHBondContact N-O 2.85Å; K50-E167 IonicContact NZ-OE2 2.71Å; K50-E167 PolarHBondContact NZ-OE2 3.4Å
168	K	96	Very high	95.1	Very high	88 Å²	88	77.4 Å²	77.4	38%	0.383	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-68.4	139.3	172.5	-179	169.9	66.7	-177.6	0	110.8	P47 K48 L116 D117	P47-K168 HydrophobicContact CB-CB 4.46Å; P47-K168 HydrophobicContact CB-CD 3.44Å; P47-K168 VanDerWaalsContact CB-CD 3.44Å; P47-K168 HydrophobicContact CB-CG 3.7Å; P47-K168 HydrophobicContact CG-CD 4.01Å; K48-K168 CarbonylContact O-C 3.58Å; K48-K168 WeakPolarHBondContact O-CA 3.3Å; L116-K168 HydrophobicContact CD2-CB 4.27Å; D117-K168 IonicContact OD1-NZ 2.66Å; D117-K168 PolarHBondContact OD1-NZ 2.87Å; D117-K168 IonicContact OD2-NZ 3.31Å; D117-K168 PolarHBondContact OD2-NZ 2.71Å
169	D	94.3	Very high	95	Very high	63 Å²	63	81.1 Å²	81.1	34%	0.337	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-75.4	123.9	168.2	-161.2	21.6	0	0	0	108.5	K48 K50	K48-D169 HydrophobicContact CB-CB 4.25Å; K48-D169 HydrophobicContact CD-CB 4.08Å; K48-D169 WeakPolarHBondContact CD-OD2 3.11Å; K48-D169 VanDerWaalsContact CE-OD2 3.3Å; K48-D169 WeakPolarHBondContact CE-OD2 3.36Å; K48-D169 HydrophobicContact CG-CB 4.05Å; K48-D169 IonicContact NZ-OD2 2.63Å; K48-D169 PolarHBondContact NZ-OD2 2.88Å; K48-D169 PolarHBondContact O-N 3.5Å; K50-D169 HydrophobicContact CB-CB 4.32Å
170	S	80.3	Confident	95	Very high	180 Å²	180	87.9 Å²	87.9	100%	1.259	47%	0.467	S	S	*	.			trans	-73.1	0	-176.3	-59.1	0	0	0	0	113.3

Retrieved 170 of 170 residues in 125.5 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).